USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 TYR OH : rot 18:sc= 0.537 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.39 K(o=-1.4,f=-6.4!) USER MOD Single : A 44 THR OG1 : rot -75:sc= -0.736 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 143:sc= 0.757 (180deg=0.15) USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= -0.0473 (180deg=-0.418) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N PRO A 10 -8.909 6.995 0.829 1.00 0.00 N ATOM 157 CA PRO A 10 -9.175 6.100 1.966 1.00 0.00 C ATOM 158 C PRO A 10 -7.949 5.865 2.853 1.00 0.00 C ATOM 159 O PRO A 10 -8.050 5.246 3.910 1.00 0.00 O ATOM 160 CB PRO A 10 -9.602 4.795 1.293 1.00 0.00 C ATOM 161 CG PRO A 10 -8.953 4.829 -0.049 1.00 0.00 C ATOM 162 CD PRO A 10 -8.921 6.273 -0.459 1.00 0.00 C ATOM 0 HA PRO A 10 -9.921 6.523 2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.276 3.928 1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.687 4.731 1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.946 4.414 -0.006 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.513 4.232 -0.768 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.038 6.502 -1.056 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.790 6.539 -1.061 1.00 0.00 H new ATOM 170 N VAL A 11 -6.797 6.355 2.418 1.00 0.00 N ATOM 171 CA VAL A 11 -5.562 6.212 3.183 1.00 0.00 C ATOM 172 C VAL A 11 -4.816 7.537 3.242 1.00 0.00 C ATOM 173 O VAL A 11 -4.628 8.197 2.223 1.00 0.00 O ATOM 174 CB VAL A 11 -4.632 5.126 2.588 1.00 0.00 C ATOM 175 CG1 VAL A 11 -5.222 3.740 2.791 1.00 0.00 C ATOM 176 CG2 VAL A 11 -4.367 5.375 1.109 1.00 0.00 C ATOM 0 H VAL A 11 -6.690 6.857 1.537 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.845 5.903 4.189 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.681 5.181 3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.552 2.993 2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.346 3.550 3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.192 3.681 2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.711 4.596 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.310 5.361 0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.890 6.347 0.983 1.00 0.00 H new ATOM 186 N GLU A 12 -4.409 7.940 4.432 1.00 0.00 N ATOM 187 CA GLU A 12 -3.693 9.192 4.598 1.00 0.00 C ATOM 188 C GLU A 12 -2.252 8.965 5.033 1.00 0.00 C ATOM 189 O GLU A 12 -1.832 7.840 5.311 1.00 0.00 O ATOM 190 CB GLU A 12 -4.400 10.094 5.604 1.00 0.00 C ATOM 191 CG GLU A 12 -5.759 10.575 5.135 1.00 0.00 C ATOM 192 CD GLU A 12 -6.337 11.613 6.064 1.00 0.00 C ATOM 193 OE1 GLU A 12 -6.747 11.248 7.184 1.00 0.00 O ATOM 194 OE2 GLU A 12 -6.353 12.805 5.692 1.00 0.00 O ATOM 0 H GLU A 12 -4.561 7.420 5.296 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.681 9.684 3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.519 9.554 6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.769 10.958 5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.670 10.994 4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.441 9.728 5.067 1.00 0.00 H new ATOM 201 N GLU A 13 -1.506 10.058 5.076 1.00 0.00 N ATOM 202 CA GLU A 13 -0.092 10.032 5.408 1.00 0.00 C ATOM 203 C GLU A 13 0.151 9.630 6.861 1.00 0.00 C ATOM 204 O GLU A 13 -0.421 10.212 7.785 1.00 0.00 O ATOM 205 CB GLU A 13 0.518 11.401 5.129 1.00 0.00 C ATOM 206 CG GLU A 13 0.264 11.884 3.713 1.00 0.00 C ATOM 207 CD GLU A 13 0.909 13.219 3.430 1.00 0.00 C ATOM 208 OE1 GLU A 13 2.110 13.234 3.106 1.00 0.00 O ATOM 209 OE2 GLU A 13 0.222 14.254 3.533 1.00 0.00 O ATOM 0 H GLU A 13 -1.867 10.992 4.881 1.00 0.00 H new ATOM 0 HA GLU A 13 0.387 9.278 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.109 12.126 5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.593 11.357 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.643 11.145 3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.810 11.961 3.547 1.00 0.00 H new ATOM 216 N GLY A 14 0.989 8.622 7.038 1.00 0.00 N ATOM 217 CA GLY A 14 1.422 8.203 8.353 1.00 0.00 C ATOM 218 C GLY A 14 0.546 7.122 8.945 1.00 0.00 C ATOM 219 O GLY A 14 0.621 6.850 10.142 1.00 0.00 O ATOM 0 H GLY A 14 1.385 8.075 6.274 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.448 7.840 8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.427 9.065 9.020 1.00 0.00 H new ATOM 223 N GLU A 15 -0.257 6.470 8.116 1.00 0.00 N ATOM 224 CA GLU A 15 -1.183 5.461 8.626 1.00 0.00 C ATOM 225 C GLU A 15 -0.626 4.059 8.438 1.00 0.00 C ATOM 226 O GLU A 15 0.252 3.837 7.613 1.00 0.00 O ATOM 227 CB GLU A 15 -2.549 5.552 7.956 1.00 0.00 C ATOM 228 CG GLU A 15 -3.263 6.873 8.166 1.00 0.00 C ATOM 229 CD GLU A 15 -4.750 6.761 7.911 1.00 0.00 C ATOM 230 OE1 GLU A 15 -5.177 6.888 6.746 1.00 0.00 O ATOM 231 OE2 GLU A 15 -5.501 6.532 8.881 1.00 0.00 O ATOM 0 H GLU A 15 -0.289 6.615 7.107 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.304 5.662 9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.427 5.385 6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.180 4.748 8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.095 7.217 9.186 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.837 7.625 7.502 1.00 0.00 H new ATOM 238 N VAL A 16 -1.160 3.113 9.198 1.00 0.00 N ATOM 239 CA VAL A 16 -0.715 1.724 9.139 1.00 0.00 C ATOM 240 C VAL A 16 -1.898 0.803 8.850 1.00 0.00 C ATOM 241 O VAL A 16 -2.901 0.826 9.568 1.00 0.00 O ATOM 242 CB VAL A 16 -0.036 1.286 10.460 1.00 0.00 C ATOM 243 CG1 VAL A 16 0.466 -0.148 10.366 1.00 0.00 C ATOM 244 CG2 VAL A 16 1.109 2.223 10.822 1.00 0.00 C ATOM 0 H VAL A 16 -1.909 3.283 9.869 1.00 0.00 H new ATOM 0 HA VAL A 16 0.017 1.649 8.335 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.786 1.337 11.250 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.939 -0.430 11.307 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.373 -0.815 10.167 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.192 -0.227 9.557 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.569 1.893 11.754 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.854 2.212 10.026 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.725 3.236 10.946 1.00 0.00 H new ATOM 254 N TYR A 17 -1.784 0.009 7.793 1.00 0.00 N ATOM 255 CA TYR A 17 -2.865 -0.880 7.379 1.00 0.00 C ATOM 256 C TYR A 17 -2.381 -2.313 7.192 1.00 0.00 C ATOM 257 O TYR A 17 -1.276 -2.545 6.694 1.00 0.00 O ATOM 258 CB TYR A 17 -3.479 -0.387 6.066 1.00 0.00 C ATOM 259 CG TYR A 17 -4.285 0.880 6.211 1.00 0.00 C ATOM 260 CD1 TYR A 17 -3.668 2.125 6.239 1.00 0.00 C ATOM 261 CD2 TYR A 17 -5.664 0.829 6.336 