USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 488 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 44 MET CE :methyl -158:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 THR OG1 : rot -120:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -4.4 K(o=-4.4,f=-2.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= -0.347 (180deg=-0.663) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -1.88 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= -0.0727 (180deg=-0.723) USER MOD Single : A 54 MET CE :methyl -171:sc=-0.00395 (180deg=-0.151) USER MOD Single : A 57 SER OG : rot -160:sc= 0 USER MOD Single : A 59 THR OG1 : rot -13:sc= -0.406 USER MOD Single : A 60 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0151) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc=-0.00029 X(o=-0.00029,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.72 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -162:sc= -0.58 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 12 -6.310 5.657 -9.947 1.00 0.00 N ATOM 133 CA GLU A 12 -5.070 6.129 -9.342 1.00 0.00 C ATOM 134 C GLU A 12 -4.971 5.683 -7.886 1.00 0.00 C ATOM 135 O GLU A 12 -4.575 6.458 -7.015 1.00 0.00 O ATOM 136 CB GLU A 12 -4.982 7.654 -9.427 1.00 0.00 C ATOM 137 CG GLU A 12 -4.630 8.167 -10.814 1.00 0.00 C ATOM 138 CD GLU A 12 -5.848 8.338 -11.700 1.00 0.00 C ATOM 139 OE1 GLU A 12 -6.892 8.799 -11.192 1.00 0.00 O ATOM 140 OE2 GLU A 12 -5.757 8.012 -12.902 1.00 0.00 O ATOM 0 HA GLU A 12 -4.238 5.694 -9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.937 8.082 -9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.233 8.006 -8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.114 9.123 -10.723 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.935 7.474 -11.288 1.00 0.00 H new ATOM 147 N ILE A 13 -5.335 4.431 -7.631 1.00 0.00 N ATOM 148 CA ILE A 13 -5.287 3.882 -6.281 1.00 0.00 C ATOM 149 C ILE A 13 -4.896 2.409 -6.301 1.00 0.00 C ATOM 150 O ILE A 13 -5.334 1.651 -7.167 1.00 0.00 O ATOM 151 CB ILE A 13 -6.642 4.033 -5.564 1.00 0.00 C ATOM 152 CG1 ILE A 13 -7.078 5.499 -5.553 1.00 0.00 C ATOM 153 CG2 ILE A 13 -6.553 3.491 -4.145 1.00 0.00 C ATOM 154 CD1 ILE A 13 -8.333 5.751 -4.748 1.00 0.00 C ATOM 0 H ILE A 13 -5.666 3.778 -8.341 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.532 4.448 -5.736 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.390 3.455 -6.107 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.269 6.107 -5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.242 5.828 -6.579 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.518 3.605 -3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.283 2.435 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.795 4.044 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.582 6.811 -4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.156 5.170 -5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.167 5.453 -3.713 1.00 0.00 H new ATOM 166 N ILE A 14 -4.070 2.009 -5.339 1.00 0.00 N ATOM 167 CA ILE A 14 -3.622 0.625 -5.244 1.00 0.00 C ATOM 168 C ILE A 14 -3.755 0.101 -3.819 1.00 0.00 C ATOM 169 O ILE A 14 -3.170 0.652 -2.887 1.00 0.00 O ATOM 170 CB ILE A 14 -2.159 0.474 -5.700 1.00 0.00 C ATOM 171 CG1 ILE A 14 -1.832 1.502 -6.786 1.00 0.00 C ATOM 172 CG2 ILE A 14 -1.904 -0.938 -6.206 1.00 0.00 C ATOM 173 CD1 ILE A 14 -0.352 1.626 -7.074 1.00 0.00 C ATOM 0 H ILE A 14 -3.698 2.624 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.262 0.040 -5.905 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.507 0.656 -4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.351 1.226 -7.704 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.218 2.475 -6.482 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.866 -1.028 -6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.102 -1.652 -5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.562 -1.146 -7.050 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.194 2.372 -7.853 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.171 1.932 -6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.035 0.664 -7.409 1.00 0.00 H new ATOM 185 N GLU A 15 -4.528 -0.969 -3.657 1.00 0.00 N ATOM 186 CA GLU A 15 -4.736 -1.569 -2.344 1.00 0.00 C ATOM 187 C GLU A 15 -4.154 -2.978 -2.290 1.00 0.00 C ATOM 188 O GLU A 15 -4.212 -3.723 -3.268 1.00 0.00 O ATOM 189 CB GLU A 15 -6.229 -1.609 -2.008 1.00 0.00 C ATOM 190 CG GLU A 15 -6.551 -2.414 -0.761 1.00 0.00 C ATOM 191 CD GLU A 15 -7.995 -2.875 -0.721 1.00 0.00 C ATOM 192 OE1 GLU A 15 -8.608 -2.998 -1.802 1.00 0.00 O ATOM 193 OE2 GLU A 15 -8.511 -3.113 0.391 1.00 0.00 O ATOM 0 H GLU A 15 -5.020 -1.437 -4.418 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.221 -0.954 -1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.590 -0.589 -1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.772 -2.032 -2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.895 -3.283 -0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.342 -1.809 0.121 1.00 0.00 H new ATOM 200 N GLY A 16 -3.590 -3.336 -1.140 1.00 0.00 N ATOM 201 CA GLY A 16 -3.004 -4.654 -0.980 1.00 0.00 C ATOM 202 C GLY A 16 -2.810 -5.029 0.476 1.00 0.00 C ATOM 203 O GLY A 16 -3.048 -4.217 1.369 1.00 0.00 O ATOM 0 H GLY A 16 -3.529 -2.737 -0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.644 -5.394 -1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.042 -4.685 -1.491 1.00 0.00 H new ATOM 207 N GLU A 17 -2.378 -6.263 0.715 1.00 0.00 N ATOM 208 CA GLU A 17 -2.156 -6.744 2.073 1.00 0.00 C ATOM 209 C GLU A 17 -0.726 -6.459 2.524 1.00 0.00 C ATOM 210 O GLU A 17 0.217 -7.122 2.091 1.00 0.00 O ATOM 211 CB GLU A 17 -2.440 -8.245 2.160 1.00 0.00 C ATOM 212 CG GLU A 17 -2.118 -8.848 3.517 1.00 0.00 C ATOM 213 CD GLU A 17 -2.697 -10.239 3.689 1.00 0.00 C ATOM 214 OE1 GLU A 17 -3.919 -10.350 3.923 1.00 0.00 O ATOM 215 OE2 GLU A 17 -1.927 -11.218 3.589 1.00 0.00 O ATOM 0 H GLU A 17 -2.175 -6.947 -0.014 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.840 -6.213 2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.492 -8.421 1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.859 -8.761 1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.036 -8.890 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.506 -8.197 4.301 1.00 0.00 H new ATOM 222 N VAL A 18 -0.572 -5.468 3.396 1.00 0.00 N ATOM 223 CA VAL A 18 0.742 -5.095 3.906 1.00 0.00 C ATOM 224 C VAL A 18 1.600 -6.327 4.168 1.00 0.00 C ATOM 225 O VAL A 18 1.392 -7.045 5.146 1.00 0.00 O ATOM 226 CB VAL A 18 0.627 -4.276 5.205 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.004 -3.847 5.689 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.274 -3.068 4.996 1.00 0.00 C ATOM 0 H VAL A 18 -1.341 -4.909 3.764 1.00 0.00 H new ATOM 0 HA VAL A 18 1.217 -4.482 3.140 1.00 0.00 H new ATOM 0 HB VAL A 18 0.178 -4.906 5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.903 -3.269 6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.614 -4.730 5.881 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.483 -3.234 4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.344 -2.501 5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.143 -2.434 4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.268 -3.403 4.700 1.00 0.00 H new ATOM 238 N VAL A 19 2.566 -6.567 3.287 1.00 0.00 N ATOM 239 CA VAL A 19 3.458 -7.712 3.424 1.00 0.00 C ATOM 240 C VAL A 19 4.701 -7.348 4.227 1.00 0.00 C ATOM 241 O VAL A 19 5.016 -7.992 5.228 1.00 0.00 O ATOM 242 CB VAL A 19 3.890 -8.255 2.048 1.00 0.00 C ATOM 243 CG1 VAL A 19 4.867 -9.408 2.212 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.675 -8.685 1.241 1.00 0.00 C ATOM 0 H VAL A 19 2.751 -5.984 2.471 1.00 0.00 H new ATOM 0 HA VAL A 19 2.901 -8.485 3.953 1.00 0.00 H new ATOM 0 HB VAL A 19 4.396 -7.457 1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.161 -9.778 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.751 -9.063 2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.391 -10.211 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.998 -9.066 0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.140 -9.468 1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.015 -7.830 1.093 1.00 0.00 H new ATOM 254 N GLU A 20 5.404 -6.311 3.782 1.00 0.00 N ATOM 255 CA GLU A 20 6.614 -5.861 4.461 1.00 0.00 C ATOM 256 C GLU A 20 6.717 -4.339 4.437 1.00 0.00 C ATOM 257 O GLU A 20 6.348 -3.697 3.453 1.00 0.00 O ATOM 258 CB GLU A 20 7.852 -6.478 3.806 1.00 0.00 C ATOM 259 CG GLU A 20 9.017 -6.666 4.763 1.00 0.00 C ATOM 260 CD GLU A 20 10.151 -7.465 4.151 1.00 0.00 C ATOM 261 OE1 GLU A 20 9.876 -8.300 3.264 1.00 0.00 O ATOM 262 OE2 GLU A 20 11.312 -7.256 4.560 1.00 0.00 O ATOM 0 H GLU A 20 5.157 -5.767 2.955 1.00 0.00 H new ATOM 0 HA GLU A 20 6.560 -6.188 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.583 -7.445 3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.170 -5.842 2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.390 -5.689 5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.666 -7.171 5.663 1.00 0.00 H new ATOM 269 N ILE A 21 7.221 -3.769 5.526 1.00 0.00 N ATOM 270 CA ILE A 21 7.374 -2.323 5.630 1.00 0.00 C ATOM 271 C ILE A 21 8.787 -1.949 6.064 1.00 0.00 C ATOM 272 O ILE A 21 9.095 -1.926 7.255 1.00 0.00 O ATOM 273 CB ILE A 21 6.366 -1.721 6.628 1.00 0.00 C ATOM 274 CG1 ILE A 21 4.934 -2.037 6.193 1.00 0.00 C ATOM 275 CG2 ILE A 21 6.571 -0.218 6.744 1.00 0.00 C ATOM 276 CD1 ILE A 21 3.889 -1.620 7.205 1.00 0.00 C ATOM 0 H ILE A 21 7.530 -4.286 6.349 1.00 0.00 H new ATOM 0 HA ILE A 21 7.181 -1.913 4.639 1.00 0.00 H new ATOM 0 HB ILE A 21 6.535 -2.168 7.608 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.732 -1.536 5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.846 -3.108 6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.852 0.194 7.452 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.583 -0.015 7.095 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.425 0.245 5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.898 -1.875 6.830 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.066 -2.141 8.146 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.950 -0.544 7.368 1.00 0.00 H new ATOM 288 N GLN A 22 9.641 -1.655 5.089 1.00 0.00 N ATOM 289 CA GLN A 22 11.022 -1.281 5.370 1.00 0.00 C ATOM 290 C GLN A 22 11.144 0.223 5.590 1.00 0.00 C ATOM 291 O GLN A 22 10.478 1.014 4.921 1.00 0.00 O ATOM 292 CB GLN A 22 11.934 -1.716 4.222 1.00 0.00 C ATOM 293 CG GLN A 22 11.821 -3.193 3.881 1.00 0.00 C ATOM 294 CD GLN A 22 10.729 -3.477 2.869 1.00 0.00 C ATOM 295 OE1 GLN A 22 10.942 -3.365 1.662 1.00 0.00 O ATOM 296 NE2 GLN A 22 9.551 -3.846 3.357 1.00 0.00 N ATOM 0 H GLN A 22 9.401 -1.669 4.098 1.00 0.00 H new ATOM 0 HA GLN A 22 11.331 -1.790 6.283 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.695 -1.128 3.336 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.968 -1.490 4.485 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.775 -3.545 3.489 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.623 -3.758 4.792 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.419 -3.926 4.365 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.778 -4.050 2.724 1.00 0.00 H new ATOM 305 N ILE A 23 11.998 0.611 6.532 1.00 0.00 N ATOM 306 CA ILE A 23 12.207 2.020 6.839 1.00 0.00 C ATOM 307 C ILE A 23 13.692 2.341 6.966 1.00 0.00 C ATOM 308 O ILE A 23 14.435 1.630 7.644 1.00 0.00 O ATOM 309 CB ILE A 23 11.492 2.425 8.142 1.00 0.00 C ATOM 310 CG1 ILE A 23 9.979 2.259 7.992 1.00 0.00 C ATOM 311 CG2 ILE A 23 11.839 3.859 8.513 1.00 0.00 C ATOM 312 CD1 ILE A 23 9.342 3.302 7.101 1.00 0.00 C ATOM 0 H ILE A 23 12.556 -0.031 7.095 1.00 0.00 H new ATOM 0 HA ILE A 23 11.785 2.589 6.011 1.00 0.00 H new ATOM 0 HB ILE A 23 11.832 1.770 8.944 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.769 1.269 7.587 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.517 2.304 8.978 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.326 4.130 9.436 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.916 3.947 8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.524 4.528 7.712 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.269 3.122 7.041 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.521 4.294 7.516 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.777 3.243 6.103 1.00 0.00 H new ATOM 437 N LYS A 33 13.955 11.366 4.681 1.00 0.00 N ATOM 438 CA LYS A 33 13.420 10.073 5.091 1.00 0.00 C ATOM 439 C LYS A 33 13.029 9.237 3.876 1.00 0.00 C ATOM 440 O LYS A 33 12.474 9.754 2.907 1.00 0.00 O ATOM 441 CB LYS A 33 12.206 10.266 6.003 1.00 0.00 C ATOM 442 CG LYS A 33 12.569 10.661 7.423 1.00 0.00 C ATOM 443 CD LYS A 33 11.475 10.278 8.406 1.00 0.00 C ATOM 444 CE LYS A 33 10.247 11.160 8.244 1.00 0.00 C ATOM 445 NZ LYS A 33 10.372 12.432 9.007 1.00 0.00 N ATOM 0 HA LYS A 33 14.198 9.543 5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.559 11.032 5.576 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.630 9.341 6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.502 10.176 7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.741 11.736 7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.198 9.235 8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.854 10.363 9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.098 11.384 7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.364 10.619 8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.515 13.005 8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.489 12.220 10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.200 12.961 8.666 1.00 0.00 H new ATOM 459 N VAL A 34 13.320 7.941 3.937 1.00 0.00 N ATOM 460 CA VAL A 34 12.997 7.033 2.843 1.00 0.00 C ATOM 461 C VAL A 34 12.618 5.653 3.368 1.00 0.00 C ATOM 462 O VAL A 34 13.222 5.151 4.315 1.00 0.00 O ATOM 463 CB VAL A 34 14.177 6.891 1.863 1.00 0.00 C ATOM 464 CG1 VAL A 34 14.567 8.248 1.297 1.00 0.00 C ATOM 465 CG2 VAL A 34 15.362 6.230 2.550 1.00 0.00 C ATOM 0 H VAL A 34 13.779 7.497 4.732 1.00 0.00 H new ATOM 0 HA