USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 576 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 144 MET CE :methyl -163:sc= -1.45 (180deg=-2.62) USER MOD Set 1.2: B1919 TYR OH : rot 180:sc= -0.252 USER MOD Set 2.1: A 124 MET CE :methyl -167:sc= -4.35 (180deg=-4.79!) USER MOD Set 2.2: B1916 TYR OH : rot -178:sc= -0.184 USER MOD Single : A 81 SER OG : rot -12:sc= 0.651 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.115 F(o=-0.67,f=-0.11) USER MOD Single : A 109 MET CE :methyl 147:sc=-0.00836 (180deg=-1.26) USER MOD Single : A 110 THR OG1 : rot -109:sc= 0.89 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.316 F(o=-1.3,f=-0.32) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -117:sc= -0.392 USER MOD Single : A 137 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 138 TYR OH : rot 150:sc= -1.5 USER MOD Single : A 145 MET CE :methyl 169:sc= -8.2! (180deg=-8.87!) USER MOD Single : B1908 SER OG : rot 87:sc= -4.91! USER MOD Single : B1913 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 81 0.493 10.016 2.124 1.00 0.00 N ATOM 87 CA SER A 81 0.735 8.678 1.591 1.00 0.00 C ATOM 88 C SER A 81 1.709 7.898 2.469 1.00 0.00 C ATOM 89 O SER A 81 1.526 6.706 2.700 1.00 0.00 O ATOM 90 CB SER A 81 1.279 8.766 0.161 1.00 0.00 C ATOM 91 OG SER A 81 1.877 10.027 -0.081 1.00 0.00 O ATOM 0 HA SER A 81 -0.217 8.146 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.012 7.976 -0.002 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.469 8.602 -0.550 1.00 0.00 H new ATOM 0 HG SER A 81 1.655 10.640 0.650 1.00 0.00 H new ATOM 97 N GLU A 82 2.745 8.577 2.947 1.00 0.00 N ATOM 98 CA GLU A 82 3.752 7.944 3.791 1.00 0.00 C ATOM 99 C GLU A 82 3.166 7.497 5.128 1.00 0.00 C ATOM 100 O GLU A 82 3.269 6.330 5.501 1.00 0.00 O ATOM 101 CB GLU A 82 4.919 8.902 4.029 1.00 0.00 C ATOM 102 CG GLU A 82 6.228 8.198 4.347 1.00 0.00 C ATOM 103 CD GLU A 82 7.425 9.125 4.264 1.00 0.00 C ATOM 104 OE1 GLU A 82 7.350 10.126 3.521 1.00 0.00 O1- ATOM 105 OE2 GLU A 82 8.437 8.848 4.941 1.00 0.00 O ATOM 0 H GLU A 82 2.910 9.567 2.764 1.00 0.00 H new ATOM 0 HA GLU A 82 4.111 7.057 3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.055 9.522 3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.667 9.571 4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.173 7.771 5.348 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.367 7.368 3.654 1.00 0.00 H new ATOM 112 N GLU A 83 2.563 8.434 5.852 1.00 0.00 N ATOM 113 CA GLU A 83 1.976 8.135 7.155 1.00 0.00 C ATOM 114 C GLU A 83 0.757 7.224 7.031 1.00 0.00 C ATOM 115 O GLU A 83 0.506 6.390 7.901 1.00 0.00 O ATOM 116 CB GLU A 83 1.584 9.431 7.866 1.00 0.00 C ATOM 117 CG GLU A 83 1.416 9.272 9.369 1.00 0.00 C ATOM 118 CD GLU A 83 1.371 10.603 10.093 1.00 0.00 C ATOM 119 OE1 GLU A 83 0.581 11.477 9.679 1.00 0.00 O ATOM 120 OE2 GLU A 83 2.125 10.771 11.074 1.00 0.00 O1- ATOM 0 H GLU A 83 2.468 9.407 5.560 1.00 0.00 H new ATOM 0 HA GLU A 83 2.729 7.609 7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.345 10.187 7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.651 9.801 7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.498 8.721 9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.240 8.676 9.762 1.00 0.00 H new ATOM 127 N GLU A 84 -0.003 7.390 5.954 1.00 0.00 N ATOM 128 CA GLU A 84 -1.198 6.582 5.735 1.00 0.00 C ATOM 129 C GLU A 84 -0.837 5.162 5.309 1.00 0.00 C ATOM 130 O GLU A 84 -1.343 4.188 5.866 1.00 0.00 O ATOM 131 CB GLU A 84 -2.089 7.231 4.674 1.00 0.00 C ATOM 132 CG GLU A 84 -2.788 8.493 5.153 1.00 0.00 C ATOM 133 CD GLU A 84 -3.646 8.255 6.380 1.00 0.00 C ATOM 134 OE1 GLU A 84 -4.029 7.091 6.619 1.00 0.00 O ATOM 135 OE2 GLU A 84 -3.935 9.233 7.102 1.00 0.00 O1- ATOM 0 H GLU A 84 0.186 8.074 5.221 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.741 6.528 6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.483 7.471 3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.840 6.510 4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.041 9.254 5.379 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.411 8.886 4.349 1.00 0.00 H new ATOM 142 N LEU A 85 0.034 5.054 4.313 1.00 0.00 N ATOM 143 CA LEU A 85 0.461 3.756 3.802 1.00 0.00 C ATOM 144 C LEU A 85 1.113 2.918 4.899 1.00 0.00 C ATOM 145 O LEU A 85 0.757 1.757 5.100 1.00 0.00 O ATOM 146 CB LEU A 85 1.429 3.955 2.635 1.00 0.00 C ATOM 147 CG LEU A 85 2.089 2.686 2.094 1.00 0.00 C ATOM 148 CD1 LEU A 85 1.044 1.738 1.531 1.00 0.00 C ATOM 149 CD2 LEU A 85 3.118 3.039 1.033 1.00 0.00 C ATOM 0 H LEU A 85 0.460 5.852 3.842 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.419 3.216 3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.891 4.438 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.213 4.643 2.951 1.00 0.00 H new ATOM 0 HG LEU A 85 2.598 2.182 2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.533 0.841 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.341 1.462 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.506 2.229 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.580 2.126 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.629 3.563 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.884 3.681 1.468 1.00 0.00 H new ATOM 161 N ILE A 86 2.070 3.512 5.605 1.00 0.00 N ATOM 162 CA ILE A 86 2.767 2.814 6.679 1.00 0.00 C ATOM 163 C ILE A 86 1.790 2.370 7.766 1.00 0.00 C ATOM 164 O ILE A 86 1.913 1.273 8.309 1.00 0.00 O ATOM 165 CB ILE A 86 3.870 3.703 7.299 1.00 0.00 C ATOM 166 CG1 ILE A 86 4.851 4.154 6.217 1.00 0.00 C ATOM 167 CG2 ILE A 86 4.612 2.964 8.407 1.00 0.00 C ATOM 168 CD1 ILE A 86 5.632 5.394 6.589 1.00 0.00 C ATOM 0 H ILE A 86 2.380 4.472 5.453 1.00 0.00 H new ATOM 0 HA ILE A 86 3.235 1.931 6.244 1.00 0.00 H new ATOM 0 HB ILE A 86 3.394 4.580 7.737 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.549 3.343 6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.301 4.344 5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.382 3.613 8.825 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.909 2.683 9.191 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.077 2.067 7.998 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.308 5.656 5.775 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.942 6.219 6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.210 5.202 7.493 1.00 0.00 H new ATOM 180 N GLU A 87 0.820 3.225 8.073 1.00 0.00 N ATOM 181 CA GLU A 87 -0.177 2.913 9.092 1.00 0.00 C ATOM 182 C GLU A 87 -1.101 1.798 8.618 1.00 0.00 C ATOM 183 O GLU A 87 -1.391 0.856 9.358 1.00 0.00 O ATOM 184 CB GLU A 87 -0.997 4.158 9.433 1.00 0.00 C ATOM 185 CG GLU A 87 -1.918 3.969 10.627 1.00 0.00 C ATOM 186 CD GLU A 87 -3.245 4.683 10.458 1.00 0.00 C ATOM 187 OE1 GLU A 87 -3.289 5.684 9.712 1.00 0.00 O1- ATOM 188 OE2 GLU A 87 -4.239 4.242 11.071 1.00 0.00 O ATOM 0 H GLU A 87 0.703 4.137 7.632 1.00 0.00 H new ATOM 0 HA GLU A 87 0.346 2.576 9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.318 4.986 9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.593 4.440 8.565 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.099 2.905 10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.423 4.338 11.525 1.00 0.00 H new ATOM 195 N ALA A 88 -1.558 1.910 7.375 1.00 0.00 N ATOM 196 CA ALA A 88 -2.446 0.913 6.797 1.00 0.00 C ATOM 197 C ALA A 88 -1.777 -0.454 6.762 1.00 0.00 C ATOM 198 O ALA A 88 -2.407 -1.473 7.047 1.00 0.00 O ATOM 199 CB ALA A 88 -2.867 1.331 5.398 1.00 0.00 C ATOM 0 H ALA A 88 -1.327 2.682 6.750 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.334 0.841 7.425 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.531 0.576 4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.388 2.287 5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.984 1.430 4.767 1.00 0.00 H new ATOM 205 N PHE A 89 -0.494 -0.468 6.419 1.00 0.00 N ATOM 206 CA PHE A 89 0.261 -1.711 6.356 1.00 0.00 C ATOM 207 C PHE A 89 0.532 -2.243 7.751 1.00 0.00 C ATOM 208 O PHE A 89 0.528 -3.452 7.983 1.00 0.00 O ATOM 209 CB PHE A 89 1.574 -1.511 5.598 1.00 0.00 C ATOM 210 CG PHE A 89 1.463 -1.777 4.123 1.00 0.00 C ATOM 211 CD1 PHE A 89 0.771 -2.884 3.649 1.00 0.00 C ATOM 212 CD2 PHE A 89 2.052 -0.920 3.209 1.00 0.00 C ATOM 213 CE1 PHE A 89 0.670 -3.127 2.293 1.00 0.00 C ATOM 214 CE2 PHE A 89 1.954 -1.158 1.853 1.00 0.00 C ATOM 215 CZ PHE A 89 1.263 -2.263 1.393 1.00 0.00 C ATOM 0 H PHE A 89 0.043 0.366 6.181 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.338 -2.444 5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.919 -0.488 5.749 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.332 -2.169 6.022 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.306 -3.563 4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.595 -0.055 3.561 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.128 -3.991 1.937 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.417 -0.480 1.151 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.187 -2.451 0.332 1.00 0.00 H new ATOM 225 N LYS A 90 0.756 -1.325 8.682 1.00 0.00 N ATOM 226 CA LYS A 90 1.019 -1.682 10.075 1.00 0.00 C ATOM 227 C LYS A 90 -0.091 -2.580 10.614 1.00 0.00 C ATOM 228 O LYS A 90 0.158 -3.498 11.395 1.00 0.00 O ATOM 229 CB LYS A 90 1.137 -0.424 10.938 1.00 0.00 C ATOM 230 CG LYS A 90 2.193 -0.531 12.026 1.00 0.00 C ATOM 231 CD LYS A 90 3.483 0.165 11.623 1.00 0.00 C ATOM 232 CE LYS A 90 4.678 -0.390 12.382 1.00 0.00 C ATOM 233 NZ LYS A 90 5.645 0.679 12.751 1.00 0.00 N1+ ATOM 0 H LYS A 90 0.761 -0.322 8.499 1.00 0.00 H new ATOM 0 HA LYS A 90 1.963 -2.225 10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.372 0.426 10.297 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.171 -0.218 11.399 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.813 -0.090 12.947 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.396 -1.581 12.236 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.643 0.044 10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.395 1.235 11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.333 -0.895 13.284 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.181 -1.139 11.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.445 0.260 13.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.994 1.144 11.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.172 1.381 13.356 1.00 0.00 H new ATOM 247 N VAL A 91 -1.314 -2.313 10.170 1.00 0.00 N ATOM 248 CA VAL A 91 -2.465 -3.101 10.585 1.00 0.00 C ATOM 249 C VAL A 91 -2.337 -4.540 10.092 1.00 0.00 C ATOM 250 O VAL A 91 -2.838 -5.470 10.724 1.00 0.00 O ATOM 251 CB VAL A 91 -3.779 -2.500 10.052 1.00 0.00 C ATOM 252 CG1 VAL A 91 -4.979 -3.233 10.632 1.00 0.00 C ATOM 253 CG2 VAL A 91 -3.850 -1.012 10.364 1.00 0.00 C ATOM 0 H VAL A 91 -1.532 -1.556 9.522 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.490 -3.088 11.675 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.799 -2.623 8.969 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.897 -2.793 10.243 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.933 -4.285 10.351 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.968 -3.147 11.719 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.785 -0.604 9.980 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.805 -0.864 11.443 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.011 -0.501 9.893 1.00 0.00 H new ATOM 263 N PHE A 92 -1.656 -4.716 8.960 1.00 0.00 N ATOM 264 CA PHE A 92 -1.457 -6.041 8.386 1.00 0.00 C ATOM 265 C PHE A 92 -0.032 -6.532 8.630 1.00 0.00 C ATOM 266 O PHE A 92 0.506 -7.314 7.846 1.00 0.00 O ATOM 267 CB PHE A 92 -1.748 -6.018 6.884 1.00 0.00 C ATOM 268 CG PHE A 92 -3.174 -5.681 6.555 1.00 0.00 C ATOM 269 CD1 PHE A 92 -4.200 -6.550 6.889 1.00 0.00 C ATOM 270 CD2 PHE A 92 -3.488 -4.494 5.912 1.00 0.00 C ATOM 271 CE1 PHE A 92 -5.513 -6.242 6.587 1.00 0.00 C ATOM 272 CE2 PHE A 92 -4.799 -4.181 5.607 1.00 0.00 C ATOM 273 CZ PHE A 92 -5.813 -5.056 5.945 1.00 0.00 C ATOM 0 H PHE A 92 -1.234 -3.957 8.425 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.149 -6.728 8.874 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.092 -5.291 6.406 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.506 -6.993 6.460 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.971 -7.478 7.391 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.699 -3.806 5.646 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.304 -6.928 6.853 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.031 -3.253 5.105 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.838 -4.813 5.708 1.00 0.00 H new ATOM 352 N GLY A 98 7.719 -5.942 10.158 1.00 0.00 N ATOM 353 CA GLY A 98 7.149 -5.006 9.207 1.00 0.00 C ATOM 354 C GLY A 98 7.176 -5.523 7.782 1.00 0.00 C ATOM 355 O GLY A 98 7.499 -4.783 6.853 1.00 0.00 O ATOM 0 HA2 GLY A 98 6.119 -4.790 9.490 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.697 -4.065 9.257 1.00 0.00 H new ATOM 359 N LEU A 99 6.826 -6.794 7.605 1.00 0.00 N ATOM 360 CA LEU A 99 6.802 -7.404 6.279 1.00 0.00 C ATOM 361 C LEU A 99 5.418 -7.964 5.975 1.00 0.00 C ATOM 362 O LEU A 99 4.680 -8.345 6.884 1.00 0.00 O ATOM 363 CB LEU A 99 7.853 -8.512 6.176 1.00 0.00 C ATOM 364 CG LEU A 99 9.299 -8.056 6.389 1.00 0.00 C ATOM 365 CD1 LEU A 99 10.094 -9.119 7.134 1.00 0.00 C ATOM 366 CD2 LEU A 99 9.957 -7.731 5.055 1.00 0.00 C ATOM 0 H LEU A 99 6.555 -7.421 8.363 1.00 0.00 H new ATOM 0 HA LEU A 99 7.037 -6.633 5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.619 -9.283 6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.775 -8.975 5.192 1.00 0.00 H new ATOM 0 HG LEU A 99 9.287 -7.151 6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.119 -8.775 7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.636 -9.302 8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 99 10.098 -10.043 6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.984 -7.409 5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.955 -8.619 4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.403 -6.933 4.561 1.00 0.00 H new ATOM 378 N ILE A 100 5.064 -8.004 4.695 1.00 0.00 N ATOM 379 CA ILE A 100 3.762 -8.511 4.286 1.00 0.00 C ATOM 380 C ILE A 100 3.872 -9.386 3.039 1.00 0.00 C ATOM 381 O ILE A 100 4.478 -8.993 2.042 1.00 0.00 O ATOM 382 CB ILE A 100 2.773 -7.353 4.026 1.00 0.00 C ATOM 383 CG1 ILE A 100 1.372 -7.900 3.760 1.00 0.00 C ATOM 384 CG2 ILE A 100 3.243 -6.484 2.864 1.00 0.00 C ATOM 385 CD1 ILE A 100 0.311 -6.825 3.682 1.00 0.00 C ATOM 0 H ILE A 100 5.658 -7.693 3.927 1.00 0.00 H new ATOM 0 HA ILE A 100 3.382 -9.122 5.105 1.00 0.00 H new ATOM 0 HB ILE A 100 2.737 -6.728 4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.380 -8.460 2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.109 -8.603 4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.529 -5.676 2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.221 -6.063 3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.315 -7.091 1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.659 -7.284 3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.275 -6.280 4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.551 -6.135 2.873 1.00 0.00 H new ATOM 397 N SER A 101 3.282 -10.577 3.105 1.00 0.00 N ATOM 398 CA SER A 101 3.314 -11.512 1.986 1.00 0.00 C ATOM 399 C SER A 101 2.450 -11.014 0.831 1.00 0.00 C ATOM 400 O SER A 101 1.357 -10.489 1.041 1.00 0.00 O ATOM 401 CB SER A 101 2.840 -12.896 2.438 1.00 0.00 C ATOM 402 OG SER A 101 3.637 -13.919 1.867 1.00 0.00 O ATOM 0 H SER A 101 2.776 -10.917 3.923 1.00 0.00 H new ATOM 0 HA SER A 101 4.344 -11.585 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.883 -12.961 3.525 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.798 -13.039 2.151 1.00 0.00 H new ATOM 0 HG SER A 101 3.315 -14.793 2.172 1.00 0.00 H new ATOM 408 N ALA A 102 2.951 -11.183 -0.389 1.00 0.00 N ATOM 409 CA ALA A 102 2.229 -10.751 -1.580 1.00 0.00 C ATOM 410 C ALA A 102 1.017 -11.639 -1.848 1.00 0.00 C ATOM 411 O ALA A 102 -0.014 -11.169 -2.329 1.00 0.00 O ATOM 412 CB ALA A 102 3.161 -10.748 -2.785 1.00 0.00 C ATOM 0 H ALA A 102 3.855 -11.616 -0.578 1.00 0.00 H new ATOM 0 HA ALA A 102 1.867 -9.738 -1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.612 -10.424 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.990 -10.064 -2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.549 -11.754 -2.947 1.00 0.00 H new ATOM 418 N ALA A 103 1.147 -12.925 -1.537 1.00 0.00 N ATOM 419 CA ALA A 103 0.063 -13.878 -1.750 1.00 0.00 C ATOM 420 C ALA A 103 -1.196 -13.465 -0.993 1.00 0.00 C ATOM 421 O ALA A 103 -2.276 -13.365 -1.575 1.00 0.00 O ATOM 422 CB ALA A 103 0.498 -15.274 -1.330 1.00 0.00 C ATOM 0 H ALA A 103 1.993 -13.331 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.173 -13.885 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.320 -15.975 -1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.361 -15.579 -1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.765 -15.269 -0.273 1.00 0.00 H new ATOM 428 N GLU A 104 -1.052 -13.228 0.306 1.00 0.00 N ATOM 429 CA GLU A 104 -2.180 -12.827 1.139 1.00 0.00 C ATOM 430 C GLU A 104 -2.571 -11.379 0.869 1.00 0.00 C ATOM 431 O GLU A 104 -3.752 -11.055 0.750 1.00 0.00 O ATOM 432 CB GLU A 104 -1.839 -13.006 2.618 1.00 0.00 C ATOM 433 CG GLU A 104 -0.661 -12.164 