1.00 0.00 C ATOM 262 CE1 TYR A 17 -4.406 3.279 6.383 1.00 0.00 C ATOM 263 CE2 TYR A 17 -6.407 1.980 6.484 1.00 0.00 C ATOM 264 CZ TYR A 17 -5.775 3.203 6.507 1.00 0.00 C ATOM 265 OH TYR A 17 -6.518 4.348 6.674 1.00 0.00 O ATOM 0 H TYR A 17 -0.952 -0.038 7.205 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.613 -0.870 8.172 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.681 -0.219 5.343 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.119 -1.169 5.658 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.594 2.189 6.146 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.164 -0.128 6.317 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.913 4.240 6.399 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.481 1.923 6.582 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.987 5.125 6.402 1.00 0.00 H new ATOM 275 N ASP A 18 -3.215 -3.265 7.604 1.00 0.00 N ATOM 276 CA ASP A 18 -2.991 -4.678 7.297 1.00 0.00 C ATOM 277 C ASP A 18 -3.468 -4.954 5.884 1.00 0.00 C ATOM 278 O ASP A 18 -4.664 -5.150 5.657 1.00 0.00 O ATOM 279 CB ASP A 18 -3.744 -5.607 8.266 1.00 0.00 C ATOM 280 CG ASP A 18 -3.155 -5.643 9.661 1.00 0.00 C ATOM 281 OD1 ASP A 18 -3.477 -4.747 10.471 1.00 0.00 O ATOM 282 OD2 ASP A 18 -2.389 -6.584 9.964 1.00 0.00 O ATOM 0 H ASP A 18 -4.055 -3.084 8.153 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.925 -4.879 7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.784 -5.285 8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.747 -6.617 7.857 1.00 0.00 H new ATOM 287 N VAL A 19 -2.549 -4.948 4.932 1.00 0.00 N ATOM 288 CA VAL A 19 -2.917 -5.071 3.533 1.00 0.00 C ATOM 289 C VAL A 19 -2.500 -6.416 2.956 1.00 0.00 C ATOM 290 O VAL A 19 -1.516 -7.021 3.386 1.00 0.00 O ATOM 291 CB VAL A 19 -2.301 -3.943 2.676 1.00 0.00 C ATOM 292 CG1 VAL A 19 -2.812 -2.583 3.125 1.00 0.00 C ATOM 293 CG2 VAL A 19 -0.781 -3.991 2.730 1.00 0.00 C ATOM 0 H VAL A 19 -1.547 -4.860 5.102 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.003 -4.990 3.498 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.609 -4.098 1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.365 -1.804 2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.897 -2.550 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.541 -2.419 4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.370 -3.187 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.450 -3.869 3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.434 -4.951 2.348 1.00 0.00 H new ATOM 303 N THR A 20 -3.281 -6.886 2.000 1.00 0.00 N ATOM 304 CA THR A 20 -2.934 -8.066 1.242 1.00 0.00 C ATOM 305 C THR A 20 -2.590 -7.654 -0.182 1.00 0.00 C ATOM 306 O THR A 20 -3.412 -7.059 -0.880 1.00 0.00 O ATOM 307 CB THR A 20 -4.092 -9.081 1.240 1.00 0.00 C ATOM 308 OG1 THR A 20 -4.518 -9.320 2.589 1.00 0.00 O ATOM 309 CG2 THR A 20 -3.660 -10.389 0.603 1.00 0.00 C ATOM 0 H THR A 20 -4.168 -6.460 1.731 1.00 0.00 H new ATOM 0 HA THR A 20 -2.073 -8.547 1.706 1.00 0.00 H new ATOM 0 HB THR A 20 -4.917 -8.669 0.658 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.256 -9.965 2.590 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.494 -11.091 0.612 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.350 -10.208 -0.426 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.826 -10.809 1.165 1.00 0.00 H new ATOM 317 N ILE A 21 -1.363 -7.931 -0.590 1.00 0.00 N ATOM 318 CA ILE A 21 -0.883 -7.504 -1.890 1.00 0.00 C ATOM 319 C ILE A 21 -1.579 -8.276 -3.002 1.00 0.00 C ATOM 320 O ILE A 21 -1.449 -9.495 -3.102 1.00 0.00 O ATOM 321 CB ILE A 21 0.641 -7.682 -1.996 1.00 0.00 C ATOM 322 CG1 ILE A 21 1.334 -6.996 -0.815 1.00 0.00 C ATOM 323 CG2 ILE A 21 1.153 -7.124 -3.313 1.00 0.00 C ATOM 324 CD1 ILE A 21 1.074 -5.507 -0.731 1.00 0.00 C ATOM 0 H ILE A 21 -0.681 -8.451 -0.037 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.117 -6.445 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 21 0.871 -8.747 -1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.002 -7.466 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.408 -7.164 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.233 -7.259 -3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.677 -7.650 -4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.916 -6.062 -3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.598 -5.094 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.432 -5.023 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.004 -5.330 -0.623 1.00 0.00 H new ATOM 336 N GLN A 22 -2.322 -7.557 -3.828 1.00 0.00 N ATOM 337 CA GLN A 22 -3.132 -8.179 -4.859 1.00 0.00 C ATOM 338 C GLN A 22 -2.324 -8.390 -6.128 1.00 0.00 C ATOM 339 O GLN A 22 -2.289 -9.490 -6.674 1.00 0.00 O ATOM 340 CB GLN A 22 -4.361 -7.321 -5.161 1.00 0.00 C ATOM 341 CG GLN A 22 -5.228 -7.031 -3.944 1.00 0.00 C ATOM 342 CD GLN A 22 -5.876 -8.271 -3.354 1.00 0.00 C ATOM 343 OE1 GLN A 22 -5.333 -9.374 -3.412 1.00 0.00 O ATOM 344 NE2 GLN A 22 -7.056 -8.096 -2.785 1.00 0.00 N ATOM 0 H GLN A 22 -2.380 -6.539 -3.803 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.459 -9.151 -4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.034 -6.376 -5.595 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.967 -7.825 -5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.618 -6.550 -3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.007 -6.321 -4.223 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.475 -7.167 -2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.547 -8.890 -2.375 1.00 0.00 H new ATOM 353 N ASP A 23 -1.670 -7.335 -6.591 1.00 0.00 N ATOM 354 CA ASP A 23 -0.897 -7.397 -7.827 1.00 0.00 C ATOM 355 C ASP A 23 0.542 -6.972 -7.588 1.00 0.00 C ATOM 356 O ASP A 23 0.917 -6.632 -6.469 1.00 0.00 O ATOM 357 CB ASP A 23 -1.521 -6.514 -8.913 1.00 0.00 C ATOM 358 CG ASP A 23 -2.799 -7.093 -9.486 1.00 0.00 C ATOM 359 OD1 ASP A 23 -2.716 -8.028 -10.307 1.00 0.00 O ATOM 360 OD2 ASP A 23 -3.895 -6.605 -9.135 1.00 0.00 O ATOM 0 H ASP A 23 -1.658 -6.425 -6.131 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.909 -8.432 -8.168 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.730 -5.529 -8.496 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.800 -6.373 -9.718 1.00 0.00 H new ATOM 365 N ILE A 24 1.333 -6.976 -8.650 1.00 0.00 N ATOM 366 CA ILE A 24 2.733 -6.611 -8.587 1.00 0.00 C ATOM 367 C ILE A 24 3.047 -5.748 -9.792 1.00 0.00 C ATOM 368 O ILE A 24 2.583 -6.030 -10.896 1.00 0.00 O ATOM 369 CB ILE A 24 3.666 -7.853 -8.598 1.00 0.00 C ATOM 370 CG1 ILE A 24 3.461 -8.705 -7.345 1.00 0.00 