VAL A 34 12.146 7.464 2.315 1.00 0.00 H new ATOM 0 HB VAL A 34 13.865 6.255 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.402 8.128 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.717 8.679 0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.861 8.911 2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 34 16.187 6.137 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.677 6.838 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 34 15.073 5.240 2.902 1.00 0.00 H new ATOM 475 N GLY A 35 11.613 5.044 2.746 1.00 0.00 N ATOM 476 CA GLY A 35 11.171 3.726 3.164 1.00 0.00 C ATOM 477 C GLY A 35 10.566 2.929 2.026 1.00 0.00 C ATOM 478 O GLY A 35 10.191 3.489 0.996 1.00 0.00 O ATOM 0 H GLY A 35 11.097 5.440 1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.017 3.177 3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.436 3.829 3.962 1.00 0.00 H new ATOM 482 N LYS A 36 10.472 1.617 2.210 1.00 0.00 N ATOM 483 CA LYS A 36 9.908 0.739 1.190 1.00 0.00 C ATOM 484 C LYS A 36 8.700 -0.018 1.731 1.00 0.00 C ATOM 485 O LYS A 36 8.619 -0.305 2.927 1.00 0.00 O ATOM 486 CB LYS A 36 10.967 -0.251 0.699 1.00 0.00 C ATOM 487 CG LYS A 36 10.677 -0.816 -0.681 1.00 0.00 C ATOM 488 CD LYS A 36 10.995 0.191 -1.774 1.00 0.00 C ATOM 489 CE LYS A 36 12.447 0.094 -2.215 1.00 0.00 C ATOM 490 NZ LYS A 36 12.752 -1.223 -2.838 1.00 0.00 N ATOM 0 H LYS A 36 10.779 1.137 3.056 1.00 0.00 H new ATOM 0 HA LYS A 36 9.581 1.357 0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.937 0.246 0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.042 -1.073 1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.265 -1.720 -0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.628 -1.104 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.342 0.020 -2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.790 1.199 -1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.664 0.891 -2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.099 0.248 -1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.648 -1.160 -3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.834 -1.947 -2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.987 -1.483 -3.492 1.00 0.00 H new ATOM 504 N LEU A 37 7.765 -0.341 0.845 1.00 0.00 N ATOM 505 CA LEU A 37 6.561 -1.067 1.234 1.00 0.00 C ATOM 506 C LEU A 37 6.221 -2.146 0.210 1.00 0.00 C ATOM 507 O LEU A 37 6.445 -1.973 -0.988 1.00 0.00 O ATOM 508 CB LEU A 37 5.384 -0.101 1.383 1.00 0.00 C ATOM 509 CG LEU A 37 3.991 -0.732 1.369 1.00 0.00 C ATOM 510 CD1 LEU A 37 3.695 -1.401 2.702 1.00 0.00 C ATOM 511 CD2 LEU A 37 2.935 0.315 1.049 1.00 0.00 C ATOM 0 H LEU A 37 7.817 -0.112 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 37 6.751 -1.549 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.504 0.445 2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.437 0.632 0.578 1.00 0.00 H new ATOM 0 HG LEU A 37 3.966 -1.494 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.700 -1.844 2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.434 -2.180 2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.739 -0.659 3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.950 -0.152 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.960 1.100 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.137 0.748 0.069 1.00 0.00 H new ATOM 523 N THR A 38 5.677 -3.260 0.690 1.00 0.00 N ATOM 524 CA THR A 38 5.305 -4.366 -0.183 1.00 0.00 C ATOM 525 C THR A 38 3.858 -4.788 0.050 1.00 0.00 C ATOM 526 O THR A 38 3.451 -5.046 1.183 1.00 0.00 O ATOM 527 CB THR A 38 6.223 -5.584 0.031 1.00 0.00 C ATOM 528 OG1 THR A 38 7.591 -5.205 -0.155 1.00 0.00 O ATOM 529 CG2 THR A 38 5.867 -6.706 -0.932 1.00 0.00 C ATOM 0 H THR A 38 5.484 -3.420 1.679 1.00 0.00 H new ATOM 0 HA THR A 38 5.417 -4.011 -1.207 1.00 0.00 H new ATOM 0 HB THR A 38 6.081 -5.943 1.050 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.168 -5.985 -0.015 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.529 -7.555 -0.762 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.834 -7.012 -0.768 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.983 -6.356 -1.958 1.00 0.00 H new ATOM 537 N LEU A 39 3.086 -4.856 -1.029 1.00 0.00 N ATOM 538 CA LEU A 39 1.684 -5.248 -0.943 1.00 0.00 C ATOM 539 C LEU A 39 1.352 -6.318 -1.978 1.00 0.00 C ATOM 540 O LEU A 39 1.650 -6.165 -3.163 1.00 0.00 O ATOM 541 CB LEU A 39 0.780 -4.030 -1.144 1.00 0.00 C ATOM 542 CG LEU A 39 0.304 -3.329 0.129 1.00 0.00 C ATOM 543 CD1 LEU A 39 1.476 -2.686 0.854 1.00 0.00 C ATOM 544 CD2 LEU A 39 -0.758 -2.290 -0.200 1.00 0.00 C ATOM 0 H LEU A 39 3.407 -4.645 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 39 1.509 -5.663 0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.314 -3.304 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.096 -4.343 -1.712 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.139 -4.075 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.118 -2.192 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.202 -3.453 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.949 -1.952 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.085 -1.801 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.341 -1.546 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.609 -2.778 -0.675 1.00 0.00 H new ATOM 556 N LYS A 40 0.732 -7.401 -1.523 1.00 0.00 N ATOM 557 CA LYS A 40 0.356 -8.497 -2.409 1.00 0.00 C ATOM 558 C LYS A 40 -1.087 -8.344 -2.880 1.00 0.00 C ATOM 559 O LYS A 40 -2.027 -8.655 -2.148 1.00 0.00 O ATOM 560 CB LYS A 40 0.532 -9.840 -1.696 1.00 0.00 C ATOM 561 CG LYS A 40 0.603 -11.026 -2.642 1.00 0.00 C ATOM 562 CD LYS A 40 0.748 -12.335 -1.885 1.00 0.00 C ATOM 563 CE LYS A 40 -0.583 -12.800 -1.315 1.00 0.00 C ATOM 564 NZ LYS A 40 -0.478 -14.146 -0.687 1.00 0.00 N ATOM 0 H LYS A 40 0.479 -7.544 -0.545 1.00 0.00 H new ATOM 0 HA LYS A 40 1.010 -8.468 -3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.443 -9.808 -1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.298 -9.986 -1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.297 -11.057 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.447 -10.901 -3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.146 -13.100 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.468 -12.211 -1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.932 -12.080 -0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.329 -12.827 -2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.406 -14.427 -0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.169 -14.838 -1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.215 -14.114 0.088 1.00 0.00 H new ATOM 621 N MET A 44 -0.293 -10.442 -7.518 1.00 0.00 N ATOM 622 CA MET A 44 0.953 -9.759 -7.847 1.00 0.00 C ATOM 623 C MET A 44 1.373 -8.822 -6.719 1.00 0.00 C ATOM 624 O MET A 44 0.632 -7.913 -6.347 1.00 0.00 O ATOM 625 CB MET A 44 0.799 -8.971 -9.149 1.00 0.00 C ATOM 626 CG MET A 44 1.695 -7.745 -9.227 1.00 0.00 C ATOM 627 SD MET A 44 1.565 -6.890 -10.809 1.00 0.00 S ATOM 628 CE