3.076 1.00 0.00 C ATOM 434 CD GLU A 104 0.044 -12.753 4.282 1.00 0.00 C ATOM 435 OE1 GLU A 104 -0.100 -13.972 4.517 1.00 0.00 O ATOM 436 OE2 GLU A 104 0.740 -11.997 4.992 1.00 0.00 O1- ATOM 0 H GLU A 104 -0.166 -13.307 0.805 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.027 -13.466 0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.713 -12.750 3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.619 -14.057 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.051 -12.065 2.256 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.009 -11.160 3.318 1.00 0.00 H new ATOM 443 N LEU A 105 -1.569 -10.510 0.778 1.00 0.00 N ATOM 444 CA LEU A 105 -1.799 -9.089 0.527 1.00 0.00 C ATOM 445 C LEU A 105 -2.623 -8.872 -0.739 1.00 0.00 C ATOM 446 O LEU A 105 -3.413 -7.932 -0.823 1.00 0.00 O ATOM 447 CB LEU A 105 -0.462 -8.351 0.412 1.00 0.00 C ATOM 448 CG LEU A 105 -0.559 -6.865 0.050 1.00 0.00 C ATOM 449 CD1 LEU A 105 -1.536 -6.148 0.970 1.00 0.00 C ATOM 450 CD2 LEU A 105 0.814 -6.213 0.115 1.00 0.00 C ATOM 0 H LEU A 105 -0.586 -10.765 0.875 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.363 -8.689 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.067 -8.442 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.146 -8.852 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.933 -6.784 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.589 -5.095 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.524 -6.598 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.196 -6.237 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.728 -5.158 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.214 -6.307 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.485 -6.706 -0.588 1.00 0.00 H new ATOM 462 N ARG A 106 -2.433 -9.743 -1.723 1.00 0.00 N ATOM 463 CA ARG A 106 -3.160 -9.637 -2.981 1.00 0.00 C ATOM 464 C ARG A 106 -4.654 -9.862 -2.770 1.00 0.00 C ATOM 465 O ARG A 106 -5.477 -9.055 -3.196 1.00 0.00 O ATOM 466 CB ARG A 106 -2.617 -10.648 -3.993 1.00 0.00 C ATOM 467 CG ARG A 106 -3.312 -10.590 -5.345 1.00 0.00 C ATOM 468 CD ARG A 106 -2.353 -10.909 -6.482 1.00 0.00 C ATOM 469 NE ARG A 106 -2.529 -12.273 -6.982 1.00 0.00 N ATOM 470 CZ ARG A 106 -1.983 -13.353 -6.421 1.00 0.00 C ATOM 471 NH1 ARG A 106 -1.222 -13.243 -5.337 1.00 0.00 N1+ ATOM 472 NH2 ARG A 106 -2.200 -14.550 -6.947 1.00 0.00 N ATOM 0 H ARG A 106 -1.784 -10.528 -1.674 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.017 -8.629 -3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.551 -10.471 -4.134 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.722 -11.652 -3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.142 -11.297 -5.359 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.737 -9.597 -5.494 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.508 -10.202 -7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.327 -10.779 -6.138 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.106 -12.406 -7.812 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.050 -12.326 -4.925 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.810 -14.076 -4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.783 -14.644 -7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.784 -15.378 -6.520 1.00 0.00 H new ATOM 486 N HIS A 107 -4.996 -10.963 -2.110 1.00 0.00 N ATOM 487 CA HIS A 107 -6.392 -11.295 -1.846 1.00 0.00 C ATOM 488 C HIS A 107 -7.040 -10.266 -0.923 1.00 0.00 C ATOM 489 O HIS A 107 -8.193 -9.881 -1.119 1.00 0.00 O ATOM 490 CB HIS A 107 -6.493 -12.690 -1.224 1.00 0.00 C ATOM 491 CG HIS A 107 -7.899 -13.132 -0.965 1.00 0.00 C ATOM 492 ND1 HIS A 107 -8.816 -12.690 -0.072 1.00 0.00 N flip ATOM 493 CD2 HIS A 107 -8.510 -14.149 -1.668 1.00 0.00 C flip ATOM 494 CE1 HIS A 107 -9.952 -13.441 -0.251 1.00 0.00 C flip ATOM 495 NE2 HIS A 107 -9.742 -14.313 -1.220 1.00 0.00 N flip ATOM 0 H HIS A 107 -4.326 -11.641 -1.748 1.00 0.00 H new ATOM 0 HA HIS A 107 -6.926 -11.284 -2.796 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.011 -13.409 -1.886 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.939 -12.701 -0.285 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.053 -14.722 -2.461 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.869 -13.335 0.310 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.416 -14.997 -1.564 1.00 0.00 H new ATOM 504 N VAL A 108 -6.295 -9.832 0.087 1.00 0.00 N ATOM 505 CA VAL A 108 -6.796 -8.854 1.048 1.00 0.00 C ATOM 506 C VAL A 108 -7.263 -7.572 0.359 1.00 0.00 C ATOM 507 O VAL A 108 -8.441 -7.219 0.415 1.00 0.00 O ATOM 508 CB VAL A 108 -5.714 -8.501 2.093 1.00 0.00 C ATOM 509 CG1 VAL A 108 -6.267 -7.562 3.158 1.00 0.00 C ATOM 510 CG2 VAL A 108 -5.149 -9.766 2.728 1.00 0.00 C ATOM 0 H VAL A 108 -5.339 -10.142 0.263 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.649 -9.313 1.548 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.904 -7.984 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.484 -7.330 3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.611 -6.641 2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.102 -8.042 3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.389 -9.497 3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.951 -10.315 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.703 -10.393 1.956 1.00 0.00 H new ATOM 520 N MET A 109 -6.329 -6.873 -0.274 1.00 0.00 N ATOM 521 CA MET A 109 -6.636 -5.620 -0.954 1.00 0.00 C ATOM 522 C MET A 109 -7.661 -5.813 -2.074 1.00 0.00 C ATOM 523 O MET A 109 -8.631 -5.060 -2.170 1.00 0.00 O ATOM 524 CB MET A 109 -5.349 -4.996 -1.507 1.00 0.00 C ATOM 525 CG MET A 109 -4.986 -3.674 -0.844 1.00 0.00 C ATOM 526 SD MET A 109 -3.584 -3.814 0.284 1.00 0.00 S ATOM 527 CE MET A 109 -4.412 -4.260 1.809 1.00 0.00 C ATOM 0 H MET A 109 -5.350 -7.153 -0.331 1.00 0.00 H new ATOM 0 HA MET A 109 -7.080 -4.944 -0.223 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.527 -5.699 -1.374 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.462 -4.837 -2.579 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.754 -2.939 -1.615 1.00 0.00 H new ATOM 0 HG3 MET A 109 -5.850 -3.299 -0.296 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.769 -4.918 2.393 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.626 -3.359 2.384 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.345 -4.774 1.579 1.00 0.00 H new ATOM 537 N THR A 110 -7.442 -6.813 -2.922 1.00 0.00 N ATOM 538 CA THR A 110 -8.353 -7.079 -4.033 1.00 0.00 C ATOM 539 C THR A 110 -9.753 -7.412 -3.535 1.00 0.00 C ATOM 540 O THR A 110 -10.746 -6.917 -4.070 1.00 0.00 O ATOM 541 CB THR A 110 -7.820 -8.216 -4.903 1.00 0.00 C ATOM 542 OG1 THR A 110 -7.730 -9.419 -4.160 1.00 0.00 O ATOM 543 CG2 THR A 110 -6.454 -7.928 -5.489 1.00 0.00 C ATOM 0 H THR A 110 -6.647 -7.450 -2.863 1.00 0.00 H new ATOM 0 HA THR A 110 -8.415 -6.172 -4.634 1.00 0.00 H new ATOM 0 HB THR A 110 -8.534 -8.315 -5.721 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.788 -9.636 -4.001 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.133 -8.774 -6.096 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.506 -7.034 -6.111 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.739 -7.768 -4.682 1.00 0.00 H new ATOM 551 N ASN A 111 -9.831 -8.252 -2.512 1.00 0.00 N ATOM 552 CA ASN A 111 -11.116 -8.645 -1.950 1.00 0.00 C ATOM 553 C ASN A 111 -11.815 -7.469 -1.265 1.00 0.00 C ATOM 554 O ASN A 111 -13.019 -7.521 -1.015 1.00 0.00 O ATOM 555 CB ASN A 111 -10.929 -9.790 -0.952 1.00 0.00 C ATOM 556 CG ASN A 111 -12.249 -10.333 -0.441 1.00 0.00 C ATOM 557 OD1 ASN A 111 -12.830 -9.651 0.539 1.00 0.00 O flip ATOM 558 ND2 ASN A 111 -12.742 -11.354 -0.922 1.00 0.00 N flip ATOM 0 H ASN A 111 -9.022 -8.673 -2.055 1.00 0.00 H new ATOM 0 HA ASN A 111 -11.747 -8.980 -2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.368 -10.595 -1.427 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.333 -9.440 -0.109 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -12.261 -11.847 -1.674 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -13.631 -11.707 -0.568 1.00 0.00 H new ATOM 565 N LEU A 112 -11.062 -6.411 -0.951 1.00 0.00 N ATOM 566 CA LEU A 112 -11.637 -5.246 -0.283 1.00 0.00 C ATOM 567 C LEU A 112 -11.588 -3.994 -1.160 1.00 0.00 C ATOM 568 O LEU A 112 -11.169 -4.037 -2.330 1.00 0.00 O ATOM 569 CB LEU A 112 -10.913 -4.986 1.038 1.00 0.00 C ATOM 570 CG LEU A 112 -9.440 -4.607 0.905 1.00 0.00 C ATOM 571 CD1 LEU A 112 -9.285 -3.106 0.715 1.00 0.00 C ATOM 572 CD2 LEU A 112 -8.664 -5.078 2.124 1.00 0.00 C ATOM 0 H LEU A 112 -10.064 -6.339 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 112 -12.686 -5.469 -0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.432 -4.187 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.988 -5.880 1.658 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.033 -5.102 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.228 -2.858 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.810 -2.797 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.706 -2.585 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.615 -4.802 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.073 -4.609 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.747 -6.161 2.212 1.00 0.00 H new ATOM 584 N GLY A 113 -12.028 -2.877 -0.573 1.00 0.00 N ATOM 585 CA GLY A 113 -12.051 -1.612 -1.279 1.00 0.00 C ATOM 586 C GLY A 113 -13.013 -1.644 -2.442 1.00 0.00 C ATOM 587 O GLY A 113 -14.136 -2.132 -2.314 1.00 0.00 O ATOM 0 H GLY A 113 -12.370 -2.833 0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.336 -0.816 -0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.050 -1.378 -1.640 1.00 0.00 H new ATOM 591 N GLU A 114 -12.567 -1.152 -3.587 1.00 0.00 N ATOM 592 CA GLU A 114 -13.390 -1.157 -4.786 1.00 0.00 C ATOM 593 C GLU A 114 -13.004 -2.347 -5.655 1.00 0.00 C ATOM 594 O GLU A 114 -12.881 -2.231 -6.874 1.00 0.00 O ATOM 595 CB GLU A 114 -13.208 0.148 -5.564 1.00 0.00 C ATOM 596 CG GLU A 114 -11.758 0.459 -5.889 1.00 0.00 C ATOM 597 CD GLU A 114 -11.605 1.254 -7.171 1.00 0.00 C ATOM 598 OE1 GLU A 114 -12.504 2.064 -7.478 1.00 0.00 O1- ATOM 599 OE2 GLU A 114 -10.585 1.067 -7.867 1.00 0.00 O ATOM 0 H GLU A 114 -11.640 -0.744 -3.711 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.439 -1.241 -4.502 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.777 0.091 -6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.627 0.970 -4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.317 1.018 -5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.201 -0.474 -5.976 1.00 0.00 H new ATOM 606 N LYS A 115 -12.787 -3.491 -5.005 1.00 0.00 N ATOM 607 CA LYS A 115 -12.383 -4.702 -5.699 1.00 0.00 C ATOM 608 C LYS A 115 -11.040 -4.477 -6.382 1.00 0.00 C ATOM 609 O LYS A 115 -10.929 -4.558 -7.606 1.00 0.00 O ATOM 610 CB LYS A 115 -13.446 -5.116 -6.722 1.00 0.00 C ATOM 611 CG LYS A 115 -14.742 -5.604 -6.092 1.00 0.00 C ATOM 612 CD LYS A 115 -14.519 -6.836 -5.228 1.00 0.00 C ATOM 613 CE LYS A 115 -13.933 -7.986 -6.031 1.00 0.00 C ATOM 614 NZ LYS A 115 -13.838 -9.235 -5.225 1.00 0.00 N1+ ATOM 0 H LYS A 115 -12.886 -3.599 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 115 -12.281 -5.509 -4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.664 -4.267 -7.370 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.040 -5.905 -7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.174 -4.808 -5.486 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -15.463 -5.835 -6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.848 -6.587 -4.405 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -15.465 -7.146 -4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -14.552 -8.167 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -12.942 -7.710 -6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -13.434 -9.995 -5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -13.227 -9.070 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -14.787 -9.513 -4.903 1.00 0.00 H new ATOM 628 N LEU A 116 -10.014 -4.172 -5.579 1.00 0.00 N ATOM 629 CA LEU A 116 -8.670 -3.911 -6.115 1.00 0.00 C ATOM 630 C LEU A 116 -8.247 -4.970 -7.139 1.00 0.00 C ATOM 631 O LEU A 116 -8.258 -6.167 -6.854 1.00 0.00 O ATOM 632 CB LEU A 116 -7.641 -3.836 -4.982 1.00 0.00 C ATOM 633 CG LEU A 116 -6.624 -2.700 -5.107 1.00 0.00 C ATOM 634 CD1 LEU A 116 -5.603 -2.780 -3.985 1.00 0.00 C ATOM 635 CD2 LEU A 116 -5.932 -2.747 -6.461 1.00 0.00 C ATOM 0 H LEU A 116 -10.086 -4.100 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.709 -2.949 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.172 -3.726 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.102 -4.783 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.155 -1.751 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.886 -1.966 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.111 -2.698 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.078 -3.734 -4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.213 -1.931 -6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.413 -3.699 -6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.674 -2.645 -7.253 1.00 0.00 H new ATOM 647 N THR A 117 -7.882 -4.513 -8.333 1.00 0.00 N ATOM 648 CA THR A 117 -7.464 -5.412 -9.403 1.00 0.00 C ATOM 649 C THR A 117 -6.170 -6.135 -9.044 1.00 0.00 C ATOM 650 O THR A 117 -5.363 -5.635 -8.260 1.00 0.00 O ATOM 651 CB THR A 117 -7.280 -4.635 -10.708 1.00 0.00 C ATOM 652 OG1 THR A 117 -6.234 -3.688 -10.583 1.00 0.00 O ATOM 653 CG2 THR A 117 -8.525 -3.890 -11.141 1.00 0.00 C ATOM 0 H THR A 117 -7.867 -3.524 -8.584 1.00 0.00 H new ATOM 0 HA THR A 117 -8.247 -6.158 -9.536 1.00 0.00 H new ATOM 0 HB THR A 117 -7.045 -5.386 -11.462 1.00 0.00 H new ATOM 0 HG1 THR A 117 -6.597 -2.784 -10.690 1.00 0.00 H new ATOM 0 HG21 THR A 117 -8.326 -3.360 -12.073 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.339 -4.599 -11.293 1.00 0.00 H new ATOM 0 HG23 THR A 117 -8.807 -3.174 -10.369 1.00 0.00 H new ATOM 661 N ASP A 118 -5.981 -7.314 -9.627 1.00 0.00 N ATOM 662 CA ASP A 118 -4.787 -8.112 -9.376 1.00 0.00 C ATOM 663 C ASP A 118 -3.551 -7.452 -9.980 1.00 0.00 C ATOM 664 O ASP A 118 -2.443 -7.604 -9.467 1.00 0.00 O ATOM 665 CB ASP A 118 -4.963 -9.519 -9.951 1.00 0.00 C ATOM 666 CG ASP A 118 -4.375 -10.589 -9.053 1.00 0.00 C ATOM 667 OD1 ASP A 118 -4.712 -10.604 -7.850 1.00 0.00 O ATOM 668 OD2 ASP A 118 -3.580 -11.412 -9.552 1.00 0.00 O1- ATOM 0 H ASP A 118 -6.641 -7.739 -10.278 1.00 0.00 H new ATOM 0 HA ASP A 118 -4.645 -8.181 -8.297 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -6.024 -9.717 -10.100 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.488 -9.570 -10.931 1.00 0.00 H new ATOM 673 N ASP A 119 -3.747 -6.721 -11.073 1.00 0.00 N ATOM 674 CA ASP A 119 -2.646 -6.041 -11.746 1.00 0.00 C ATOM 675 C ASP A 119 -2.064 -4.935 -10.871 1.00 0.00 C ATOM 676 O ASP A 119 -0.850 -4.845 -10.693 1.00 0.00 O ATOM 677 CB ASP A 119 -3.118 -5.457 -13.079 1.00 0.00 C ATOM 678 CG ASP A 119 -3.090 -6.477 -14.200 1.00 0.00 C ATOM 679 OD1 ASP A 119 -3.071 -7.689 -13.900 1.00 0.00 O ATOM 680 OD2 ASP A 119 -3.087 -6.063 -15.379 1.00 0.00 O1- ATOM 0 H ASP A 119 -4.658 -6.584 -11.511 1.00 0.00 H new ATOM 0 HA ASP A 119 -1.863 -6.776 -11.934 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -4.132 -5.074 -12.966 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -2.485 -4.611 -13.346 1.00 0.00 H new ATOM 685 N GLU A 120 -2.938 -4.092 -10.329 1.00 0.00 N ATOM 686 CA GLU A 120 -2.508 -2.990 -9.475 1.00 0.00 C ATOM 687 C GLU A 120 -1.761 -3.510 -8.249 1.00 0.00 C ATOM 688 O GLU A 120 -0.722 -2.969 -7.868 1.00 0.00 O ATOM 689 CB GLU A 120 -3.717 -2.149 -9.049 1.00 0.00 C ATOM 690 CG GLU A 120 -3.670 -0.718 -9.562 1.00 0.00 C ATOM 691 CD GLU A 120 -4.614 -0.483 -10.725 1.00 0.00 C ATOM 692 OE1 GLU A 120 -5.776 -0.934 -10.647 1.00 0.00 O1- ATOM 693 OE2 GLU A 120 -4.191 0.153 -11.714 1.00 0.00 O ATOM 0 H GLU A 120 -3.947 -4.151 -10.466 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.825 -2.360 -10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.628 -2.627 -9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.775 -2.135 -7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.924 -0.037 -8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.652 -0.480 -9.871 1.00 0.00 H new ATOM 700 N VAL A 121 -2.295 -4.561 -7.636 1.00 0.00 N ATOM 701 CA VAL A 121 -1.678 -5.153 -6.457 1.00 0.00 C ATOM 702 C VAL A 121 -0.425 -5.940 -6.832 1.00 0.00 C ATOM 703 O VAL A 121 0.526 -6.015 -6.056 1.00 0.00 O ATOM 704 CB VAL A 121 -2.664 -6.075 -5.705 1.00 0.00 C ATOM 705 CG1 VAL A 121 -3.101 -7.236 -6.584 1.00 0.00 C ATOM 706 CG2 VAL A 121 -2.046 -6.582 -4.409 1.00 0.00 C ATOM 0 H VAL A 121 -3.155 -5.020 -7.937 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.398 -4.333 -5.796 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.549 -5.490 -5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.795 -7.870 -6.031 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.594 -6.851 -7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.228 -7.821 -6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.757 -7.229 -3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -1.140 -7.145 -4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.798 -5.736 -3.769 1.00 0.00 H new ATOM 716 N ASP A 122 -0.435 -6.527 -8.024 1.00 0.00 N ATOM 717 CA ASP A 122 0.700 -7.309 -8.500 1.00 0.00 C ATOM 718 C ASP A 122 1.875 -6.406 -8.866 1.00 0.00 C ATOM 719 O ASP A 122 3.035 -6.774 -8.682 1.00 0.00 O ATOM 720 CB ASP A 122 0.294 -8.150 -9.712 1.00 0.00 C ATOM 721 CG ASP A 122 -0.407 -9.435 -9.316 1.00 0.00 C ATOM 722 OD1 ASP A 122 -0.164 -9.922 -8.192 1.00 0.00 O ATOM 723 OD2 ASP A 122 -1.200 -9.954 -10.130 1.00 0.00 O1- ATOM 0 H ASP A 122 -1.216 -6.476 -8.678 1.00 0.00 H new ATOM 0 HA ASP A 122 1.014 -7.971 -7.693 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -0.364 -7.564 -10.354 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.181 -8.389 -10.298 1.00 0.00 H new ATOM 728 N GLU A 123 1.564 -5.227 -9.393 1.00 0.00 N ATOM 729 CA GLU A 123 2.590 -4.273 -9.798 1.00 0.00 C ATOM 730 C GLU A 123 3.258 -3.616 -8.592 1.00 0.00 C ATOM 731 O GLU A 123 4.464 -3.372 -8.599 1.00 0.00 O ATOM 732 CB GLU A 123 1.982 -3.199 -10.701 1.00 0.00 C ATOM 733 CG GLU A 123 3.011 -2.267 -11.319 1.00 0.00 C ATOM 734 CD GLU A 123 3.864 -2.953 -12.369 1.00 0.00 C ATOM 735 OE1 GLU A 123 3.298 -3.691 -13.203 1.00 0.00 O ATOM 736 OE2 GLU A 123 5.096 -2.752 -12.357 1.00 0.00 O1- ATOM 0 H GLU A 123 0.608 -4.908 -9.550 1.00 0.00 H new ATOM 0 HA GLU A 123 3.354 -4.824 -10.347 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.418 -3.684 -11.498 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.272 -2.609 -10.122 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.500 -1.416 -11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.656 -1.872 -10.534 1.00 0.00 H new ATOM 743 N MET A 124 2.469 -3.317 -7.564 1.00 0.00 N ATOM 744 CA MET A 124 2.996 -2.672 -6.365 1.00 0.00 C ATOM 745 C MET A 124 3.787 -3.650 -5.495 1.00 0.00 C ATOM 746 O MET A 124 4.765 -3.267 -4.852 1.00 0.00 O ATOM 747 CB MET A 124 1.861 -2.035 -5.557 1.00 0.00 C ATOM 748 CG MET A 124 0.928 -3.040 -4.903 1.00 0.00 C ATOM 749 SD MET A 124 1.119 -3.115 -3.109 1.00 0.00 S ATOM 750 CE MET A 124 -0.237 -4.199 -2.668 1.00 0.00 C ATOM 0 H MET A 124 1.468 -3.510 -7.536 1.00 0.00 H new ATOM 0 HA MET A 124 3.683 -1.890 -6.688 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.292 -1.398 -4.784 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.279 -1.389 -6.214 1.00 0.00 H new ATOM 0 HG2 MET A 124 -0.103 -2.780 -5.143 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.114 -4.028 -5.324 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.397 -4.161 -1.591 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.143 -3.876 -3.181 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.003 -5.220 -2.964 1.00 0.00 H new ATOM 760 N ILE A 125 3.362 -4.909 -5.474 1.00 0.00 N ATOM 761 CA ILE A 125 4.037 -5.927 -4.675 1.00 0.00 C ATOM 762 C ILE A 125 5.360 -6.354 -5.309 1.00 0.00 C ATOM 763 O ILE A 125 6.285 -6.774 -4.614 1.00 0.00 O ATOM 764 CB ILE A 125 3.139 -7.166 -4.464 1.00 0.00 C ATOM 765 CG1 ILE A 125 2.848 -7.861 -5.801 1.00 0.00 C ATOM 766 CG2 ILE A 125 1.844 -6.763 -3.765 1.00 0.00 C ATOM 767 CD1 ILE A 125 1.926 -9.057 -5.678 1.00 0.00 C ATOM 0 H ILE A 125 2.556 -5.249 -5.999 1.00 0.00 H new ATOM 0 HA ILE A 125 4.246 -5.476 -3.705 1.00 0.00 H new ATOM 0 HB ILE A 125 3.668 -7.876 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.403 -7.139 -6.486 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.790 -8.184 -6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.219 -7.644 -3.621 1.00 0.00 H new ATOM 0 HG22 ILE A 125 2.076 -6.321 -2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 125 1.311 -6.036 -4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.766 -9.496 -6.663 1.00 0.00 H new ATOM 0 HD12 ILE A 125 2.378 -9.798 -5.019 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.970 -8.738 -5.264 1.00 0.00 H new ATOM 779 N ARG A 126 5.441 -6.247 -6.632 1.00 0.00 N ATOM 780 CA ARG A 126 6.648 -6.625 -7.358 1.00 0.00 C ATOM 781 C ARG A 126 7.743 -5.574 -7.189 1.00 0.00 C ATOM 782 O ARG A 126 8.932 -5.888 -7.243 1.00 0.00 O ATOM 783 CB ARG A 126 6.331 -6.824 -8.845 1.00 0.00 C ATOM 784 CG ARG A 126 6.235 -8.284 -9.255 1.00 0.00 C ATOM 785 CD ARG A 126 7.611 -8.890 -9.482 1.00 0.00 C ATOM 786 NE ARG A 126 7.604 -9.876 -10.561 1.00 0.00 N ATOM 787 CZ ARG A 126 8.696 -10.490 -11.020 1.00 0.00 C ATOM 788 NH1 ARG A 126 9.890 -10.226 -10.500 1.00 0.00 N1+ ATOM 789 NH2 ARG A 126 8.592 -11.373 -12.004 1.00 0.00 N ATOM 0 H ARG A 126 4.685 -5.902 -7.223 1.00 0.00 H new ATOM 0 HA ARG A 126 7.013 -7.565 -6.943 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.389 -6.327 -9.077 1.00 0.00 H new ATOM 0 HB3 ARG A 126 7.103 -6.338 -9.441 1.00 0.00 H new ATOM 0 HG2 ARG A 126 5.711 -8.847 -8.482 1.00 0.00 H new ATOM 0 HG3 ARG A 126 5.644 -8.369 -10.167 1.00 0.00 H new ATOM 0 HD2 ARG A 126 8.321 -8.098 -9.719 1.00 0.00 H new ATOM 0 HD3 ARG A 126 7.956 -9.362 -8.562 1.00 0.00 H new ATOM 0 HE ARG A 126 6.708 -10.109 -10.990 1.00 0.00 H new ATOM 0 HH11 ARG A 126 9.978 -9.548 -9.743 1.00 0.00 H new ATOM 0 HH12 ARG A 126 10.719 -10.701 -10.858 1.00 0.00 H new ATOM 0 HH21 ARG A 126 7.679 -11.581 -12.408 1.00 0.00 H new ATOM 0 HH22 ARG A 126 9.425 -11.844 -12.357 1.00 0.00 H new ATOM 803 N GLU A 127 7.335 -4.325 -6.992 1.00 0.00 N ATOM 804 CA GLU A 127 8.281 -3.229 -6.824 1.00 0.00 C ATOM 805 C GLU A 127 8.790 -3.150 -5.388 1.00 0.00 C ATOM 806 O GLU A 127 9.907 -2.694 -5.143 1.00 0.00 O ATOM 807 CB GLU A 127 7.626 -1.904 -7.220 1.00 0.00 C ATOM 808 CG GLU A 127 8.622 -0.822 -7.605 1.00 0.00 C ATOM 809 CD GLU A 127 9.107 -0.959 -9.034 1.00 0.00 C ATOM 810 OE1 GLU A 127 9.807 -1.949 -9.332 1.00 0.00 O1- ATOM 811 OE2 GLU A 127 8.788 -0.074 -9.856 1.00 0.00 O ATOM 0 H GLU A 127 6.355 -4.047 -6.945 1.00 0.00 H new ATOM 0 HA GLU A 127 9.134 -3.419 -7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.951 -2.079 -8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 127 7.018 -1.547 -6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.159 0.156 -7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.477 -0.863 -6.930 1.00 0.00 H new ATOM 818 N ALA A 128 7.967 -3.587 -4.440 1.00 0.00 N ATOM 819 CA ALA A 128 8.346 -3.553 -3.031 1.00 0.00 C ATOM 820 C ALA A 128 9.502 -4.504 -2.742 1.00 0.00 C ATOM 821 O ALA A 128 10.509 -4.110 -2.152 1.00 0.00 O ATOM 822 CB ALA A 128 7.150 -3.901 -2.158 1.00 0.00 C ATOM 0 H ALA A 128 7.038 -3.967 -4.620 1.00 0.00 H new ATOM 0 HA ALA A 128 8.678 -2.541 -2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 128 7.445 -3.872 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 128 6.351 -3.179 -2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.796 -4.901 -2.408 1.00 0.00 H new ATOM 828 N ASP A 129 9.354 -5.760 -3.161 1.00 0.00 N ATOM 829 CA ASP A 129 10.386 -6.779 -2.951 1.00 0.00 C ATOM 830 C ASP A 129 9.862 -8.152 -3.360 1.00 0.00 C ATOM 831 O ASP A 129 10.433 -8.815 -4.226 1.00 0.00 O ATOM 832 CB ASP A 129 10.842 -6.809 -1.482 1.00 0.00 C ATOM 833 CG ASP A 129 12.342 -6.642 -1.341 1.00 0.00 C ATOM 834 OD1 ASP A 129 12.860 -5.574 -1.731 1.00 0.00 O ATOM 835 OD2 ASP A 129 13.000 -7.579 -0.840 1.00 0.00 O1- ATOM 0 H ASP A 129 8.526 -6.099 -3.650 1.00 0.00 H new ATOM 0 HA ASP A 129 11.244 -6.523 -3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 129 10.337 -6.016 -0.931 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.540 -7.753 -1.029 1.00 0.00 H new ATOM 915 N ILE A 136 7.478 -8.828 2.259 1.00 0.00 N ATOM 916 CA ILE A 136 7.515 -7.496 1.662 1.00 0.00 C ATOM 917 C ILE A 136 7.528 -6.410 2.730 1.00 0.00 C ATOM 918 O ILE A 136 6.519 -6.161 3.389 1.00 0.00 O ATOM 919 CB ILE A 136 6.309 -7.255 0.732 1.00 0.00 C ATOM 920 CG1 ILE A 136 6.062 -8.472 -0.164 1.00 0.00 C ATOM 921 CG2 ILE A 136 6.536 -6.007 -0.109 1.00 0.00 C ATOM 922 CD1 ILE A 136 4.762 -8.401 -0.935 1.00 0.00 C ATOM 0 HA ILE A 136 8.434 -7.447 1.079 1.00 0.00 H new ATOM 0 HB ILE A 136 5.422 -7.104 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.888 -8.568 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 136 6.062 -9.372 0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 136 5.678 -5.847 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.660 -5.144 0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 136 7.433 -6.134 -0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 136 4.653 -9.296 -1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 136 3.928 -8.336 -0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 136 4.767 -7.520 -1.577 1.00 0.00 H new ATOM 934 N ASN A 137 8.673 -5.756 2.890 1.00 0.00 N ATOM 935 CA ASN A 137 8.806 -4.689 3.871 1.00 0.00 C ATOM 936 C ASN A 137 8.092 -3.432 