C ATOM 371 CG2 ILE A 24 5.129 -7.442 -8.716 1.00 0.00 C ATOM 372 CD1 ILE A 24 3.811 -7.997 -6.053 1.00 0.00 C ATOM 0 H ILE A 24 1.016 -7.235 -9.584 1.00 0.00 H new ATOM 0 HA ILE A 24 2.909 -6.078 -7.652 1.00 0.00 H new ATOM 0 HB ILE A 24 3.403 -8.450 -9.471 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.420 -9.024 -7.302 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.067 -9.607 -7.429 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.758 -8.332 -8.721 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.278 -6.888 -9.643 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.399 -6.812 -7.869 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.638 -8.668 -5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.860 -7.702 -6.072 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.187 -7.110 -5.943 1.00 0.00 H new ATOM 384 N ALA A 25 3.807 -4.699 -9.583 1.00 0.00 N ATOM 385 CA ALA A 25 4.205 -3.838 -10.674 1.00 0.00 C ATOM 386 C ALA A 25 5.157 -4.587 -11.576 1.00 0.00 C ATOM 387 O ALA A 25 4.861 -4.880 -12.736 1.00 0.00 O ATOM 388 CB ALA A 25 4.885 -2.617 -10.115 1.00 0.00 C ATOM 0 H ALA A 25 4.163 -4.420 -8.668 1.00 0.00 H new ATOM 0 HA ALA A 25 3.330 -3.534 -11.248 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.188 -1.963 -10.933 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.195 -2.084 -9.460 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.765 -2.919 -9.547 1.00 0.00 H new ATOM 442 N ASP A 29 7.735 -4.320 -6.478 1.00 0.00 N ATOM 443 CA ASP A 29 6.765 -3.296 -6.095 1.00 0.00 C ATOM 444 C ASP A 29 5.371 -3.899 -6.070 1.00 0.00 C ATOM 445 O ASP A 29 4.807 -4.220 -7.117 1.00 0.00 O ATOM 446 CB ASP A 29 6.789 -2.100 -7.053 1.00 0.00 C ATOM 447 CG ASP A 29 8.189 -1.595 -7.339 1.00 0.00 C ATOM 448 OD1 ASP A 29 8.682 -0.731 -6.587 1.00 0.00 O ATOM 449 OD2 ASP A 29 8.805 -2.063 -8.319 1.00 0.00 O ATOM 0 HA ASP A 29 7.037 -2.935 -5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.313 -2.384 -7.991 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.197 -1.290 -6.628 1.00 0.00 H new ATOM 454 N GLY A 30 4.835 -4.076 -4.876 1.00 0.00 N ATOM 455 CA GLY A 30 3.519 -4.651 -4.732 1.00 0.00 C ATOM 456 C GLY A 30 2.424 -3.642 -4.974 1.00 0.00 C ATOM 457 O GLY A 30 2.565 -2.469 -4.624 1.00 0.00 O ATOM 0 H GLY A 30 5.292 -3.830 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.408 -5.479 -5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.413 -5.065 -3.729 1.00 0.00 H new ATOM 461 N ILE A 31 1.341 -4.098 -5.577 1.00 0.00 N ATOM 462 CA ILE A 31 0.210 -3.238 -5.863 1.00 0.00 C ATOM 463 C ILE A 31 -0.932 -3.536 -4.902 1.00 0.00 C ATOM 464 O ILE A 31 -1.629 -4.548 -5.033 1.00 0.00 O ATOM 465 CB ILE A 31 -0.285 -3.402 -7.317 1.00 0.00 C ATOM 466 CG1 ILE A 31 0.842 -3.080 -8.304 1.00 0.00 C ATOM 467 CG2 ILE A 31 -1.498 -2.516 -7.577 1.00 0.00 C ATOM 468 CD1 ILE A 31 1.396 -1.675 -8.171 1.00 0.00 C ATOM 0 H ILE A 31 1.222 -5.065 -5.879 1.00 0.00 H new ATOM 0 HA ILE A 31 0.544 -2.209 -5.734 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.586 -4.439 -7.463 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.653 -3.794 -8.159 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.472 -3.219 -9.320 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.830 -2.647 -8.607 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.304 -2.794 -6.898 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.228 -1.473 -7.413 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.189 -1.526 -8.904 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.599 -0.952 -8.346 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.798 -1.536 -7.168 1.00 0.00 H new ATOM 480 N ALA A 32 -1.092 -2.672 -3.916 1.00 0.00 N ATOM 481 CA ALA A 32 -2.207 -2.763 -2.996 1.00 0.00 C ATOM 482 C ALA A 32 -3.294 -1.797 -3.436 1.00 0.00 C ATOM 483 O ALA A 32 -3.000 -0.751 -4.011 1.00 0.00 O ATOM 484 CB ALA A 32 -1.752 -2.462 -1.574 1.00 0.00 C ATOM 0 H ALA A 32 -0.458 -1.894 -3.733 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.607 -3.777 -3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.603 -2.535 -0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.989 -3.181 -1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.339 -1.454 -1.530 1.00 0.00 H new ATOM 490 N ARG A 33 -4.544 -2.150 -3.202 1.00 0.00 N ATOM 491 CA ARG A 33 -5.645 -1.282 -3.582 1.00 0.00 C ATOM 492 C ARG A 33 -6.718 -1.255 -2.502 1.00 0.00 C ATOM 493 O ARG A 33 -7.422 -2.238 -2.276 1.00 0.00 O ATOM 494 CB ARG A 33 -6.248 -1.706 -4.927 1.00 0.00 C ATOM 495 CG ARG A 33 -6.591 -3.184 -5.020 1.00 0.00 C ATOM 496 CD ARG A 33 -7.346 -3.509 -6.298 1.00 0.00 C ATOM 497 NE ARG A 33 -6.645 -3.031 -7.488 1.00 0.00 N ATOM 498 CZ ARG A 33 -5.872 -3.795 -8.255 1.00 0.00 C ATOM 499 NH1 ARG A 33 -5.694 -5.077 -7.958 1.00 0.00 N ATOM 500 NH2 ARG A 33 -5.289 -3.280 -9.330 1.00 0.00 N ATOM 0 H ARG A 33 -4.822 -3.024 -2.755 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.245 -0.274 -3.693 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.151 -1.123 -5.107 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.545 -1.457 -5.722 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.675 -3.773 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.194 -3.472 -4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.488 -4.587 -6.370 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.338 -3.059 -6.257 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.755 -2.050 -7.746 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.151 -5.479 -7.139 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.101 -5.660 -8.549 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.434 -2.299 -9.568 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.696 -3.865 -9.918 1.00 0.00 H new ATOM 514 N ILE A 34 -6.822 -0.126 -1.823 1.00 0.00 N ATOM 515 CA ILE A 34 -7.888 0.081 -0.860 1.00 0.00 C ATOM 516 C ILE A 34 -8.959 0.949 -1.485 1.00 0.00 C ATOM 517 O ILE A 34 -8.684 2.078 -1.898 1.00 0.00 O ATOM 518 CB ILE A 34 -7.386 0.729 0.444 1.00 0.00 C ATOM 519 CG1 ILE A 34 -6.486 -0.256 1.198 1.00 0.00 C ATOM 520 CG2 ILE A 34 -8.564 1.167 1.307 1.00 0.00 C ATOM 521 CD1 ILE A 34 -6.003 0.251 2.539 1.00 0.00 C ATOM 0 H ILE A 34 -6.181 0.661 -1.921 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.293 -0.896 -0.596 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.801 1.617 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.031 -1.188 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.621 -0.490 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.193 