MET A 44 0.764 -5.369 -10.306 1.00 0.00 C ATOM 0 HA MET A 44 1.729 -10.514 -7.977 1.00 0.00 H new ATOM 0 HB2 MET A 44 1.022 -9.628 -9.990 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.240 -8.659 -9.255 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.433 -7.057 -8.424 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.730 -8.045 -9.065 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.269 -4.917 -11.165 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.026 -5.585 -9.534 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.510 -4.678 -9.912 1.00 0.00 H new ATOM 638 N GLU A 45 2.566 -9.051 -6.179 1.00 0.00 N ATOM 639 CA GLU A 45 3.083 -8.227 -5.093 1.00 0.00 C ATOM 640 C GLU A 45 4.067 -7.186 -5.620 1.00 0.00 C ATOM 641 O GLU A 45 5.140 -7.525 -6.119 1.00 0.00 O ATOM 642 CB GLU A 45 3.766 -9.102 -4.039 1.00 0.00 C ATOM 643 CG GLU A 45 3.775 -8.487 -2.650 1.00 0.00 C ATOM 644 CD GLU A 45 4.163 -9.483 -1.574 1.00 0.00 C ATOM 645 OE1 GLU A 45 3.493 -10.531 -1.465 1.00 0.00 O ATOM 646 OE2 GLU A 45 5.138 -9.213 -0.841 1.00 0.00 O ATOM 0 H GLU A 45 3.192 -9.800 -6.476 1.00 0.00 H new ATOM 0 HA GLU A 45 2.242 -7.707 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.260 -10.067 -3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.793 -9.294 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.472 -7.649 -2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.786 -8.085 -2.428 1.00 0.00 H new ATOM 653 N THR A 46 3.692 -5.915 -5.506 1.00 0.00 N ATOM 654 CA THR A 46 4.539 -4.824 -5.972 1.00 0.00 C ATOM 655 C THR A 46 5.185 -4.091 -4.802 1.00 0.00 C ATOM 656 O THR A 46 4.616 -4.020 -3.712 1.00 0.00 O ATOM 657 CB THR A 46 3.740 -3.815 -6.817 1.00 0.00 C ATOM 658 OG1 THR A 46 3.026 -4.500 -7.853 1.00 0.00 O ATOM 659 CG2 THR A 46 4.663 -2.775 -7.433 1.00 0.00 C ATOM 0 H THR A 46 2.807 -5.616 -5.095 1.00 0.00 H new ATOM 0 HA THR A 46 5.317 -5.270 -6.591 1.00 0.00 H new ATOM 0 HB THR A 46 3.031 -3.307 -6.163 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.317 -4.166 -8.727 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.076 -2.073 -8.025 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.183 -2.236 -6.641 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.392 -3.270 -8.074 1.00 0.00 H new ATOM 667 N ILE A 47 6.375 -3.548 -5.034 1.00 0.00 N ATOM 668 CA ILE A 47 7.096 -2.818 -3.999 1.00 0.00 C ATOM 669 C ILE A 47 6.975 -1.312 -4.202 1.00 0.00 C ATOM 670 O ILE A 47 7.624 -0.739 -5.077 1.00 0.00 O ATOM 671 CB ILE A 47 8.587 -3.203 -3.974 1.00 0.00 C ATOM 672 CG1 ILE A 47 8.745 -4.699 -3.692 1.00 0.00 C ATOM 673 CG2 ILE A 47 9.329 -2.381 -2.931 1.00 0.00 C ATOM 674 CD1 ILE A 47 10.112 -5.240 -4.047 1.00 0.00 C ATOM 0 H ILE A 47 6.860 -3.600 -5.930 1.00 0.00 H new ATOM 0 HA ILE A 47 6.642 -3.091 -3.046 1.00 0.00 H new ATOM 0 HB ILE A 47 9.019 -2.989 -4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.554 -4.883 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.989 -5.248 -4.253 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.381 -2.665 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.240 -1.322 -3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.898 -2.567 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.152 -6.306 -3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.299 -5.088 -5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.872 -4.717 -3.466 1.00 0.00 H new ATOM 686 N TYR A 48 6.142 -0.676 -3.387 1.00 0.00 N ATOM 687 CA TYR A 48 5.935 0.765 -3.477 1.00 0.00 C ATOM 688 C TYR A 48 7.016 1.520 -2.710 1.00 0.00 C ATOM 689 O TYR A 48 7.310 1.204 -1.556 1.00 0.00 O ATOM 690 CB TYR A 48 4.554 1.138 -2.934 1.00 0.00 C ATOM 691 CG TYR A 48 3.435 0.288 -3.490 1.00 0.00 C ATOM 692 CD1 TYR A 48 3.417 -0.082 -4.830 1.00 0.00 C ATOM 693 CD2 TYR A 48 2.395 -0.145 -2.677 1.00 0.00 C ATOM 694 CE1 TYR A 48 2.396 -0.859 -5.343 1.00 0.00 C ATOM 695 CE2 TYR A 48 1.370 -0.923 -3.181 1.00 0.00 C ATOM 696 CZ TYR A 48 1.375 -1.277 -4.515 1.00 0.00 C ATOM 697 OH TYR A 48 0.356 -2.050 -5.021 1.00 0.00 O ATOM 0 H TYR A 48 5.599 -1.135 -2.656 1.00 0.00 H new ATOM 0 HA TYR A 48 5.994 1.050 -4.527 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.563 1.047 -1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.353 2.184 -3.164 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.215 0.243 -5.481 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.387 0.131 -1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.397 -1.137 -6.386 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.570 -1.252 -2.535 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.281 -2.259 -4.307 1.00 0.00 H new ATOM 707 N ASP A 49 7.605 2.518 -3.358 1.00 0.00 N ATOM 708 CA ASP A 49 8.653 3.321 -2.738 1.00 0.00 C ATOM 709 C ASP A 49 8.054 4.480 -1.948 1.00 0.00 C ATOM 710 O ASP A 49 7.132 5.152 -2.412 1.00 0.00 O ATOM 711 CB ASP A 49 9.612 3.855 -3.803 1.00 0.00 C ATOM 712 CG ASP A 49 10.721 4.703 -3.210 1.00 0.00 C ATOM 713 OD1 ASP A 49 11.351 4.254 -2.229 1.00 0.00 O ATOM 714 OD2 ASP A 49 10.958 5.815 -3.725 1.00 0.00 O ATOM 0 H ASP A 49 7.375 2.791 -4.313 1.00 0.00 H new ATOM 0 HA ASP A 49 9.206 2.683 -2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.050 3.018 -4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.053 4.448 -4.527 1.00 0.00 H new ATOM 719 N LEU A 50 8.582 4.708 -0.750 1.00 0.00 N ATOM 720 CA LEU A 50 8.099 5.785 0.107 1.00 0.00 C ATOM 721 C LEU A 50 9.116 6.920 0.180 1.00 0.00 C ATOM 722 O LEU A 50 10.232 6.801 -0.324 1.00 0.00 O ATOM 723 CB LEU A 50 7.808 5.255 1.511 1.00 0.00 C ATOM 724 CG LEU A 50 6.972 3.977 1.586 1.00 0.00 C ATOM 725 CD1 LEU A 50 6.919 3.456 3.014 1.00 0.00 C ATOM 726 CD2 LEU A 50 5.568 4.227 1.056 1.00 0.00 C ATOM 0 H LEU A 50 9.345 4.161 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 50 7.177 6.174 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.758 5.074 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.294 6.035 2.073 1.00 0.00 H new ATOM 0 HG LEU A 50 7.446 3.219 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.320 2.546 3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.930 3.238 3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.470 4.210 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.987 3.307 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.086 5.001 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.624 4.553 0.017 1.00 0.00 H new ATOM 738 N GLY A 51 8.722 8.021 0.813 1.00 0.00 N ATOM 739 CA GLY A 51 9.611 9.160 0.942 1.00 0.00 C ATOM 740 C GLY A 51 9.559 9.783 2.324 1.00 0.00 C ATOM 741 O GLY A 51 10.140 9.257 3.273 1.00 0.00 O ATOM 0 H GLY A 51 7.803 8.144 1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.632 8.846 0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.345 9.911 0.198 1.00 0.00 H new ATOM 745 N THR A 52 8.861 10.909 2.437 1.00 0.00 N ATOM 746 CA THR A 52 8.736 11.605 3.711 1.00 0.00 C ATOM 747 C THR A 52 7.273 11.821 4.080 1.00 0.00 C ATOM 748 O THR A 52 6.860 11.557 5.209 1.00 0.00 O ATOM 749 CB