3.389 1.00 0.00 C ATOM 937 O ASN A 137 8.343 -2.950 2.285 1.00 0.00 O ATOM 938 CB ASN A 137 10.283 -4.385 4.131 1.00 0.00 C ATOM 939 CG ASN A 137 10.557 -4.053 5.584 1.00 0.00 C ATOM 940 OD1 ASN A 137 9.873 -3.223 6.183 1.00 0.00 O ATOM 941 ND2 ASN A 137 11.563 -4.701 6.160 1.00 0.00 N ATOM 0 H ASN A 137 9.520 -5.946 2.354 1.00 0.00 H new ATOM 0 HA ASN A 137 8.346 -5.019 4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.885 -5.245 3.838 1.00 0.00 H new ATOM 0 HB3 ASN A 137 10.595 -3.549 3.505 1.00 0.00 H new ATOM 0 HD21 ASN A 137 11.795 -4.519 7.136 1.00 0.00 H new ATOM 0 HD22 ASN A 137 12.104 -5.381 5.626 1.00 0.00 H new ATOM 948 N TYR A 138 7.197 -2.905 4.219 1.00 0.00 N ATOM 949 CA TYR A 138 6.449 -1.704 3.860 1.00 0.00 C ATOM 950 C TYR A 138 7.280 -0.429 4.039 1.00 0.00 C ATOM 951 O TYR A 138 6.791 0.666 3.773 1.00 0.00 O ATOM 952 CB TYR A 138 5.155 -1.603 4.672 1.00 0.00 C ATOM 953 CG TYR A 138 5.332 -1.881 6.144 1.00 0.00 C ATOM 954 CD1 TYR A 138 6.169 -1.094 6.921 1.00 0.00 C ATOM 955 CD2 TYR A 138 4.662 -2.932 6.754 1.00 0.00 C ATOM 956 CE1 TYR A 138 6.334 -1.346 8.267 1.00 0.00 C ATOM 957 CE2 TYR A 138 4.820 -3.191 8.100 1.00 0.00 C ATOM 958 CZ TYR A 138 5.658 -2.395 8.854 1.00 0.00 C ATOM 959 OH TYR A 138 5.819 -2.650 10.196 1.00 0.00 O ATOM 0 H TYR A 138 6.973 -3.287 5.138 1.00 0.00 H new ATOM 0 HA TYR A 138 6.201 -1.793 2.802 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.738 -0.604 4.549 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.427 -2.305 4.265 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.700 -0.271 6.465 1.00 0.00 H new ATOM 0 HD2 TYR A 138 4.006 -3.557 6.166 1.00 0.00 H new ATOM 0 HE1 TYR A 138 6.990 -0.725 8.859 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.291 -4.012 8.561 1.00 0.00 H new ATOM 0 HH TYR A 138 4.997 -3.045 10.555 1.00 0.00 H new ATOM 969 N GLU A 139 8.535 -0.567 4.476 1.00 0.00 N ATOM 970 CA GLU A 139 9.408 0.586 4.665 1.00 0.00 C ATOM 971 C GLU A 139 10.118 0.925 3.361 1.00 0.00 C ATOM 972 O GLU A 139 10.257 2.093 2.998 1.00 0.00 O ATOM 973 CB GLU A 139 10.436 0.304 5.763 1.00 0.00 C ATOM 974 CG GLU A 139 9.816 -0.002 7.116 1.00 0.00 C ATOM 975 CD GLU A 139 9.410 1.250 7.868 1.00 0.00 C ATOM 976 OE1 GLU A 139 9.230 2.301 7.218 1.00 0.00 O1- ATOM 977 OE2 GLU A 139 9.275 1.180 9.107 1.00 0.00 O ATOM 0 H GLU A 139 8.964 -1.464 4.704 1.00 0.00 H new ATOM 0 HA GLU A 139 8.798 1.437 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 139 11.057 -0.538 5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 139 11.095 1.167 5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 139 8.941 -0.637 6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 139 10.527 -0.568 7.718 1.00 0.00 H new ATOM 984 N GLU A 140 10.549 -0.112 2.650 1.00 0.00 N ATOM 985 CA GLU A 140 11.225 0.062 1.373 1.00 0.00 C ATOM 986 C GLU A 140 10.202 0.388 0.299 1.00 0.00 C ATOM 987 O GLU A 140 10.433 1.232 -0.568 1.00 0.00 O ATOM 988 CB GLU A 140 11.994 -1.206 0.997 1.00 0.00 C ATOM 989 CG GLU A 140 12.823 -1.775 2.137 1.00 0.00 C ATOM 990 CD GLU A 140 13.988 -0.881 2.512 1.00 0.00 C ATOM 991 OE1 GLU A 140 13.743 0.216 3.057 1.00 0.00 O ATOM 992 OE2 GLU A 140 15.145 -1.278 2.260 1.00 0.00 O1- ATOM 0 H GLU A 140 10.441 -1.084 2.939 1.00 0.00 H new ATOM 0 HA GLU A 140 11.936 0.883 1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 140 11.286 -1.964 0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 140 12.651 -0.986 0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 140 12.185 -1.919 3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.200 -2.757 1.852 1.00 0.00 H new ATOM 999 N PHE A 141 9.059 -0.285 0.378 1.00 0.00 N ATOM 1000 CA PHE A 141 7.975 -0.077 -0.568 1.00 0.00 C ATOM 1001 C PHE A 141 7.483 1.367 -0.493 1.00 0.00 C ATOM 1002 O PHE A 141 7.346 2.038 -1.514 1.00 0.00 O ATOM 1003 CB PHE A 141 6.833 -1.056 -0.275 1.00 0.00 C ATOM 1004 CG PHE A 141 5.607 -0.837 -1.115 1.00 0.00 C ATOM 1005 CD1 PHE A 141 5.694 -0.767 -2.496 1.00 0.00 C ATOM 1006 CD2 PHE A 141 4.369 -0.692 -0.516 1.00 0.00 C ATOM 1007 CE1 PHE A 141 4.565 -0.555 -3.263 1.00 0.00 C ATOM 1008 CE2 PHE A 141 3.237 -0.482 -1.277 1.00 0.00 C ATOM 1009 CZ PHE A 141 3.335 -0.413 -2.652 1.00 0.00 C ATOM 0 H PHE A 141 8.861 -0.984 1.094 1.00 0.00 H new ATOM 0 HA PHE A 141 8.340 -0.262 -1.578 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.191 -2.073 -0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.559 -0.974 0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.654 -0.879 -2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 141 4.287 -0.744 0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 141 4.644 -0.500 -4.339 1.00 0.00 H new ATOM 0 HE2 PHE A 141 2.276 -0.372 -0.797 1.00 0.00 H new ATOM 0 HZ PHE A 141 2.450 -0.248 -3.249 1.00 0.00 H new ATOM 1019 N VAL A 142 7.233 1.844 0.723 1.00 0.00 N ATOM 1020 CA VAL A 142 6.775 3.213 0.915 1.00 0.00 C ATOM 1021 C VAL A 142 7.880 4.193 0.542 1.00 0.00 C ATOM 1022 O VAL A 142 7.619 5.260 -0.011 1.00 0.00 O ATOM 1023 CB VAL A 142 6.332 3.472 2.373 1.00 0.00 C ATOM 1024 CG1 VAL A 142 7.489 3.259 3.338 1.00 0.00 C ATOM 1025 CG2 VAL A 142 5.760 4.875 2.520 1.00 0.00 C ATOM 0 H VAL A 142 7.339 1.306 1.583 1.00 0.00 H new ATOM 0 HA VAL A 142 5.912 3.361 0.266 1.00 0.00 H new ATOM 0 HB VAL A 142 5.549 2.756 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.152 3.447 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.846 2.232 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 142 8.300 3.945 3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.454 5.037 3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 142 6.519 5.608 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.896 4.986 1.865 1.00 0.00 H new ATOM 1035 N ARG A 143 9.118 3.816 0.849 1.00 0.00 N ATOM 1036 CA ARG A 143 10.267 4.657 0.546 1.00 0.00 C ATOM 1037 C ARG A 143 10.406 4.869 -0.958 1.00 0.00 C ATOM 1038 O ARG A 143 10.482 6.001 -1.427 1.00 0.00 O ATOM 1039 CB ARG A 143 11.544 4.027 1.104 1.00 0.00 C ATOM 1040 CG ARG A 143 12.789 4.868 0.875 1.00 0.00 C ATOM 1041 CD ARG A 143 13.799 4.684 1.996 1.00 0.00 C ATOM 1042 NE ARG A 143 15.040 5.413 1.741 1.00 0.00 N ATOM 1043 CZ ARG A 143 16.099 5.393 2.552 1.00 0.00 C ATOM 1044 NH1 ARG A 143 16.079 4.684 3.675 1.00 0.00 N1+ ATOM 1045 NH2 ARG A 143 17.184 6.087 2.237 1.00 0.00 N ATOM 0 H ARG A 143 9.349 2.934 1.307 1.00 0.00 H new ATOM 0 HA ARG A 143 10.111 5.627 1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 143 11.420 3.861 2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 143 11.687 3.049 0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 143 13.245 4.593 -0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 143 12.511 5.920 0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 143 13.364 5.026 2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 143 14.020 3.623 2.114 1.00 0.00 H new ATOM 0 HE ARG A 143 15.100 5.972 0.890 1.00 0.00 H new ATOM 0 HH11 ARG A 143 15.248 4.148 3.925 1.00 0.00 H new ATOM 0 HH12 ARG A 143 16.894 4.676 4.288 1.00 0.00 H new ATOM 0 HH21 ARG A 143 17.207 6.634 1.377 1.00 0.00 H new ATOM 0 HH22 ARG A 143 17.995 6.074 2.855 1.00 0.00 H new ATOM 1059 N MET A 144 10.440 3.774 -1.709 1.00 0.00 N ATOM 1060 CA MET A 144 10.576 3.850 -3.161 1.00 0.00 C ATOM 1061 C MET A 144 9.300 4.375 -3.812 1.00 0.00 C ATOM 1062 O MET A 144 9.352 5.060 -4.834 1.00 0.00 O ATOM 1063 CB MET A 144 10.936 2.479 -3.740 1.00 0.00 C ATOM 1064 CG MET A 144 10.005 1.360 -3.291 1.00 0.00 C ATOM 1065 SD MET A 144 9.213 0.502 -4.667 1.00 0.00 S ATOM 1066 CE MET A 144 7.688 1.430 -4.815 1.00 0.00 C ATOM 0 H MET A 144 10.376 2.826 -1.339 1.00 0.00 H new ATOM 0 HA MET A 144 11.382 4.550 -3.381 1.00 0.00 H new ATOM 0 HB2 MET A 144 10.919 2.539 -4.828 1.00 0.00 H new ATOM 0 HB3 MET A 144 11.956 2.229 -3.450 1.00 0.00 H new ATOM 0 HG2 MET A 144 10.571 0.640 -2.699 1.00 0.00 H new ATOM 0 HG3 MET A 144 9.236 1.775 -2.639 1.00 0.00 H new ATOM 0 HE1 MET A 144 6.968 0.856 -5.399 1.00 0.00 H new ATOM 0 HE2 MET A 144 7.280 1.621 -3.822 1.00 0.00 H new ATOM 0 HE3 MET A 144 7.886 2.379 -5.314 1.00 0.00 H new ATOM 1076 N MET A 145 8.154 4.053 -3.219 1.00 0.00 N ATOM 1077 CA MET A 145 6.871 4.495 -3.750 1.00 0.00 C ATOM 1078 C MET A 145 6.791 6.019 -3.793 1.00 0.00 C ATOM 1079 O MET A 145 6.485 6.605 -4.832 1.00 0.00 O ATOM 1080 CB MET A 145 5.728 3.937 -2.901 1.00 0.00 C ATOM 1081 CG MET A 145 4.346 4.330 -3.403 1.00 0.00 C ATOM 1082 SD MET A 145 3.276 2.908 -3.702 1.00 0.00 S ATOM 1083 CE MET A 145 2.836 2.473 -2.024 1.00 0.00 C ATOM 0 H MET A 145 8.089 3.488 -2.372 1.00 0.00 H new ATOM 0 HA MET A 145 6.779 4.118 -4.769 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.801 2.850 -2.878 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.845 4.286 -1.875 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.873 4.987 -2.673 1.00 0.00 H new ATOM 0 HG3 MET A 145 4.449 4.901 -4.326 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.029 1.741 -2.038 1.00 0.00 H new ATOM 0 HE2 MET A 145 3.703 2.048 -1.519 1.00 0.00 H new ATOM 0 HE3 MET A 145 2.507 3.365 -1.491 1.00 0.00 H new ATOM 1093 N VAL A 146 7.061 6.653 -2.657 1.00 0.00 N ATOM 1094 CA VAL A 146 7.014 8.108 -2.563 1.00 0.00 C ATOM 1095 C VAL A 146 8.327 8.742 -3.011 1.00 0.00 C ATOM 1096 O VAL A 146 8.338 9.843 -3.562 1.00 0.00 O ATOM 1097 CB VAL A 146 6.695 8.567 -1.127 1.00 0.00 C ATOM 1098 CG1 VAL A 146 5.278 8.164 -0.743 1.00 0.00 C ATOM 1099 CG2 VAL A 146 7.714 8.005 -0.139 1.00 0.00 C ATOM 0 H VAL A 146 7.315 6.182 -1.788 1.00 0.00 H new ATOM 0 HA VAL A 146 6.217 8.438 -3.230 1.00 0.00 H new ATOM 0 HB VAL A 146 6.761 9.654 -1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 146 5.068 8.495 0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 146 4.569 8.628 -1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 146 5.180 7.080 -0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.469 8.342 0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 146 7.691 6.916 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.711 8.355 -0.406 1.00 0.00 H new ATOM 1231 N GLU B1905 -8.802 -3.513 9.918 1.00 0.00 N ATOM 1232 CA GLU B1905 -8.123 -4.160 8.800 1.00 0.00 C ATOM 1233 C GLU B1905 -8.573 -3.585 7.458 1.00 0.00 C ATOM 1234 O GLU B1905 -7.782 -2.976 6.738 1.00 0.00 O ATOM 1235 CB GLU B1905 -8.380 -5.668 8.829 1.00 0.00 C ATOM 1236 CG GLU B1905 -7.577 -6.402 9.889 1.00 0.00 C ATOM 1237 CD GLU B1905 -7.920 -7.877 9.962 1.00 0.00 C ATOM 1238 OE1 GLU B1905 -8.865 -8.231 10.698 1.00 0.00 O ATOM 1239 OE2 GLU B1905 -7.245 -8.678 9.281 1.00 0.00 O1- ATOM 0 HA GLU B1905 -7.055 -3.969 8.907 1.00 0.00 H new ATOM 0 HB2 GLU B1905 -9.442 -5.844 9.003 1.00 0.00 H new ATOM 0 HB3 GLU B1905 -8.144 -6.087 7.851 1.00 0.00 H new ATOM 0 HG2 GLU B1905 -6.514 -6.290 9.677 1.00 0.00 H new ATOM 0 HG3 GLU B1905 -7.758 -5.942 10.860 1.00 0.00 H new ATOM 1246 N GLU B1906 -9.841 -3.799 7.119 1.00 0.00 N ATOM 1247 CA GLU B1906 -10.390 -3.320 5.851 1.00 0.00 C ATOM 1248 C GLU B1906 -10.187 -1.816 5.666 1.00 0.00 C ATOM 1249 O GLU B1906 -9.629 -1.385 4.658 1.00 0.00 O ATOM 1250 CB GLU B1906 -11.877 -3.665 5.746 1.00 0.00 C ATOM 1251 CG GLU B1906 -12.691 -3.258 6.964 1.00 0.00 C ATOM 1252 CD GLU B1906 -13.741 -4.286 7.335 1.00 0.00 C ATOM 1253 OE1 GLU B1906 -13.407 -5.489 7.375 1.00 0.00 O1- ATOM 1254 OE2 GLU B1906 -14.898 -3.889 7.587 1.00 0.00 O ATOM 0 H GLU B1906 -10.509 -4.301 7.704 1.00 0.00 H new ATOM 0 HA GLU B1906 -9.845 -3.826 5.054 1.00 0.00 H new ATOM 0 HB2 GLU B1906 -12.292 -3.177 4.864 1.00 0.00 H new ATOM 0 HB3 GLU B1906 -11.981 -4.739 5.594 1.00 0.00 H new ATOM 0 HG2 GLU B1906 -12.021 -3.107 7.810 1.00 0.00 H new ATOM 0 HG3 GLU B1906 -13.177 -2.302 6.768 1.00 0.00 H new ATOM 1261 N VAL B1907 -10.645 -1.015 6.632 1.00 0.00 N ATOM 1262 CA VAL B1907 -10.511 0.443 6.549 1.00 0.00 C ATOM 1263 C VAL B1907 -9.073 0.857 6.224 1.00 0.00 C ATOM 1264 O VAL B1907 -8.838 1.682 5.337 1.00 0.00 O ATOM 1265 CB VAL B1907 -10.965 1.131 7.856 1.00 0.00 C ATOM 1266 CG1 VAL B1907 -10.082 0.721 9.024 1.00 0.00 C ATOM 1267 CG2 VAL B1907 -10.975 2.644 7.690 1.00 0.00 C ATOM 0 H VAL B1907 -11.110 -1.349 7.477 1.00 0.00 H new ATOM 0 HA VAL B1907 -11.162 0.770 5.738 1.00 0.00 H new ATOM 0 HB VAL B1907 -11.982 0.804 8.075 1.00 0.00 H new ATOM 0 HG11 VAL B1907 -10.424 1.220 9.931 1.00 0.00 H new ATOM 0 HG12 VAL B1907 -10.138 -0.359 9.161 1.00 0.00 H new ATOM 0 HG13 VAL B1907 -9.051 1.008 8.819 1.00 0.00 H new ATOM 0 HG21 VAL B1907 -11.297 3.110 8.621 1.00 0.00 H new ATOM 0 HG22 VAL B1907 -9.972 2.989 7.440 1.00 0.00 H new ATOM 0 HG23 VAL B1907 -11.663 2.918 6.890 1.00 0.00 H new ATOM 1277 N SER B1908 -8.116 0.262 6.932 1.00 0.00 N ATOM 1278 CA SER B1908 -6.705 0.554 6.702 1.00 0.00 C ATOM 1279 C SER B1908 -6.327 0.221 5.263 1.00 0.00 C ATOM 1280 O SER B1908 -5.467 0.868 4.666 1.00 0.00 O ATOM 1281 CB SER B1908 -5.830 -0.243 7.671 1.00 0.00 C ATOM 1282 OG SER B1908 -5.649 0.457 8.890 1.00 0.00 O ATOM 0 H SER B1908 -8.292 -0.423 7.667 1.00 0.00 H new ATOM 0 HA SER B1908 -6.539 1.617 6.875 1.00 0.00 H new ATOM 0 HB2 SER B1908 -6.290 -1.211 7.869 1.00 0.00 H new ATOM 0 HB3 SER B1908 -4.860 -0.439 7.213 1.00 0.00 H new ATOM 0 HG SER B1908 -6.388 0.250 9.499 1.00 0.00 H new ATOM 1288 N ALA B1909 -6.991 -0.790 4.710 1.00 0.00 N ATOM 1289 CA ALA B1909 -6.744 -1.209 3.339 1.00 0.00 C ATOM 1290 C ALA B1909 -7.351 -0.220 2.346 1.00 0.00 C ATOM 1291 O ALA B1909 -6.898 -0.115 1.207 1.00 0.00 O ATOM 1292 CB ALA B1909 -7.297 -2.606 3.113 1.00 0.00 C ATOM 0 H ALA B1909 -7.705 -1.334 5.194 1.00 0.00 H new ATOM 0 HA ALA B1909 -5.667 -1.228 3.173 1.00 0.00 H new ATOM 0 HB1 ALA B1909 -7.107 -2.910 2.084 1.00 0.00 H new ATOM 0 HB2 ALA B1909 -6.810 -3.304 3.794 1.00 0.00 H new ATOM 0 HB3 ALA B1909 -8.371 -2.607 3.299 1.00 0.00 H new ATOM 1298 N ILE B1910 -8.373 0.516 2.783 1.00 0.00 N ATOM 1299 CA ILE B1910 -9.016 1.500 1.924 1.00 0.00 C ATOM 1300 C ILE B1910 -8.062 2.649 1.627 1.00 0.00 C ATOM 1301 O ILE B1910 -7.853 3.017 0.469 1.00 0.00 O ATOM 1302 CB ILE B1910 -10.299 2.066 2.563 1.00 0.00 C ATOM 1303 CG1 ILE B1910 -11.195 0.932 3.066 1.00 0.00 C ATOM 1304 CG2 ILE B1910 -11.049 2.935 1.564 1.00 0.00 C ATOM 1305 CD1 ILE B1910 -11.558 -0.075 1.996 1.00 0.00 C ATOM 0 H ILE B1910 -8.768 0.448 3.721 1.00 0.00 H new ATOM 0 HA ILE B1910 -9.285 0.990 0.999 1.00 0.00 H new ATOM 0 HB ILE B1910 -10.017 2.683 3.416 1.00 0.00 H new ATOM 0 HG12 ILE B1910 -10.689 0.416 3.882 1.00 0.00 H new ATOM 0 HG13 ILE B1910 -12.110 1.359 3.477 1.00 0.00 H new ATOM 0 HG21 ILE B1910 -11.953 3.328 2.030 1.00 0.00 H new ATOM 0 HG22 ILE B1910 -10.412 3.763 1.252 1.00 0.00 H new ATOM 0 HG23 ILE B1910 -11.320 2.338 0.693 1.00 0.00 H new ATOM 0 HD11 ILE B1910 -12.194 -0.849 2.426 1.00 0.00 H new ATOM 0 HD12 ILE B1910 -12.092 0.428 1.190 1.00 0.00 H new ATOM 0 HD13 ILE B1910 -10.650 -0.530 1.601 1.00 0.00 H new ATOM 1317 N VAL B1911 -7.475 3.209 2.682 1.00 0.00 N ATOM 1318 CA VAL B1911 -6.534 4.312 2.528 1.00 0.00 C ATOM 1319 C VAL B1911 -5.298 3.865 1.754 1.00 0.00 C ATOM 1320 O VAL B1911 -4.782 4.601 0.912 1.00 0.00 O ATOM 1321 CB VAL B1911 -6.100 4.891 3.894 1.00 0.00 C ATOM 1322 CG1 VAL B1911 -5.389 3.839 4.733 1.00 0.00 C ATOM 1323 CG2 VAL B1911 -5.215 6.115 3.699 1.00 0.00 C ATOM 0 H VAL B1911 -7.634 2.918 3.647 1.00 0.00 H new ATOM 0 HA VAL B1911 -7.050 5.093 1.970 1.00 0.00 H new ATOM 0 HB VAL B1911 -6.997 5.197 4.432 1.00 0.00 H new ATOM 0 HG11 VAL B1911 -5.095 4.273 5.688 1.00 0.00 H new ATOM 0 HG12 VAL B1911 -6.060 2.998 4.908 1.00 0.00 H new ATOM 0 HG13 VAL B1911 -4.502 3.491 4.204 1.00 0.00 H new ATOM 0 HG21 VAL B1911 -4.919 6.509 4.671 1.00 0.00 H new ATOM 0 HG22 VAL B1911 -4.325 5.835 3.135 1.00 0.00 H new ATOM 0 HG23 VAL B1911 -5.766 6.879 3.151 1.00 0.00 H new ATOM 1333 N ILE B1912 -4.825 2.657 2.045 1.00 0.00 N ATOM 1334 CA ILE B1912 -3.648 2.122 1.375 1.00 0.00 C ATOM 1335 C ILE B1912 -3.893 2.016 -0.134 1.00 0.00 C ATOM 1336 O ILE B1912 -2.987 2.237 -0.940 1.00 0.00 O ATOM 1337 CB ILE B1912 -3.209 0.761 2.013 1.00 0.00 C ATOM 1338 CG1 ILE B1912 -1.697 0.745 2.219 1.00 0.00 C ATOM 1339 CG2 ILE B1912 -3.641 -0.467 1.212 1.00 0.00 C ATOM 1340 CD1 ILE B1912 -1.229 -0.334 3.170 1.00 0.00 C ATOM 0 H ILE B1912 -5.238 2.033 2.738 1.00 0.00 H new ATOM 0 HA ILE B1912 -2.816 2.812 1.517 1.00 0.00 H new ATOM 0 HB ILE B1912 -3.724 0.695 2.971 1.00 0.00 H new ATOM 0 HG12 ILE B1912 -1.208 0.605 1.255 1.00 0.00 H new ATOM 0 HG13 ILE B1912 -1.380 1.716 2.599 1.00 0.00 H new ATOM 0 HG21 ILE B1912 -3.300 -1.370 1.718 1.00 0.00 H new ATOM 0 HG22 ILE B1912 -4.728 -0.485 1.131 1.00 0.00 H new ATOM 0 HG23 ILE B1912 -3.204 -0.423 0.215 1.00 0.00 H new ATOM 0 HD11 ILE B1912 -0.145 -0.286 3.269 1.00 0.00 H new ATOM 0 HD12 ILE B1912 -1.689 -0.183 4.146 1.00 0.00 H new ATOM 0 HD13 ILE B1912 -1.515 -1.311 2.781 1.00 0.00 H new ATOM 1352 N GLN B1913 -5.132 1.701 -0.504 1.00 0.00 N ATOM 1353 CA GLN B1913 -5.501 1.597 -1.909 1.00 0.00 C ATOM 1354 C GLN B1913 -5.339 2.957 -2.579 1.00 0.00 C ATOM 1355 O GLN B1913 -4.874 3.058 -3.717 1.00 0.00 O ATOM 1356 CB GLN B1913 -6.944 1.094 -2.049 1.00 0.00 C ATOM 1357 CG GLN B1913 -7.070 -0.169 -2.886 1.00 0.00 C ATOM 1358 CD GLN B1913 -8.460 -0.774 -2.826 1.00 0.00 C ATOM 1359 OE1 GLN B1913 -9.436 -0.161 -3.259 1.00 