1.623 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.166 1.892 0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.176 0.300 1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.373 -0.504 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.428 1.166 2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.860 0.457 3.180 1.00 0.00 H new ATOM 533 N GLU A 35 -10.157 0.384 -1.597 1.00 0.00 N ATOM 534 CA GLU A 35 -11.294 1.040 -2.244 1.00 0.00 C ATOM 535 C GLU A 35 -11.044 1.187 -3.751 1.00 0.00 C ATOM 536 O GLU A 35 -11.909 1.634 -4.503 1.00 0.00 O ATOM 537 CB GLU A 35 -11.559 2.407 -1.607 1.00 0.00 C ATOM 538 CG GLU A 35 -12.898 3.006 -1.987 1.00 0.00 C ATOM 539 CD GLU A 35 -12.998 4.476 -1.651 1.00 0.00 C ATOM 540 OE1 GLU A 35 -13.024 4.817 -0.453 1.00 0.00 O ATOM 541 OE2 GLU A 35 -13.043 5.296 -2.590 1.00 0.00 O ATOM 0 H GLU A 35 -10.370 -0.547 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.177 0.418 -2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.509 2.309 -0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.766 3.095 -1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.061 2.870 -3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.692 2.465 -1.472 1.00 0.00 H new ATOM 548 N GLY A 36 -9.862 0.773 -4.187 1.00 0.00 N ATOM 549 CA GLY A 36 -9.478 0.923 -5.571 1.00 0.00 C ATOM 550 C GLY A 36 -8.265 1.814 -5.735 1.00 0.00 C ATOM 551 O GLY A 36 -7.639 1.835 -6.799 1.00 0.00 O ATOM 0 H GLY A 36 -9.157 0.331 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.266 -0.058 -5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.312 1.341 -6.134 1.00 0.00 H new ATOM 555 N PHE A 37 -7.924 2.546 -4.682 1.00 0.00 N ATOM 556 CA PHE A 37 -6.783 3.448 -4.718 1.00 0.00 C ATOM 557 C PHE A 37 -5.489 2.646 -4.641 1.00 0.00 C ATOM 558 O PHE A 37 -5.319 1.811 -3.749 1.00 0.00 O ATOM 559 CB PHE A 37 -6.863 4.451 -3.566 1.00 0.00 C ATOM 560 CG PHE A 37 -5.945 5.628 -3.729 1.00 0.00 C ATOM 561 CD1 PHE A 37 -6.244 6.629 -4.640 1.00 0.00 C ATOM 562 CD2 PHE A 37 -4.790 5.741 -2.972 1.00 0.00 C ATOM 563 CE1 PHE A 37 -5.409 7.718 -4.793 1.00 0.00 C ATOM 564 CE2 PHE A 37 -3.952 6.829 -3.123 1.00 0.00 C ATOM 565 CZ PHE A 37 -4.261 7.819 -4.035 1.00 0.00 C ATOM 0 H PHE A 37 -8.423 2.532 -3.792 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.797 4.003 -5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.888 4.810 -3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.623 3.940 -2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.141 6.556 -5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.542 4.971 -2.257 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.655 8.491 -5.506 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.054 6.905 -2.527 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.606 8.669 -4.154 1.00 0.00 H new ATOM 575 N VAL A 38 -4.590 2.898 -5.585 1.00 0.00 N ATOM 576 CA VAL A 38 -3.366 2.115 -5.717 1.00 0.00 C ATOM 577 C VAL A 38 -2.293 2.573 -4.731 1.00 0.00 C ATOM 578 O VAL A 38 -1.999 3.765 -4.617 1.00 0.00 O ATOM 579 CB VAL A 38 -2.801 2.191 -7.155 1.00 0.00 C ATOM 580 CG1 VAL A 38 -1.571 1.309 -7.303 1.00 0.00 C ATOM 581 CG2 VAL A 38 -3.866 1.799 -8.172 1.00 0.00 C ATOM 0 H VAL A 38 -4.686 3.643 -6.275 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.633 1.083 -5.491 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.504 3.222 -7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.193 1.380 -8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.800 1.639 -6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.837 0.274 -7.086 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.449 1.859 -9.177 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.198 0.779 -7.977 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.715 2.478 -8.090 1.00 0.00 H new ATOM 591 N ILE A 39 -1.721 1.612 -4.023 1.00 0.00 N ATOM 592 CA ILE A 39 -0.633 1.865 -3.098 1.00 0.00 C ATOM 593 C ILE A 39 0.571 1.011 -3.479 1.00 0.00 C ATOM 594 O ILE A 39 0.451 -0.210 -3.610 1.00 0.00 O ATOM 595 CB ILE A 39 -1.042 1.544 -1.641 1.00 0.00 C ATOM 596 CG1 ILE A 39 -2.347 2.260 -1.275 1.00 0.00 C ATOM 597 CG2 ILE A 39 0.071 1.938 -0.680 1.00 0.00 C ATOM 598 CD1 ILE A 39 -2.867 1.903 0.100 1.00 0.00 C ATOM 0 H ILE A 39 -2.001 0.632 -4.075 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.380 2.924 -3.159 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.208 0.470 -1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.188 3.337 -1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.107 2.015 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.231 1.706 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.977 1.383 -0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.265 3.007 -0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.792 2.446 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.059 0.831 0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.125 2.174 0.851 1.00 0.00 H new ATOM 610 N PHE A 40 1.717 1.649 -3.677 1.00 0.00 N ATOM 611 CA PHE A 40 2.939 0.940 -4.042 1.00 0.00 C ATOM 612 C PHE A 40 3.710 0.518 -2.799 1.00 0.00 C ATOM 613 O PHE A 40 3.892 1.314 -1.870 1.00 0.00 O ATOM 614 CB PHE A 40 3.827 1.813 -4.936 1.00 0.00 C ATOM 615 CG PHE A 40 3.339 1.921 -6.354 1.00 0.00 C ATOM 616 CD1 PHE A 40 2.255 2.722 -6.676 1.00 0.00 C ATOM 617 CD2 PHE A 40 3.969 1.217 -7.367 1.00 0.00 C ATOM 618 CE1 PHE A 40 1.810 2.822 -7.980 1.00 0.00 C ATOM 619 CE2 PHE A 40 3.530 1.312 -8.674 1.00 0.00 C ATOM 620 CZ PHE A 40 2.448 2.116 -8.980 1.00 0.00 C ATOM 0 H PHE A 40 1.827 2.659 -3.591 1.00 0.00 H new ATOM 0 HA PHE A 40 2.654 0.046 -4.597 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.889 2.813 -4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.837 1.404 -4.939 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.751 3.275 -5.897 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.814 0.586 -7.133 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.965 3.451 -8.217 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.031 0.759 -9.455 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.102 2.192 -10.000 1.00 0.00 H new ATOM 630 N VAL A 41 4.154 -0.735 -2.782 1.00 0.00 N ATOM 631 CA VAL A 41 4.888 -1.274 -1.646 1.00 0.00 C ATOM 632 C VAL A 41 6.145 -1.997 -2.124 1.00 0.00 C ATOM 633 O VAL A 41 6.072 -3.107 -2.650 1.00 0.00 O ATOM 634 CB VAL A 41 4.033 -2.259 -0.815 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.785 -2.699 0.433 1.00 0.00 C ATOM 636 CG2 VAL A 41 2.693 -1.640 -0.442 1.00 0.00 C ATOM 0 