THR A 52 9.452 12.969 3.678 1.00 0.00 C ATOM 750 OG1 THR A 52 10.798 12.805 3.217 1.00 0.00 O ATOM 751 CG2 THR A 52 9.458 13.611 5.057 1.00 0.00 C ATOM 0 H THR A 52 8.374 11.358 1.661 1.00 0.00 H new ATOM 0 HA THR A 52 9.207 10.973 4.463 1.00 0.00 H new ATOM 0 HB THR A 52 8.911 13.622 2.993 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.246 13.677 3.197 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.969 14.573 5.008 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.432 13.762 5.393 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.978 12.959 5.759 1.00 0.00 H new ATOM 759 N LYS A 53 6.491 12.304 3.119 1.00 0.00 N ATOM 760 CA LYS A 53 5.072 12.554 3.341 1.00 0.00 C ATOM 761 C LYS A 53 4.299 11.243 3.453 1.00 0.00 C ATOM 762 O LYS A 53 3.397 11.113 4.279 1.00 0.00 O ATOM 763 CB LYS A 53 4.498 13.401 2.203 1.00 0.00 C ATOM 764 CG LYS A 53 4.851 14.875 2.304 1.00 0.00 C ATOM 765 CD LYS A 53 6.151 15.188 1.584 1.00 0.00 C ATOM 766 CE LYS A 53 5.908 15.550 0.127 1.00 0.00 C ATOM 767 NZ LYS A 53 5.922 14.349 -0.754 1.00 0.00 N ATOM 0 H LYS A 53 6.817 12.530 2.179 1.00 0.00 H new ATOM 0 HA LYS A 53 4.967 13.098 4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.864 13.013 1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.413 13.296 2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.045 15.473 1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.938 15.158 3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.656 16.013 2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.816 14.326 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.948 16.057 0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.673 16.252 -0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.127 14.638 -1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.655 13.688 -0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.994 13.882 -0.719 1.00 0.00 H new ATOM 781 N MET A 54 4.661 10.275 2.617 1.00 0.00 N ATOM 782 CA MET A 54 4.003 8.974 2.625 1.00 0.00 C ATOM 783 C MET A 54 4.185 8.281 3.972 1.00 0.00 C ATOM 784 O MET A 54 3.227 7.763 4.548 1.00 0.00 O ATOM 785 CB MET A 54 4.558 8.091 1.505 1.00 0.00 C ATOM 786 CG MET A 54 3.794 8.217 0.197 1.00 0.00 C ATOM 787 SD MET A 54 3.996 6.775 -0.866 1.00 0.00 S ATOM 788 CE MET A 54 2.524 6.894 -1.880 1.00 0.00 C ATOM 0 H MET A 54 5.406 10.367 1.926 1.00 0.00 H new ATOM 0 HA MET A 54 2.937 9.133 2.459 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.603 8.351 1.333 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.537 7.051 1.830 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.735 8.360 0.412 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.135 9.106 -0.334 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.420 5.989 -2.479 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.649 7.008 -1.240 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.605 7.758 -2.540 1.00 0.00 H new ATOM 798 N ILE A 55 5.417 8.275 4.468 1.00 0.00 N ATOM 799 CA ILE A 55 5.723 7.647 5.747 1.00 0.00 C ATOM 800 C ILE A 55 5.014 8.361 6.894 1.00 0.00 C ATOM 801 O ILE A 55 4.434 7.722 7.770 1.00 0.00 O ATOM 802 CB ILE A 55 7.238 7.636 6.022 1.00 0.00 C ATOM 803 CG1 ILE A 55 7.961 6.780 4.980 1.00 0.00 C ATOM 804 CG2 ILE A 55 7.518 7.122 7.426 1.00 0.00 C ATOM 805 CD1 ILE A 55 9.464 6.951 4.996 1.00 0.00 C ATOM 0 H ILE A 55 6.220 8.698 4.003 1.00 0.00 H new ATOM 0 HA ILE A 55 5.366 6.619 5.686 1.00 0.00 H new ATOM 0 HB ILE A 55 7.613 8.657 5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.721 5.731 5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.585 7.034 3.989 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.593 7.120 7.605 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.030 7.769 8.155 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.132 6.108 7.526 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.911 6.315 4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.714 7.992 4.793 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.852 6.669 5.975 1.00 0.00 H new ATOM 817 N GLU A 56 5.066 9.689 6.878 1.00 0.00 N ATOM 818 CA GLU A 56 4.428 10.489 7.917 1.00 0.00 C ATOM 819 C GLU A 56 3.037 9.951 8.241 1.00 0.00 C ATOM 820 O GLU A 56 2.546 10.105 9.360 1.00 0.00 O ATOM 821 CB GLU A 56 4.331 11.952 7.477 1.00 0.00 C ATOM 822 CG GLU A 56 5.565 12.772 7.813 1.00 0.00 C ATOM 823 CD GLU A 56 5.601 13.202 9.267 1.00 0.00 C ATOM 824 OE1 GLU A 56 5.401 12.337 10.146 1.00 0.00 O ATOM 825 OE2 GLU A 56 5.829 14.402 9.526 1.00 0.00 O ATOM 0 H GLU A 56 5.542 10.233 6.159 1.00 0.00 H new ATOM 0 HA GLU A 56 5.041 10.427 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.163 11.988 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.462 12.408 7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.457 12.188 7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.594 13.656 7.176 1.00 0.00 H new ATOM 832 N SER A 57 2.408 9.320 7.255 1.00 0.00 N ATOM 833 CA SER A 57 1.073 8.763 7.433 1.00 0.00 C ATOM 834 C SER A 57 1.143 7.379 8.073 1.00 0.00 C ATOM 835 O SER A 57 0.414 7.083 9.021 1.00 0.00 O ATOM 836 CB SER A 57 0.348 8.679 6.088 1.00 0.00 C ATOM 837 OG SER A 57 0.085 9.971 5.570 1.00 0.00 O ATOM 0 H SER A 57 2.802 9.182 6.324 1.00 0.00 H new ATOM 0 HA SER A 57 0.516 9.424 8.097 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.955 8.116 5.379 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.589 8.135 6.209 1.00 0.00 H new ATOM 0 HG SER A 57 -0.631 9.917 4.903 1.00 0.00 H new ATOM 843 N LEU A 58 2.024 6.536 7.548 1.00 0.00 N ATOM 844 CA LEU A 58 2.191 5.182 8.067 1.00 0.00 C ATOM 845 C LEU A 58 2.508 5.206 9.558 1.00 0.00 C ATOM 846 O LEU A 58 2.441 4.179 10.235 1.00 0.00 O ATOM 847 CB LEU A 58 3.304 4.458 7.308 1.00 0.00 C ATOM 848 CG LEU A 58 3.189 4.459 5.784 1.00 0.00 C ATOM 849 CD1 LEU A 58 4.018 3.334 5.185 1.00 0.00 C ATOM 850 CD2 LEU A 58 1.733 4.335 5.359 1.00 0.00 C ATOM 0 H LEU A 58 2.634 6.765 6.763 1.00 0.00 H new ATOM 0 HA LEU A 58 1.253 4.645 7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.257 4.912 7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.335 3.423 7.649 1.00 0.00 H new ATOM 0 HG LEU A 58 3.577 5.407 5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.924 3.351 4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.064 3.467 5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.661 2.377 5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.670 4.337 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.320 3.403 5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.165 5.176 5.757 1.00 0.00 H new ATOM 862 N THR A 59 2.851 6.386 10.067 1.00 0.00 N ATOM 863 CA THR A 59 3.177 6.544 11.478 1.00 0.00 C ATOM 864 C THR A 59 1.935 6.885 12.294 1.00 0.00 C ATOM 865 O THR A 59 1.740 6.367 13.394 1.00 0.00 O ATOM 866 CB THR A 59 4.235 7.643 11.691 1.00 0.00 C ATOM 867 OG1 THR A 59 3.807 8.861 11.072 1.00 0.00 O ATOM 868 CG2 THR A 59 5.578 7.220 11.114 1.00 0.00 C ATOM 0 H THR A 59 2.910 7.246 9.522 1.00 0.00 H new ATOM 0 HA THR A 59 3.581 