0.00 O ATOM 1360 NE2 GLN B1913 -8.556 -1.985 -2.287 1.00 0.00 N ATOM 0 H GLN B1913 -5.893 1.514 0.149 1.00 0.00 H new ATOM 0 HA GLN B1913 -4.845 0.878 -2.400 1.00 0.00 H new ATOM 0 HB2 GLN B1913 -7.352 0.904 -1.056 1.00 0.00 H new ATOM 0 HB3 GLN B1913 -7.552 1.880 -2.498 1.00 0.00 H new ATOM 0 HG2 GLN B1913 -6.822 0.061 -3.922 1.00 0.00 H new ATOM 0 HG3 GLN B1913 -6.343 -0.904 -2.540 1.00 0.00 H new ATOM 0 HE21 GLN B1913 -7.721 -2.457 -1.941 1.00 0.00 H new ATOM 0 HE22 GLN B1913 -9.465 -2.443 -2.220 1.00 0.00 H new ATOM 1369 N ARG B1914 -5.713 4.004 -1.848 1.00 0.00 N ATOM 1370 CA ARG B1914 -5.598 5.367 -2.348 1.00 0.00 C ATOM 1371 C ARG B1914 -4.137 5.698 -2.635 1.00 0.00 C ATOM 1372 O ARG B1914 -3.827 6.441 -3.566 1.00 0.00 O ATOM 1373 CB ARG B1914 -6.170 6.357 -1.331 1.00 0.00 C ATOM 1374 CG ARG B1914 -6.584 7.688 -1.939 1.00 0.00 C ATOM 1375 CD ARG B1914 -7.216 8.604 -0.903 1.00 0.00 C ATOM 1376 NE ARG B1914 -8.365 9.330 -1.442 1.00 0.00 N ATOM 1377 CZ ARG B1914 -8.290 10.217 -2.435 1.00 0.00 C ATOM 1378 NH1 ARG B1914 -7.121 10.503 -3.001 1.00 0.00 N1+ ATOM 1379 NH2 ARG B1914 -9.389 10.822 -2.863 1.00 0.00 N ATOM 0 H ARG B1914 -6.099 3.932 -0.906 1.00 0.00 H new ATOM 0 HA ARG B1914 -6.168 5.448 -3.273 1.00 0.00 H new ATOM 0 HB2 ARG B1914 -7.035 5.905 -0.844 1.00 0.00 H new ATOM 0 HB3 ARG B1914 -5.426 6.538 -0.555 1.00 0.00 H new ATOM 0 HG2 ARG B1914 -5.712 8.177 -2.374 1.00 0.00 H new ATOM 0 HG3 ARG B1914 -7.290 7.514 -2.751 1.00 0.00 H new ATOM 0 HD2 ARG B1914 -7.531 8.015 -0.042 1.00 0.00 H new ATOM 0 HD3 ARG B1914 -6.472 9.316 -0.547 1.00 0.00 H new ATOM 0 HE ARG B1914 -9.281 9.147 -1.033 1.00 0.00 H new ATOM 0 HH11 ARG B1914 -6.271 10.042 -2.676 1.00 0.00 H new ATOM 0 HH12 ARG B1914 -7.075 11.183 -3.760 1.00 0.00 H new ATOM 0 HH21 ARG B1914 -10.289 10.609 -2.433 1.00 0.00 H new ATOM 0 HH22 ARG B1914 -9.335 11.501 -3.622 1.00 0.00 H new ATOM 1393 N ALA B1915 -3.243 5.127 -1.831 1.00 0.00 N ATOM 1394 CA ALA B1915 -1.813 5.347 -2.000 1.00 0.00 C ATOM 1395 C ALA B1915 -1.353 4.831 -3.358 1.00 0.00 C ATOM 1396 O ALA B1915 -0.619 5.510 -4.076 1.00 0.00 O ATOM 1397 CB ALA B1915 -1.037 4.670 -0.881 1.00 0.00 C ATOM 0 H ALA B1915 -3.486 4.509 -1.057 1.00 0.00 H new ATOM 0 HA ALA B1915 -1.619 6.419 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA B1915 0.030 4.844 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA B1915 -1.348 5.082 0.079 1.00 0.00 H new ATOM 0 HB3 ALA B1915 -1.235 3.598 -0.897 1.00 0.00 H new ATOM 1403 N TYR B1916 -1.801 3.626 -3.709 1.00 0.00 N ATOM 1404 CA TYR B1916 -1.450 3.017 -4.989 1.00 0.00 C ATOM 1405 C TYR B1916 -1.862 3.923 -6.143 1.00 0.00 C ATOM 1406 O TYR B1916 -1.158 4.027 -7.148 1.00 0.00 O ATOM 1407 CB TYR B1916 -2.123 1.650 -5.133 1.00 0.00 C ATOM 1408 CG TYR B1916 -1.800 0.693 -4.008 1.00 0.00 C ATOM 1409 CD1 TYR B1916 -0.507 0.583 -3.516 1.00 0.00 C ATOM 1410 CD2 TYR B1916 -2.789 -0.099 -3.439 1.00 0.00 C ATOM 1411 CE1 TYR B1916 -0.207 -0.289 -2.488 1.00 0.00 C ATOM 1412 CE2 TYR B1916 -2.497 -0.974 -2.409 1.00 0.00 C ATOM 1413 CZ TYR B1916 -1.206 -1.064 -1.938 1.00 0.00 C ATOM 1414 OH TYR B1916 -0.911 -1.932 -0.912 1.00 0.00 O ATOM 0 H TYR B1916 -2.408 3.053 -3.123 1.00 0.00 H new ATOM 0 HA TYR B1916 -0.369 2.882 -5.018 1.00 0.00 H new ATOM 0 HB2 TYR B1916 -3.203 1.790 -5.181 1.00 0.00 H new ATOM 0 HB3 TYR B1916 -1.817 1.202 -6.079 1.00 0.00 H new ATOM 0 HD1 TYR B1916 0.278 1.189 -3.944 1.00 0.00 H new ATOM 0 HD2 TYR B1916 -3.802 -0.030 -3.807 1.00 0.00 H new ATOM 0 HE1 TYR B1916 0.805 -0.363 -2.117 1.00 0.00 H new ATOM 0 HE2 TYR B1916 -3.277 -1.583 -1.976 1.00 0.00 H new ATOM 0 HH TYR B1916 -1.719 -2.426 -0.659 1.00 0.00 H new ATOM 1424 N ARG B1917 -3.003 4.590 -5.983 1.00 0.00 N ATOM 1425 CA ARG B1917 -3.501 5.504 -7.005 1.00 0.00 C ATOM 1426 C ARG B1917 -2.496 6.630 -7.234 1.00 0.00 C ATOM 1427 O ARG B1917 -2.119 6.921 -8.369 1.00 0.00 O ATOM 1428 CB ARG B1917 -4.860 6.078 -6.592 1.00 0.00 C ATOM 1429 CG ARG B1917 -6.038 5.402 -7.276 1.00 0.00 C ATOM 1430 CD ARG B1917 -7.362 5.771 -6.621 1.00 0.00 C ATOM 1431 NE ARG B1917 -8.229 6.525 -7.526 1.00 0.00 N ATOM 1432 CZ ARG B1917 -8.131 7.838 -7.737 1.00 0.00 C ATOM 1433 NH1 ARG B1917 -7.208 8.559 -7.110 1.00 0.00 N1+ ATOM 1434 NH2 ARG B1917 -8.964 8.434 -8.579 1.00 0.00 N ATOM 0 H ARG B1917 -3.598 4.514 -5.158 1.00 0.00 H new ATOM 0 HA ARG B1917 -3.629 4.952 -7.936 1.00 0.00 H new ATOM 0 HB2 ARG B1917 -4.973 5.982 -5.512 1.00 0.00 H new ATOM 0 HB3 ARG B1917 -4.880 7.144 -6.821 1.00 0.00 H new ATOM 0 HG2 ARG B1917 -6.061 5.688 -8.327 1.00 0.00 H new ATOM 0 HG3 ARG B1917 -5.905 4.321 -7.243 1.00 0.00 H new ATOM 0 HD2 ARG B1917 -7.874 4.863 -6.301 1.00 0.00 H new ATOM 0 HD3 ARG B1917 -7.171 6.362 -5.725 1.00 0.00 H new ATOM 0 HE ARG B1917 -8.955 6.014 -8.028 1.00 0.00 H new ATOM 0 HH11 ARG B1917 -6.565 8.109 -6.459 1.00 0.00 H new ATOM 0 HH12 ARG B1917 -7.143 9.563 -7.280 1.00 0.00 H new ATOM 0 HH21 ARG B1917 -9.677 7.888 -9.063 1.00 0.00 H new ATOM 0 HH22 ARG B1917 -8.892 9.438 -8.743 1.00 0.00 H new ATOM 1448 N ARG B1918 -2.053 7.244 -6.141 1.00 0.00 N ATOM 1449 CA ARG B1918 -1.075 8.323 -6.211 1.00 0.00 C ATOM 1450 C ARG B1918 0.231 7.807 -6.808 1.00 0.00 C ATOM 1451 O ARG B1918 0.929 8.520 -7.529 1.00 0.00 O ATOM 1452 CB ARG B1918 -0.824 8.898 -4.810 1.00 0.00 C ATOM 1453 CG ARG B1918 -1.406 10.290 -4.607 1.00 0.00 C ATOM 1454 CD ARG B1918 -2.402 10.324 -3.457 1.00 0.00 C ATOM 1455 NE ARG B1918 -2.943 11.664 -3.237 1.00 0.00 N ATOM 1456 CZ ARG B1918 -3.661 12.013 -2.169 1.00 0.00 C ATOM 1457 NH1 ARG B1918 -3.925 11.129 -1.213 1.00 0.00 N1+ ATOM 1458 NH2 ARG B1918 -4.117 13.253 -2.056 1.00 0.00 N ATOM 0 H ARG B1918 -2.357 7.012 -5.195 1.00 0.00 H new ATOM 0 HA ARG B1918 -1.467 9.114 -6.851 1.00 0.00 H new ATOM 0 HB2 ARG B1918 -1.251 8.223 -4.068 1.00 0.00 H new ATOM 0 HB3 ARG B1918 0.250 8.933 -4.628 1.00 0.00 H new ATOM 0 HG2 ARG B1918 -0.599 10.996 -4.410 1.00 0.00 H new ATOM 0 HG3 ARG B1918 -1.898 10.616 -5.524 1.00 0.00 H new ATOM 0 HD2 ARG B1918 -3.219 9.633 -3.665 1.00 0.00 H new ATOM 0 HD3 ARG B1918 -1.915 9.976 -2.546 1.00 0.00 H new ATOM 0 HE ARG B1918 -2.760 12.376 -3.944 1.00 0.00 H new ATOM 0 HH11 ARG B1918 -3.577 10.173 -1.292 1.00 0.00 H new ATOM 0 HH12 ARG B1918 -4.475 11.406 -0.400 1.00 0.00 H new ATOM 0 HH21 ARG B1918 -3.918 13.938 -2.785 1.00 0.00 H new ATOM 0 HH22 ARG B1918 -4.666 13.522 -1.240 1.00 0.00 H new ATOM 1472 N TYR B1919 0.549 6.557 -6.491 1.00 0.00 N ATOM 1473 CA TYR B1919 1.765 5.918 -6.977 1.00 0.00 C ATOM 1474 C TYR B1919 1.757 5.801 -8.500 1.00 0.00 C ATOM 1475 O TYR B1919 2.629 6.342 -9.179 1.00 0.00 O ATOM 1476 CB TYR B1919 1.904 4.531 -6.342 1.00 0.00 C ATOM 1477 CG TYR B1919 3.097 3.742 -6.840 1.00 0.00 C ATOM 1478 CD1 TYR B1919 4.385 4.251 -6.734 1.00 0.00 C ATOM 1479 CD2 TYR B1919 2.932 2.491 -7.419 1.00 0.00 C ATOM 1480 CE1 TYR B1919 5.475 3.534 -7.191 1.00 0.00 C ATOM 1481 CE2 TYR B1919 4.016 1.768 -7.879 1.00 0.00 C ATOM 1482 CZ TYR B1919 5.285 2.294 -7.762 1.00 0.00 C ATOM 1483 OH TYR B1919 6.368 1.577 -8.219 1.00 0.00 O ATOM 0 H TYR B1919 -0.025 5.962 -5.894 1.00 0.00 H new ATOM 0 HA TYR B1919 2.617 6.536 -6.694 1.00 0.00 H new ATOM 0 HB2 TYR B1919 1.982 4.644 -5.261 1.00 0.00 H new ATOM 0 HB3 TYR B1919 0.996 3.960 -6.538 1.00 0.00 H new ATOM 0 HD1 TYR B1919 4.537 5.222 -6.287 1.00 0.00 H new ATOM 0 HD2 TYR B1919 1.939 2.076 -7.511 1.00 0.00 H new ATOM 0 HE1 TYR B1919 6.470 3.943 -7.101 1.00 0.00 H new ATOM 0 HE2 TYR B1919 3.870 0.796 -8.328 1.00 0.00 H new ATOM 0 HH TYR B1919 6.062 0.724 -8.592 1.00 0.00 H new ATOM 1493 N LEU B1920 0.772 5.079 -9.025 1.00 0.00 N ATOM 1494 CA LEU B1920 0.651 4.873 -10.466 1.00 0.00 C ATOM 1495 C LEU B1920 0.620 6.203 -11.221 1.00 0.00 C ATOM 1496 O LEU B1920 1.184 6.322 -12.308 1.00 0.00 O ATOM 1497 CB LEU B1920 -0.606 4.049 -10.769 1.00 0.00 C ATOM 1498 CG LEU B1920 -0.355 2.729 -11.500 1.00 0.00 C ATOM 1499 CD1 LEU B1920 0.578 1.840 -10.692 1.00 0.00 C ATOM 1500 CD2 LEU B1920 -1.671 2.015 -11.772 1.00 0.00 C ATOM 0 H LEU B1920 0.044 4.625 -8.473 1.00 0.00 H new ATOM 0 HA LEU B1920 1.529 4.325 -10.808 1.00 0.00 H new ATOM 0 HB2 LEU B1920 -1.117 3.835 -9.830 1.00 0.00 H new ATOM 0 HB3 LEU B1920 -1.284 4.656 -11.369 1.00 0.00 H new ATOM 0 HG LEU B1920 0.123 2.948 -12.455 1.00 0.00 H new ATOM 0 HD11 LEU B1920 0.745 0.906 -11.228 1.00 0.00 H new ATOM 0 HD12 LEU B1920 1.530 2.350 -10.546 1.00 0.00 H new ATOM 0 HD13 LEU B1920 0.128 1.627 -9.722 1.00 0.00 H new ATOM 0 HD21 LEU B1920 -1.475 1.078 -12.293 1.00 0.00 H new ATOM 0 HD22 LEU B1920 -2.174 1.808 -10.828 1.00 0.00 H new ATOM 0 HD23 LEU B1920 -2.307 2.648 -12.391 1.00 0.00 H new