H VAL A 41 4.017 -1.397 -3.546 1.00 0.00 H new ATOM 0 HA VAL A 41 5.155 -0.429 -1.011 1.00 0.00 H new ATOM 0 HB VAL A 41 3.839 -3.138 -1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.167 -3.392 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.712 -3.194 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.015 -1.827 1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.112 -2.354 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.860 -0.739 0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.146 -1.383 -1.349 1.00 0.00 H new ATOM 646 N PRO A 42 7.314 -1.371 -1.959 1.00 0.00 N ATOM 647 CA PRO A 42 8.589 -1.935 -2.405 1.00 0.00 C ATOM 648 C PRO A 42 9.020 -3.151 -1.584 1.00 0.00 C ATOM 649 O PRO A 42 9.470 -3.014 -0.444 1.00 0.00 O ATOM 650 CB PRO A 42 9.592 -0.787 -2.211 1.00 0.00 C ATOM 651 CG PRO A 42 8.773 0.430 -1.932 1.00 0.00 C ATOM 652 CD PRO A 42 7.489 -0.059 -1.328 1.00 0.00 C ATOM 0 HA PRO A 42 8.522 -2.293 -3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.272 -0.998 -1.386 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.205 -0.649 -3.102 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.294 1.101 -1.249 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.584 0.990 -2.848 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.556 -0.137 -0.243 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.657 0.610 -1.548 1.00 0.00 H new ATOM 660 N GLY A 43 8.866 -4.338 -2.160 1.00 0.00 N ATOM 661 CA GLY A 43 9.340 -5.542 -1.506 1.00 0.00 C ATOM 662 C GLY A 43 8.216 -6.441 -1.036 1.00 0.00 C ATOM 663 O GLY A 43 8.215 -6.897 0.106 1.00 0.00 O ATOM 0 H GLY A 43 8.422 -4.487 -3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.977 -6.096 -2.195 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.958 -5.266 -0.652 1.00 0.00 H new ATOM 667 N THR A 44 7.257 -6.698 -1.910 1.00 0.00 N ATOM 668 CA THR A 44 6.145 -7.573 -1.581 1.00 0.00 C ATOM 669 C THR A 44 5.810 -8.503 -2.742 1.00 0.00 C ATOM 670 O THR A 44 6.335 -8.343 -3.845 1.00 0.00 O ATOM 671 CB THR A 44 4.894 -6.770 -1.189 1.00 0.00 C ATOM 672 OG1 THR A 44 4.760 -5.616 -2.029 1.00 0.00 O ATOM 673 CG2 THR A 44 4.948 -6.350 0.270 1.00 0.00 C ATOM 0 H THR A 44 7.227 -6.312 -2.854 1.00 0.00 H new ATOM 0 HA THR A 44 6.457 -8.173 -0.726 1.00 0.00 H new ATOM 0 HB THR A 44 4.025 -7.413 -1.326 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.417 -4.940 -1.763 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.051 -5.784 0.519 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.005 -7.236 0.902 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.827 -5.728 0.437 1.00 0.00 H new ATOM 681 N LYS A 45 4.934 -9.472 -2.490 1.00 0.00 N ATOM 682 CA LYS A 45 4.577 -10.464 -3.493 1.00 0.00 C ATOM 683 C LYS A 45 3.058 -10.628 -3.552 1.00 0.00 C ATOM 684 O LYS A 45 2.348 -10.157 -2.665 1.00 0.00 O ATOM 685 CB LYS A 45 5.233 -11.804 -3.152 1.00 0.00 C ATOM 686 CG LYS A 45 5.621 -12.631 -4.369 1.00 0.00 C ATOM 687 CD LYS A 45 7.034 -12.310 -4.846 1.00 0.00 C ATOM 688 CE LYS A 45 7.146 -10.908 -5.429 1.00 0.00 C ATOM 689 NZ LYS A 45 8.559 -10.449 -5.483 1.00 0.00 N ATOM 0 H LYS A 45 4.458 -9.589 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 45 4.933 -10.128 -4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.124 -11.618 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.549 -12.385 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.552 -13.691 -4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.913 -12.443 -5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.728 -12.410 -4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.335 -13.039 -5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.720 -10.895 -6.432 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.560 -10.215 -4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.598 -9.491 -5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.957 -10.438 -4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.112 -11.097 -6.079 1.00 0.00 H new ATOM 703 N VAL A 46 2.564 -11.291 -4.593 1.00 0.00 N ATOM 704 CA VAL A 46 1.130 -11.531 -4.730 1.00 0.00 C ATOM 705 C VAL A 46 0.641 -12.450 -3.614 1.00 0.00 C ATOM 706 O VAL A 46 1.066 -13.602 -3.518 1.00 0.00 O ATOM 707 CB VAL A 46 0.776 -12.164 -6.093 1.00 0.00 C ATOM 708 CG1 VAL A 46 -0.731 -12.312 -6.247 1.00 0.00 C ATOM 709 CG2 VAL A 46 1.352 -11.345 -7.236 1.00 0.00 C ATOM 0 H VAL A 46 3.131 -11.670 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 46 0.636 -10.562 -4.664 1.00 0.00 H new ATOM 0 HB VAL A 46 1.222 -13.158 -6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.956 -12.760 -7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.117 -12.951 -5.453 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.201 -11.331 -6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.089 -11.811 -8.186 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.943 -10.335 -7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.437 -11.301 -7.141 1.00 0.00 H new ATOM 719 N GLY A 47 -0.237 -11.930 -2.771 1.00 0.00 N ATOM 720 CA GLY A 47 -0.765 -12.711 -1.671 1.00 0.00 C ATOM 721 C GLY A 47 -0.009 -12.474 -0.379 1.00 0.00 C ATOM 722 O GLY A 47 -0.311 -13.087 0.647 1.00 0.00 O ATOM 0 H GLY A 47 -0.595 -10.977 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.816 -12.463 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.720 -13.770 -1.926 1.00 0.00 H new ATOM 726 N ASP A 48 0.976 -11.584 -0.427 1.00 0.00 N ATOM 727 CA ASP A 48 1.768 -11.267 0.753 1.00 0.00 C ATOM 728 C ASP A 48 0.950 -10.389 1.690 1.00 0.00 C ATOM 729 O ASP A 48 0.450 -9.334 1.288 1.00 0.00 O ATOM 730 CB ASP A 48 3.067 -10.554 0.359 1.00 0.00 C ATOM 731 CG ASP A 48 4.199 -10.794 1.342 1.00 0.00 C ATOM 732 OD1 ASP A 48 4.047 -10.471 2.533 1.00 0.00 O ATOM 733 OD2 ASP A 48 5.254 -11.322 0.915 1.00 0.00 O ATOM 0 H ASP A 48 1.244 -11.072 -1.267 1.00 0.00 H new ATOM 0 HA ASP A 48 2.031 -12.194 1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.375 -10.893 -0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.879 -9.483 0.285 1.00 0.00 H new ATOM 738 N GLU A 49 0.789 -10.837 2.923 1.00 0.00 N ATOM 739 CA GLU A 49 0.019 -10.098 3.908 1.00 0.00 C ATOM 740 C GLU A 49 0.947 -9.388 4.882 1.00 0.00 C ATOM 741 O GLU A 49 1.591 -10.025 5.718 1.00 0.00 O ATOM 742 CB GLU A 49 -0.918 -11.035 4.666 1.00 0.00 C ATOM 743 CG GLU A 49 -1.977 -11.680 3.790 1.00 0.00 C ATOM 744 CD GLU A 49 -2.860 -12.632 4.564 1.00 0.00 C ATOM 745 OE1 GLU A 49 -3.789 -12.165 5.255 1.00 0.00 O ATOM 746 OE2 GLU A 49 -2.634 -13.856 4.483 1.00 0.00 O