5.590 11.818 1.00 0.00 H new ATOM 0 HB THR A 59 4.352 7.802 12.763 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.048 8.678 10.479 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.309 8.012 11.276 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.915 6.308 11.607 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.473 7.037 10.045 1.00 0.00 H new ATOM 876 N LYS A 60 1.097 7.761 11.750 1.00 0.00 N ATOM 877 CA LYS A 60 -0.128 8.171 12.426 1.00 0.00 C ATOM 878 C LYS A 60 -1.007 6.964 12.739 1.00 0.00 C ATOM 879 O LYS A 60 -1.469 6.797 13.867 1.00 0.00 O ATOM 880 CB LYS A 60 -0.902 9.169 11.562 1.00 0.00 C ATOM 881 CG LYS A 60 -0.099 10.404 11.192 1.00 0.00 C ATOM 882 CD LYS A 60 0.207 11.257 12.413 1.00 0.00 C ATOM 883 CE LYS A 60 0.318 12.730 12.050 1.00 0.00 C ATOM 884 NZ LYS A 60 -1.019 13.348 11.830 1.00 0.00 N ATOM 0 H LYS A 60 1.244 8.201 10.842 1.00 0.00 H new ATOM 0 HA LYS A 60 0.148 8.650 13.365 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.227 8.670 10.649 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.802 9.477 12.095 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.833 10.103 10.714 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.654 10.995 10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.577 11.123 13.158 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.139 10.922 12.868 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.838 13.262 12.847 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.921 12.838 11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.924 14.161 11.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.661 12.646 11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.407 13.669 12.740 1.00 0.00 H new ATOM 898 N ASP A 61 -1.232 6.126 11.733 1.00 0.00 N ATOM 899 CA ASP A 61 -2.053 4.933 11.902 1.00 0.00 C ATOM 900 C ASP A 61 -1.203 3.745 12.341 1.00 0.00 C ATOM 901 O ASP A 61 -1.714 2.645 12.550 1.00 0.00 O ATOM 902 CB ASP A 61 -2.781 4.600 10.598 1.00 0.00 C ATOM 903 CG ASP A 61 -4.123 5.297 10.491 1.00 0.00 C ATOM 904 OD1 ASP A 61 -4.776 5.492 11.538 1.00 0.00 O ATOM 905 OD2 ASP A 61 -4.522 5.646 9.360 1.00 0.00 O ATOM 0 H ASP A 61 -0.858 6.251 10.792 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.789 5.137 12.679 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.156 4.888 9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.928 3.522 10.532 1.00 0.00 H new ATOM 910 N LYS A 62 0.099 3.975 12.479 1.00 0.00 N ATOM 911 CA LYS A 62 1.022 2.925 12.893 1.00 0.00 C ATOM 912 C LYS A 62 0.789 1.648 12.092 1.00 0.00 C ATOM 913 O LYS A 62 0.662 0.562 12.658 1.00 0.00 O ATOM 914 CB LYS A 62 0.862 2.637 14.388 1.00 0.00 C ATOM 915 CG LYS A 62 1.202 3.823 15.275 1.00 0.00 C ATOM 916 CD LYS A 62 0.450 3.765 16.594 1.00 0.00 C ATOM 917 CE LYS A 62 1.191 4.516 17.690 1.00 0.00 C ATOM 918 NZ LYS A 62 0.421 4.539 18.965 1.00 0.00 N ATOM 0 H LYS A 62 0.538 4.880 12.310 1.00 0.00 H new ATOM 0 HA LYS A 62 2.037 3.273 12.702 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.166 2.331 14.583 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.501 1.797 14.658 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.275 3.839 15.467 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.957 4.749 14.756 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.544 4.193 16.466 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.314 2.725 16.891 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.160 4.047 17.860 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.384 5.538 17.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.959 5.060 19.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.494 5.009 18.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.259 3.565 19.290 1.00 0.00 H new ATOM 932 N VAL A 63 0.735 1.786 10.771 1.00 0.00 N ATOM 933 CA VAL A 63 0.521 0.643 9.891 1.00 0.00 C ATOM 934 C VAL A 63 1.491 -0.488 10.213 1.00 0.00 C ATOM 935 O VAL A 63 2.605 -0.249 10.677 1.00 0.00 O ATOM 936 CB VAL A 63 0.681 1.036 8.411 1.00 0.00 C ATOM 937 CG1 VAL A 63 0.630 -0.197 7.522 1.00 0.00 C ATOM 938 CG2 VAL A 63 -0.390 2.038 8.007 1.00 0.00 C ATOM 0 H VAL A 63 0.836 2.678 10.287 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.500 0.301 10.060 1.00 0.00 H new ATOM 0 HB VAL A 63 1.655 1.508 8.282 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.745 0.101 6.480 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.437 -0.877 7.796 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.328 -0.700 7.652 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.262 2.305 6.958 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.375 1.595 8.151 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.301 2.933 8.622 1.00 0.00 H new ATOM 948 N GLN A 64 1.059 -1.720 9.963 1.00 0.00 N ATOM 949 CA GLN A 64 1.890 -2.889 10.226 1.00 0.00 C ATOM 950 C GLN A 64 1.498 -4.051 9.321 1.00 0.00 C ATOM 951 O GLN A 64 0.449 -4.023 8.678 1.00 0.00 O ATOM 952 CB GLN A 64 1.769 -3.306 11.693 1.00 0.00 C ATOM 953 CG GLN A 64 2.401 -2.319 12.661 1.00 0.00 C ATOM 954 CD GLN A 64 2.646 -2.919 14.031 1.00 0.00 C ATOM 955 OE1 GLN A 64 1.977 -2.568 15.004 1.00 0.00 O ATOM 956 NE2 GLN A 64 3.608 -3.831 14.115 1.00 0.00 N ATOM 0 H GLN A 64 0.139 -1.934 9.579 1.00 0.00 H new ATOM 0 HA GLN A 64 2.926 -2.622 10.015 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.714 -3.422 11.943 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.237 -4.281 11.824 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.347 -1.967 12.249 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.753 -1.448 12.761 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.137 -4.092 13.283 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.817 -4.271 15.011 1.00 0.00 H new ATOM 965 N ALA A 65 2.348 -5.072 9.275 1.00 0.00 N ATOM 966 CA ALA A 65 2.089 -6.245 8.449 1.00 0.00 C ATOM 967 C ALA A 65 0.817 -6.959 8.893 1.00 0.00 C ATOM 968 O ALA A 65 0.522 -7.040 10.085 1.00 0.00 O ATOM 969 CB ALA A 65 3.275 -7.197 8.498 1.00 0.00 C ATOM 0 H ALA A 65 3.222 -5.110 9.800 1.00 0.00 H new ATOM 0 HA ALA A 65 1.947 -5.911 7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.068 -8.068 7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.165 -6.689 8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.443 -7.516 9.527 1.00 0.00 H new ATOM 975 N GLY A 66 0.065 -7.476 7.925 1.00 0.00 N ATOM 976 CA GLY A 66 -1.167 -8.176 8.237 1.00 0.00 C ATOM 977 C GLY A 66 -2.399 -7.361 7.896 1.00 0.00 C ATOM 978 O GLY A 66 -3.450 -7.917 7.576 1.00 0.00 O ATOM 0 H GLY A 66 0.287 -7.422 6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.195 -9.118 7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.182 -8.424 9.298 1.00 0.00 H new ATOM 982 N ASP A 67 -2.271 -6.041 7.964 1.00 0.00 N ATOM 983 CA ASP A 67 -3.383 -5.148 7.660 1.00 0.00 C ATOM 984 C ASP A 67 -3.340 -4.704 6.201 1.00 0.00 C ATOM 985 O ASP A 67 -2.284 -4.716 5.569 1.00 0.00 O ATOM 986 CB ASP A 67 -3.349 -3.925 8.579 1.00 0.00 C ATOM 987 CG ASP A 67 -4.132 -4.141 9.859 1.00 0.00 C ATOM 988 OD1 ASP A 67 -5.362 -4.343 9.776 1.00 0.00 O ATOM 989 OD2 ASP A 67 -3.515 -4.109 10.944 1.00 0.00 O ATOM 0 H ASP A 67 -1.408 -5.565 8.227 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.311 -5.694 7.828 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.314 -3.688 8.825 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.756 -3.064 8.049 1.00 0.00 H new ATOM 994 N VAL A 68 -4.496 -4.315 5.673 1.00 0.00 N ATOM 995 CA VAL A 68 -4.591 -3.867 4.288 1.00 0.00 C ATOM 996 C VAL A 68 -4.697 -2.349 4.208 1.00 0.00 C ATOM 997 O VAL A 68 -5.677 -1.759 4.665 1.00 0.00 O ATOM 998 CB VAL A 68 -5.806 -4.494 3.578 1.00 0.00 C ATOM 999 CG1 VAL A 68 -5.921 -3.971 2.155 1.00 0.00 C ATOM 1000 CG2 VAL A 68 -5.705 -6.012 3.591 1.00 0.00 C ATOM 0 H VAL A 68 -5.379 -4.301 6.183 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.679 -4.191 3.787 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.709 -4.208 4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.785 -4.425 1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.043 -2.888 2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.018 -4.225 1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.571 -6.439 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.796 -6.321 3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.676 -6.366 4.622 1.00 0.00 H new ATOM 1010 N ILE A 69 -3.682 -1.721 3.623 1.00 0.00 N ATOM 1011 CA ILE A 69 -3.662 -0.270 3.481 1.00 0.00 C ATOM 1012 C ILE A 69 -3.709 0.139 2.012 1.00 0.00 C ATOM 1013 O ILE A 69 -3.110 -0.512 1.155 1.00 0.00 O ATOM 1014 CB ILE A 69 -2.408 0.342 4.133 1.00 0.00 C ATOM 1015 CG1 ILE A 69 -1.150 -0.093 3.378 1.00 0.00 C ATOM 1016 CG2 ILE A 69 -2.322 -0.063 5.597 1.00 0.00 C ATOM 1017 CD1 ILE A 69 -0.762 0.846 2.258 1.00 0.00 C ATOM 0 H ILE A 69 -2.863 -2.194 3.240 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.548 0.110 3.990 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.482 1.428 4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.321 -0.168 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.309 -1.090 2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.431 0.377 6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.207 0.292 6.125 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.267 -1.149 5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.138 0.475 1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.574 0.902 1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.570 1.839 2.665 1.00 0.00 H new ATOM 1029 N THR A 70 -4.424 1.224 1.728 1.00 0.00 N ATOM 1030 CA THR A 70 -4.549 1.721 0.364 1.00 0.00 C ATOM 1031 C THR A 70 -3.526 2.816 0.082 1.00 0.00 C ATOM 1032 O THR A 70 -2.902 3.346 1.001 1.00 0.00 O ATOM 1033 CB THR A 70 -5.962 2.272 0.094 1.00 0.00 C ATOM 1034 OG1 THR A 70 -6.364 3.134 1.164 1.00 0.00 O ATOM 1035 CG2 THR A 70 -6.965 1.138 -0.055 1.00 0.00 C ATOM 0 H THR A 70 -4.925 1.775 2.425 1.00 0.00 H new ATOM 0 HA THR A 70 -4.364 0.876 -0.299 1.00 0.00 H new ATOM 0 HB THR A 70 -5.936 2.838 -0.837 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.263 3.481 0.984 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.956 1.551 -0.245 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.672 0.500 -0.889 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.987 0.549 0.862 1.00 0.00 H new ATOM 1043 N ILE A 71 -3.360 3.150 -1.193 1.00 0.00 N ATOM 1044 CA ILE A 71 -2.414 4.184 -1.595 1.00 0.00 C ATOM 1045 C ILE A 71 -2.975 5.030 -2.732 1.00 0.00 C ATOM 1046 O ILE A 71 -3.099 4.564 -3.865 1.00 0.00 O ATOM 1047 CB ILE A 71 -1.070 3.576 -2.037 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -0.462 2.747 -0.904 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -0.111 4.673 -2.473 1.00 0.00 C ATOM 1050 CD1 ILE A 71 0.434 1.628 -1.386 1.00 0.00 C ATOM 0 H ILE A 71 -3.868 2.720 -1.966 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.248 4.816 -0.723 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.248 2.917 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.112 3.405 -0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.267 2.324 -0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.835 4.228 -2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.544 5.224 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.064 5.355 -1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.829 1.083 -0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.140 0.948 -2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.259 2.046 -1.962 1.00 0.00 H new ATOM 1062 N ASP A 72 -3.312 6.278 -2.423 1.00 0.00 N ATOM 1063 CA ASP A 72 -3.857 7.192 -3.420 1.00 0.00 C ATOM 1064 C ASP A 72 -2.740 7.935 -4.144 1.00 0.00 C ATOM 1065 O ASP A 72 -2.107 8.830 -3.582 1.00 0.00 O ATOM 1066 CB ASP A 72 -4.808 8.192 -2.760 1.00 0.00 C ATOM 1067 CG ASP A 72 -6.242 7.702 -2.741 1.00 0.00 C ATOM 1068 OD1 ASP A 72 -6.470 6.548 -2.322 1.00 0.00 O ATOM 1069 OD2 ASP A 72 -7.138 8.472 -3.147 1.00 0.00 O ATOM 0 H ASP A 72 -3.217 6.679 -1.490 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.411 6.604 -4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.479 8.382 -1.738 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.759 9.142 -3.293 1.00 0.00 H new ATOM 1074 N LYS A 73 -2.501 7.559 -5.396 1.00 0.00 N ATOM 1075 CA LYS A 73 -1.460 8.190 -6.199 1.00 0.00 C ATOM 1076 C LYS A 73 -1.792 9.653 -6.470 1.00 0.00 C ATOM 1077 O LYS A 73 -0.910 10.511 -6.470 1.00 0.00 O ATOM 1078 CB LYS A 73 -1.285 7.442 -7.523 1.00 0.00 C ATOM 1079 CG LYS A 73 -0.684 6.057 -7.365 1.00 0.00 C ATOM 1080 CD LYS A 73 -0.180 5.512 -8.691 1.00 0.00 C ATOM 1081 CE LYS A 73 1.268 5.907 -8.941 1.00 0.00 C ATOM 1082 NZ LYS A 73 1.684 5.626 -10.343 1.00 0.00 N ATOM 0 H LYS A 73 -3.014 6.820 -5.877 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.527 8.146 -5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.255 7.354 -8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.648 8.032 -8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.138 6.096 -6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.432 5.380 -6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.268 4.426 -8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.806 5.887 -9.501 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.397 6.968 -8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.917 5.364 -8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.676 5.909 -10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.585 4.609 -10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.082 6.164 -10.998 1.00 0.00 H new ATOM 1096 N ALA A 74 -3.072 9.932 -6.698 1.00 0.00 N ATOM 1097 CA ALA A 74 -3.521 11.292 -6.966 1.00 0.00 C ATOM 1098 C ALA A 74 -3.284 12.197 -5.761 1.00 0.00 C ATOM 1099 O ALA A 74 -2.779 13.312 -5.898 1.00 0.00 O ATOM 1100 CB ALA A 74 -4.994 11.296 -7.349 1.00 0.00 C ATOM 0 H ALA A 74 -3.816 9.234 -6.702 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.938 11.682 -7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.316 12.319 -7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.139 10.691 -8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.584 10.882 -6.531 1.00 0.00 H new ATOM 1106 N THR A 75 -3.652 11.710 -4.580 1.00 0.00 N ATOM 1107 CA THR A 75 -3.480 12.475 -3.352 1.00 0.00 C ATOM 1108 C THR A 75 -2.130 12.183 -2.706 1.00 0.00 C ATOM 1109 O THR A 75 -1.704 12.887 -1.792 1.00 0.00 O ATOM 1110 CB THR A 75 -4.598 12.167 -2.338 1.00 0.00 C ATOM 1111 OG1 THR A 75 -4.474 10.820 -1.865 1.00 0.00 O ATOM 1112 CG2 THR A 75 -5.969 12.364 -2.967 1.00 0.00 C ATOM 0 H THR A 75 -4.071 10.789 -4.448 1.00 0.00 H new ATOM 0 HA THR A 75 -3.528 13.529 -3.627 1.00 0.00 H new ATOM 0 HB THR A 75 -4.497 12.857 -1.500 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.187 10.633 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.742 12.141 -2.232 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.072 13.397 -3.299 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.077 11.696 -3.821 1.00 0.00 H new ATOM 1120 N GLY A 76 -1.461 11.141 -3.189 1.00 0.00 N ATOM 1121 CA GLY A 76 -0.165 10.776 -2.648 1.00 0.00 C ATOM 1122 C GLY A 76 -0.212 10.519 -1.155 1.00 0.00 C ATOM 1123 O GLY A 76 0.727 10.848 -0.430 1.00 0.00 O ATOM 0 H GLY A 76 -1.793 10.543 -3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.199 9.883 -3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.549 11.573 -2.854 1.00 0.00 H new ATOM 1127 N LYS A 77 -1.310 9.930 -0.692 1.00 0.00 N ATOM 1128 CA LYS A 77 -1.478 9.629 0.725 1.00 0.00 C ATOM 1129 C LYS A 77 -1.722 8.139 0.940 1.00 0.00 C ATOM 1130 O LYS A 77 -2.153 7.434 0.027 1.00 0.00 O ATOM 1131 CB LYS A 77 -2.642 10.437 1.305 1.00 0.00 C ATOM 1132 CG LYS A 77 -2.239 11.815 1.800 1.00 0.00 C ATOM 1133 CD LYS A 77 -1.408 11.731 3.068 1.00 0.00 C ATOM 1134 CE LYS A 77 -0.683 13.039 3.348 1.00 0.00 C ATOM 1135 NZ LYS A 77 -1.506 13.963 4.177 1.00 0.00 N ATOM 0 H LYS A 77 -2.097 9.652 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.559 9.906 1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.413 10.545 0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.085 9.879 2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.671 12.329 1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.132 12.411 1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.053 11.484 3.911 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.681 10.924 2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.257 12.831 3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.431 13.524 2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.977 14.842 4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.392 14.182 3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.725 13.511 5.088 1.00 0.00 H new ATOM 1149 N ILE A 78 -1.446 7.667 2.151 1.00 0.00 N ATOM 1150 CA ILE A 78 -1.639 6.262 2.485 1.00 0.00 C ATOM 1151 C ILE A 78 -2.668 6.097 3.598 1.00 0.00 C ATOM 1152 O ILE A 78 -2.524 6.668 4.679 1.00 0.00 O ATOM 1153 CB ILE A 78 -0.318 5.600 2.919 1.00 0.00 C ATOM 1154 CG1 ILE A 78 0.691 5.621 1.769 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -0.568 4.174 3.386 1.00 0.00 C ATOM 1156 CD1 ILE A 78 2.125 5.456 2.220 1.00 0.00 C ATOM 0 H ILE A 78 -1.088 8.237 2.917 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.003 5.770 1.583 1.00 0.00 H new ATOM 0 HB ILE A 78 0.098 6.166 3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.446 4.824 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.595 6.563 1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.375 3.720 3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.255 4.183 4.232 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.004 3.596 2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.784 5.481 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.388 6.267 2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.237 4.501 2.734 1.00 0.00 H new ATOM 1168 N SER A 79 -3.704 5.311 3.327 1.00 0.00 N ATOM 1169 CA SER A 79 -4.759 5.072 4.306 1.00 0.00 C ATOM 1170 C SER A 79 -4.761 3.615 4.758 1.00 0.00 C ATOM 1171 O SER A 79 -4.593 2.701 3.949 1.00 0.00 O ATOM 1172 CB SER A 79 -6.123 5.437 3.716 1.00 0.00 C ATOM 1173 OG SER A 79 -6.132 6.771 3.239 1.00 0.00 O ATOM 0 H SER A 79 -3.836 4.829 2.438 1.00 0.00 H new ATOM 0 HA SER A 79 -4.566 5.703 5.174 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.365 4.755 2.901 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.896 5.314 4.475 1.00 0.00 H new ATOM 0 HG SER A 79 -7.014 6.979 2.866 1.00 0.00 H new ATOM 1179 N LYS A 80 -4.952 3.405 6.056 1.00 0.00 N ATOM 1180 CA LYS A 80 -4.977 2.060 6.618 1.00 0.00 C ATOM 1181 C LYS A 80 -6.409 1.548 6.740 1.00 0.00 C ATOM 1182 O LYS A 80 -7.310 2.284 7.146 1.00 0.00 O ATOM 1183 CB LYS A 80 -4.301 2.046 7.990 1.00 0.00 C ATOM 1184 CG LYS A 80 -4.102 0.650 8.556 1.00 0.00 C ATOM 1185 CD LYS A 80 -4.115 0.658 10.076 1.00 0.00 C ATOM 1186 CE LYS A 80 -5.521 0.459 10.622 1.00 0.00 C ATOM 1187 NZ LYS A 80 -6.369 1.667 10.424 1.00 0.00 N ATOM 0 H LYS A 80 -5.092 4.150 6.739 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.430 1.401 5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.332 2.539 7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.902 2.630 8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.889 -0.009 8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.155 0.244 8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.463 -0.131 10.451 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.713 1.604 10.439 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.985 -0.395 10.128 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.468 0.223 11.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.193 1.621 11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.814 2.520 10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.693 1.705 9.437 1.00 0.00 H new ATOM 1201 N LEU A 81 -6.613 0.284 6.388 1.00 0.00 N ATOM 1202 CA LEU A 81 -7.935 -0.327 6.460 1.00 0.00 C ATOM 1203 C LEU A 81 -7.935 -1.517 7.415 1.00 0.00 C ATOM 1204 O LEU A 81 -6.903 -1.865 7.988 1.00 0.00 O ATOM 1205 CB LEU A 81 -8.388 -0.775 5.069 1.00 0.00 C ATOM 1206 CG LEU A 81 -7.945 0.108 3.902 1.00 0.00 C ATOM 1207 CD1 LEU A 81 -8.398 -0.489 2.579 1.00 0.00 C ATOM 1208 CD2 LEU A 81 -8.488 1.520 4.066 1.00 0.00 C ATOM 0 H LEU A 81 -5.879 -0.338 6.050 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.632 0.420 6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.017 -1.785 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.477 -0.830 5.064 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.856 0.157 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.074 0.153 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.960 -1.480 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.485 -0.569 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.163 2.135 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.577 1.490 4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.113 1.948 4.996 1.00 0.00 H new