ATOM 0 H GLU A 49 1.183 -11.713 3.267 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.580 -9.352 3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.327 -11.818 5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.409 -10.477 5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.593 -10.903 3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.493 -12.218 2.975 1.00 0.00 H new ATOM 753 N VAL A 50 1.014 -8.072 4.769 1.00 0.00 N ATOM 754 CA VAL A 50 1.906 -7.276 5.600 1.00 0.00 C ATOM 755 C VAL A 50 1.225 -6.004 6.084 1.00 0.00 C ATOM 756 O VAL A 50 0.206 -5.580 5.533 1.00 0.00 O ATOM 757 CB VAL A 50 3.195 -6.881 4.845 1.00 0.00 C ATOM 758 CG1 VAL A 50 4.088 -8.090 4.620 1.00 0.00 C ATOM 759 CG2 VAL A 50 2.868 -6.204 3.522 1.00 0.00 C ATOM 0 H VAL A 50 0.459 -7.529 4.107 1.00 0.00 H new ATOM 0 HA VAL A 50 2.166 -7.903 6.453 1.00 0.00 H new ATOM 0 HB VAL A 50 3.737 -6.169 5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.988 -7.783 4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.365 -8.521 5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.552 -8.833 4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.793 -5.937 3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.293 -6.887 2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.283 -5.303 3.709 1.00 0.00 H new ATOM 769 N ARG A 51 1.786 -5.413 7.123 1.00 0.00 N ATOM 770 CA ARG A 51 1.346 -4.115 7.587 1.00 0.00 C ATOM 771 C ARG A 51 2.242 -3.043 6.998 1.00 0.00 C ATOM 772 O ARG A 51 3.466 -3.091 7.139 1.00 0.00 O ATOM 773 CB ARG A 51 1.360 -4.039 9.112 1.00 0.00 C ATOM 774 CG ARG A 51 0.352 -4.964 9.757 1.00 0.00 C ATOM 775 CD ARG A 51 0.344 -4.829 11.270 1.00 0.00 C ATOM 776 NE ARG A 51 -0.661 -5.695 11.880 1.00 0.00 N ATOM 777 CZ ARG A 51 -0.961 -5.699 13.177 1.00 0.00 C ATOM 778 NH1 ARG A 51 -0.374 -4.846 14.005 1.00 0.00 N ATOM 779 NH2 ARG A 51 -1.858 -6.557 13.642 1.00 0.00 N ATOM 0 H ARG A 51 2.552 -5.816 7.663 1.00 0.00 H new ATOM 0 HA ARG A 51 0.319 -3.956 7.258 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.358 -4.288 9.474 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.155 -3.014 9.422 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.642 -4.745 9.368 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.580 -5.995 9.486 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.329 -5.080 11.664 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.146 -3.792 11.543 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.167 -6.339 11.272 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.313 -4.181 13.649 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.609 -4.855 14.998 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.315 -7.211 13.007 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.091 -6.563 14.635 1.00 0.00 H new ATOM 793 N ILE A 52 1.637 -2.100 6.309 1.00 0.00 N ATOM 794 CA ILE A 52 2.387 -1.037 5.669 1.00 0.00 C ATOM 795 C ILE A 52 2.006 0.311 6.251 1.00 0.00 C ATOM 796 O ILE A 52 0.846 0.545 6.602 1.00 0.00 O ATOM 797 CB ILE A 52 2.159 -1.008 4.139 1.00 0.00 C ATOM 798 CG1 ILE A 52 0.675 -0.795 3.819 1.00 0.00 C ATOM 799 CG2 ILE A 52 2.671 -2.293 3.504 1.00 0.00 C ATOM 800 CD1 ILE A 52 0.389 -0.589 2.345 1.00 0.00 C ATOM 0 H ILE A 52 0.627 -2.046 6.177 1.00 0.00 H new ATOM 0 HA ILE A 52 3.442 -1.238 5.858 1.00 0.00 H new ATOM 0 HB ILE A 52 2.718 -0.172 3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.110 -1.658 4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.314 0.071 4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.504 -2.259 2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.738 -2.397 3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.138 -3.145 3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.682 -0.445 2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.925 0.291 1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.717 -1.464 1.785 1.00 0.00 H new ATOM 812 N LYS A 53 2.986 1.185 6.373 1.00 0.00 N ATOM 813 CA LYS A 53 2.725 2.550 6.774 1.00 0.00 C ATOM 814 C LYS A 53 2.691 3.430 5.538 1.00 0.00 C ATOM 815 O LYS A 53 3.716 3.641 4.892 1.00 0.00 O ATOM 816 CB LYS A 53 3.790 3.067 7.748 1.00 0.00 C ATOM 817 CG LYS A 53 3.481 4.456 8.304 1.00 0.00 C ATOM 818 CD LYS A 53 4.681 5.055 9.022 1.00 0.00 C ATOM 819 CE LYS A 53 4.364 6.413 9.630 1.00 0.00 C ATOM 820 NZ LYS A 53 3.431 6.311 10.785 1.00 0.00 N ATOM 0 H LYS A 53 3.969 0.973 6.200 1.00 0.00 H new ATOM 0 HA LYS A 53 1.764 2.580 7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.885 2.365 8.576 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.754 3.093 7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.178 5.115 7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.639 4.393 8.993 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.010 4.374 9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.509 5.157 8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.290 6.888 9.954 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.926 7.057 8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.698 7.008 11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.460 6.499 10.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.483 5.354 11.190 1.00 0.00 H new ATOM 834 N VAL A 54 1.510 3.912 5.189 1.00 0.00 N ATOM 835 CA VAL A 54 1.372 4.833 4.076 1.00 0.00 C ATOM 836 C VAL A 54 2.011 6.145 4.464 1.00 0.00 C ATOM 837 O VAL A 54 1.487 6.861 5.310 1.00 0.00 O ATOM 838 CB VAL A 54 -0.105 5.064 3.692 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.224 6.068 2.557 1.00 0.00 C ATOM 840 CG2 VAL A 54 -0.757 3.752 3.303 1.00 0.00 C ATOM 0 H VAL A 54 0.635 3.681 5.660 1.00 0.00 H new ATOM 0 HA VAL A 54 1.865 4.402 3.205 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.621 5.472 4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.275 6.212 2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.209 7.019 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.309 5.694 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.798 3.929 3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.230 3.323 2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.712 3.060 4.144 1.00 0.00 H new ATOM 850 N GLU A 55 3.164 6.428 3.874 1.00 0.00 N ATOM 851 CA GLU A 55 3.968 7.570 4.268 1.00 0.00 C ATOM 852 C GLU A 55 3.570 8.815 3.495 1.00 0.00 C ATOM 853 O GLU A 55 3.487 9.907 4.057 1.00 0.00 O ATOM 854 CB GLU A 55 5.449 7.275 4.035 1.00 0.00 C ATOM 855 CG GLU A 55 5.951 6.034 4.752 1.00 0.00 C ATOM 856 CD GLU A 55 7.449 5.859 4.623 1.00 0.00 C ATOM 857 OE1 GLU A 55 7.908 5.375 3.570 1.00 0.00 O ATOM 858 OE2 GLU A 55 8.174 6.207 5.580 1.00 0.00 O ATOM 0 H GLU A 55 3.564 5.876 3.115 1.00 0.00 H new ATOM 0 HA GLU A 55 3.794 7.752 5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.622 7.159 2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.036 8.133 4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.685 6.095 5.807 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.449 5.155 4.347 1.00 0.00 H new ATOM 865 N ARG A 56 3.311 8.644 2.208 1.00 0.00 N ATOM 866 CA ARG A 56 3.022 9.772 1.334 1.00 0.00 C ATOM 867 C ARG A 56 1.906 9.436 0.364 1.00 0.00 C ATOM 868 O ARG A 56 1.934 8.400 -0.300 1.00 0.00 O ATOM 869 CB ARG A 56 4.271 10.181 0.544 1.00 0.00 C ATOM 870 CG ARG A 56 5.187 11.161 1.262 1.00 0.00 C ATOM 871 CD ARG A 56 4.506 12.503 1.483 1.00 0.00 C ATOM 872 NE ARG A 56 5.467 13.571 1.770 1.00 0.00 N ATOM 873 CZ ARG A 56 5.138 14.783 2.227 1.00 0.00 C ATOM 874 NH1 ARG A 56 3.894 15.051 2.603 1.00 0.00 N ATOM 875 NH2 ARG A 56 6.072 15.722 2.344 1.00 0.00 N ATOM 0 H ARG A 56 3.295 7.735 1.745 1.00 0.00 H new ATOM 0 HA ARG A 56 2.707 10.603 1.965 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.841 9.284 0.302 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.957 10.624 -0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.488 10.742 2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.096 11.305 0.678 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.928 12.765 0.597 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.801 12.419 2.310 1.00 0.00 H new ATOM 0 HE ARG A 56 6.455 13.376 1.610 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.177 14.328 2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.655 15.980 2.950 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.037 15.517 2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.824 16.648 2.693 1.00 0.00 H new ATOM 889 N VAL A 57 0.918 10.306 0.294 1.00 0.00 N ATOM 890 CA VAL A 57 -0.121 10.182 -0.705 1.00 0.00 C ATOM 891 C VAL A 57 0.207 11.085 -1.887 1.00 0.00 C ATOM 892 O VAL A 57 0.333 12.298 -1.742 1.00 0.00 O ATOM 893 CB VAL A 57 -1.522 10.508 -0.136 1.00 0.00 C ATOM 894 CG1 VAL A 57 -1.956 9.432 0.851 1.00 0.00 C ATOM 895 CG2 VAL A 57 -1.551 11.879 0.534 1.00 0.00 C ATOM 0 H VAL A 57 0.814 11.106 0.918 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.154 9.144 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.221 10.530 -0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.944 9.675 1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.994 8.468 0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.242 9.382 1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.551 12.073 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.834 11.898 1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.289 12.646 -0.195 1.00 0.00 H new ATOM 905 N LEU A 58 0.395 10.482 -3.044 1.00 0.00 N ATOM 906 CA LEU A 58 0.763 11.228 -4.234 1.00 0.00 C ATOM 907 C LEU A 58 -0.463 11.429 -5.122 1.00 0.00 C ATOM 908 O LEU A 58 -1.465 10.731 -4.961 1.00 0.00 O ATOM 909 CB LEU A 58 1.886 10.499 -4.988 1.00 0.00 C ATOM 910 CG LEU A 58 3.175 10.295 -4.185 1.00 0.00 C ATOM 911 CD1 LEU A 58 4.234 9.614 -5.033 1.00 0.00 C ATOM 912 CD2 LEU A 58 3.694 11.621 -3.649 1.00 0.00 C ATOM 0 H LEU A 58 0.299 9.477 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 58 1.136 12.210 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.516 9.525 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.123 11.062 -5.891 1.00 0.00 H new ATOM 0 HG LEU A 58 2.946 9.650 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.141 9.479 -4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.867 8.642 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.456 10.232 -5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.610 11.451 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.902 12.294 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.943 12.070 -2.999 1.00 0.00 H new ATOM 924 N PRO A 59 -0.398 12.394 -6.061 1.00 0.00 N ATOM 925 CA PRO A 59 -1.529 12.767 -6.923 1.00 0.00 C ATOM 926 C PRO A 59 -2.310 11.582 -7.502 1.00 0.00 C ATOM 927 O PRO A 59 -3.538 11.630 -7.590 1.00 0.00 O ATOM 928 CB PRO A 59 -0.856 13.553 -8.045 1.00 0.00 C ATOM 929 CG PRO A 59 0.319 14.193 -7.395 1.00 0.00 C ATOM 930 CD PRO A 59 0.794 13.226 -6.343 1.00 0.00 C ATOM 0 HA PRO A 59 -2.281 13.317 -6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.551 12.898 -8.861 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.530 14.297 -8.469 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.105 14.394 -8.123 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.045 15.149 -6.950 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.627 12.622 -6.702 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.139 13.746 -5.449 1.00 0.00 H new ATOM 938 N LYS A 60 -1.615 10.516 -7.883 1.00 0.00 N ATOM 939 CA LYS A 60 -2.274 9.420 -8.583 1.00 0.00 C ATOM 940 C LYS A 60 -2.160 8.087 -7.833 1.00 0.00 C ATOM 941 O LYS A 60 -2.734 7.085 -8.262 1.00 0.00 O ATOM 942 CB LYS A 60 -1.690 9.277 -9.991 1.00 0.00 C ATOM 943 CG LYS A 60 -2.639 8.611 -10.971 1.00 0.00 C ATOM 944 CD LYS A 60 -3.830 9.506 -11.276 1.00 0.00 C ATOM 945 CE LYS A 60 -4.948 8.739 -11.961 1.00 0.00 C ATOM 946 NZ LYS A 60 -5.538 7.710 -11.065 1.00 0.00 N ATOM 0 H LYS A 60 -0.616 10.388 -7.723 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.334 9.666 -8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.424 10.264 -10.368 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.769 8.697 -9.937 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.109 8.379 -11.895 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.988 7.665 -10.558 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.203 9.944 -10.350 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.511 10.331 -11.913 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.725 9.434 -12.278 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.562 8.260 -12.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.482 7.448 -11.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.927 6.868 -11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.618 8.093 -10.101 1.00 0.00 H new ATOM 960 N PHE A 61 -1.437 8.069 -6.718 1.00 0.00 N ATOM 961 CA PHE A 61 -1.232 6.827 -5.967 1.00 0.00 C ATOM 962 C PHE A 61 -0.570 7.107 -4.623 1.00 0.00 C ATOM 963 O PHE A 61 -0.079 8.201 -4.387 1.00 0.00 O ATOM 964 CB PHE A 61 -0.382 5.828 -6.770 1.00 0.00 C ATOM 965 CG PHE A 61 1.003 6.317 -7.106 1.00 0.00 C ATOM 966 CD1 PHE A 61 2.064 6.086 -6.245 1.00 0.00 C ATOM 967 CD2 PHE A 61 1.241 6.996 -8.290 1.00 0.00 C ATOM 968 CE1 PHE A 61 3.336 6.523 -6.560 1.00 0.00 C ATOM 969 CE2 PHE A 61 2.511 7.436 -8.608 1.00 0.00 C ATOM 970 CZ PHE A 61 3.560 7.200 -7.742 1.00 0.00 C ATOM 0 H PHE A 61 -0.985 8.890 -6.314 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.213 6.385 -5.790 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.299 4.902 -6.202 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.904 5.588 -7.696 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.895 5.559 -5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.425 7.183 -8.972 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.155 6.335 -5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.683 7.965 -9.534 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.553 7.544 -7.989 1.00 0.00 H new ATOM 980 N ALA A 62 -0.555 6.113 -3.747 1.00 0.00 N ATOM 981 CA ALA A 62 0.064 6.265 -2.441 1.00 0.00 C ATOM 982 C ALA A 62 1.357 5.471 -2.354 1.00 0.00 C ATOM 983 O ALA A 62 1.495 4.414 -2.969 1.00 0.00 O ATOM 984 CB ALA A 62 -0.889 5.831 -1.340 1.00 0.00 C ATOM 0 H ALA A 62 -0.964 5.194 -3.918 1.00 0.00 H new ATOM 0 HA ALA A 62 0.298 7.321 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.405 5.953 -0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.790 6.444 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.157 4.784 -1.482 1.00 0.00 H new ATOM 990 N PHE A 63 2.302 5.995 -1.592 1.00 0.00 N ATOM 991 CA PHE A 63 3.561 5.313 -1.343 1.00 0.00 C ATOM 992 C PHE A 63 3.629 4.907 0.124 1.00 0.00 C ATOM 993 O PHE A 63 3.438 5.743 1.015 1.00 0.00 O ATOM 994 CB PHE A 63 4.742 6.221 -1.704 1.00 0.00 C ATOM 995 CG PHE A 63 6.085 5.574 -1.507 1.00 0.00 C ATOM 996 CD1 PHE A 63 6.601 4.713 -2.462 1.00 0.00 C ATOM 997 CD2 PHE A 63 6.831 5.826 -0.366 1.00 0.00 C ATOM 998 CE1 PHE A 63 7.834 4.116 -2.284 1.00 0.00 C ATOM 999 CE2 PHE A 63 8.064 5.230 -0.182 1.00 0.00 C ATOM 1000 CZ PHE A 63 8.567 4.375 -1.143 1.00 0.00 C ATOM 0 H PHE A 63 2.219 6.901 -1.130 1.00 0.00 H new ATOM 0 HA PHE A 63 3.618 4.421 -1.967 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.647 6.529 -2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.692 7.125 -1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.032 4.506 -3.357 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.444 6.496 0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.224 3.447 -3.037 1.00 0.00 H new ATOM 0 HE2 PHE A 63 8.634 5.433 0.713 1.00 0.00 H new ATOM 0 HZ PHE A 63 9.532 3.910 -1.002 1.00 0.00 H new ATOM 1010 N ALA A 64 3.883 3.635 0.376 1.00 0.00 N ATOM 1011 CA ALA A 64 3.892 3.127 1.735 1.00 0.00 C ATOM 1012 C ALA A 64 5.150 2.323 2.020 1.00 0.00 C ATOM 1013 O ALA A 64 5.785 1.792 1.110 1.00 0.00 O ATOM 1014 CB ALA A 64 2.660 2.273 1.977 1.00 0.00 C ATOM 0 H ALA A 64 4.085 2.938 -0.340 1.00 0.00 H new ATOM 0 HA ALA A 64 3.880 3.980 2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.674 1.895 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.764 2.875 1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.656 1.435 1.281 1.00 0.00 H new ATOM 1020 N SER A 65 5.498 2.239 3.290 1.00 0.00 N ATOM 1021 CA SER A 65 6.657 1.483 3.715 1.00 0.00 C ATOM 1022 C SER A 65 6.210 0.184 4.377 1.00 0.00 C ATOM 1023 O SER A 65 5.339 0.190 5.250 1.00 0.00 O ATOM 1024 CB SER A 65 7.489 2.318 4.685 1.00 0.00 C ATOM 1025 OG SER A 65 8.802 1.801 4.817 1.00 0.00 O ATOM 0 H SER A 65 4.988 2.690 4.050 1.00 0.00 H new ATOM 0 HA SER A 65 7.271 1.240 2.847 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.536 3.349 4.333 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.004 2.336 5.661 1.00 0.00 H new ATOM 0 HG SER A 65 9.311 2.357 5.443 1.00 0.00 H new ATOM 1031 N VAL A 66 6.794 -0.928 3.954 1.00 0.00 N ATOM 1032 CA VAL A 66 6.417 -2.232 4.474 1.00 0.00 C ATOM 1033 C VAL A 66 7.074 -2.494 5.831 1.00 0.00 C ATOM 1034 O VAL A 66 8.296 -2.425 5.971 1.00 0.00 O ATOM 1035 CB VAL A 66 6.772 -3.361 3.471 1.00 0.00 C ATOM 1036 CG1 VAL A 66 8.246 -3.325 3.092 1.00 0.00 C ATOM 1037 CG2 VAL A 66 6.391 -4.723 4.027 1.00 0.00 C ATOM 0 H VAL A 66 7.532 -0.952 3.251 1.00 0.00 H new ATOM 0 HA VAL A 66 5.336 -2.230 4.612 1.00 0.00 H new ATOM 0 HB VAL A 66 6.192 -3.189 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.460 -4.129 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.479 -2.366 2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.855 -3.454 3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.650 -5.497 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.930 -4.900 4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.318 -4.751 4.219 1.00 0.00 H new ATOM 1047 N VAL A 67 6.251 -2.764 6.836 1.00 0.00 N ATOM 1048 CA VAL A 67 6.755 -3.056 8.172 1.00 0.00 C ATOM 1049 C VAL A 67 6.638 -4.548 8.448 1.00 0.00 C ATOM 1050 O VAL A 67 7.035 -5.044 9.503 1.00 0.00 O ATOM 1051 CB VAL A 67 5.988 -2.257 9.256 1.00 0.00 C ATOM 1052 CG1 VAL A 67 6.720 -2.295 10.591 1.00 0.00 C ATOM 1053 CG2 VAL A 67 5.760 -0.820 8.811 1.00 0.00 C ATOM 0 H VAL A 67 5.235 -2.787 6.752 1.00 0.00 H new ATOM 0 HA VAL A 67 7.802 -2.754 8.213 1.00 0.00 H new ATOM 0 HB VAL A 67 5.017 -2.732 9.392 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.157 -1.726 11.331 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.816 -3.328 10.924 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.712 -1.858 10.475 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.220 -0.280 9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.721 -0.337 8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.175 -0.812 7.891 1.00 0.00 H new ATOM 1063 N GLU A 68 6.130 -5.247 7.448 1.00 0.00 N ATOM 1064 CA GLU A 68 5.836 -6.676 7.534 1.00 0.00 C ATOM 1065 C GLU A 68 4.860 -6.961 8.670 1.00 0.00 C ATOM 1066 O GLU A 68 3.641 -6.818 8.449 1.00 0.00 O ATOM 1067 CB GLU A 68 7.118 -7.496 7.714 1.00 0.00 C ATOM 1068 CG GLU A 68 8.057 -7.439 6.520 1.00 0.00 C ATOM 1069 CD GLU A 68 9.344 -8.195 6.765 1.00 0.00 C ATOM 1070 OE1 GLU A 68 10.248 -7.633 7.417 1.00 0.00 O ATOM 1071 OE2 GLU A 68 9.457 -9.354 6.312 1.00 0.00 O ATOM 1072 OXT GLU A 68 5.309 -7.329 9.775 1.00 0.00 O ATOM 0 H GLU A 68 5.906 -4.838 6.541 1.00 0.00 H new ATOM 0 HA GLU A 68 5.371 -6.975 6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.646 -7.137 8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.850 -8.535 7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.555 -7.854 5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.287 -6.398 6.291 1.00 0.00 H new