USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 416 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 28 THR OG1 : rot 180:sc= -2.15! USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.747 USER MOD Single : A 10 SER OG : rot 30:sc= 0.162 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -120:sc= -1.47 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.0552) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 34 SER OG : rot -56:sc= 0.791 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.705 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 28:sc= 0.364! USER MOD Single : A 70 SER OG : rot 180:sc= -0.0466 USER MOD Single : A 73 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0828) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 161 N SER A 10 64.399 4.143 7.944 1.00 15.00 N ATOM 162 CA SER A 10 63.613 2.886 8.156 1.00 15.00 C ATOM 163 C SER A 10 63.792 1.940 6.964 1.00 15.00 C ATOM 164 O SER A 10 64.108 2.364 5.869 1.00 15.00 O ATOM 165 CB SER A 10 62.157 3.338 8.268 1.00 15.00 C ATOM 166 OG SER A 10 62.022 4.220 9.375 1.00 15.00 O ATOM 0 HA SER A 10 63.939 2.343 9.043 1.00 15.00 H new ATOM 0 HB2 SER A 10 61.848 3.838 7.350 1.00 15.00 H new ATOM 0 HB3 SER A 10 61.505 2.474 8.395 1.00 15.00 H new ATOM 0 HG SER A 10 62.865 4.700 9.516 1.00 15.00 H new ATOM 172 N LYS A 11 63.589 0.661 7.175 1.00 15.00 N ATOM 173 CA LYS A 11 63.761 -0.330 6.064 1.00 15.00 C ATOM 174 C LYS A 11 62.469 -0.450 5.248 1.00 15.00 C ATOM 175 O LYS A 11 61.386 -0.573 5.794 1.00 15.00 O ATOM 176 CB LYS A 11 64.082 -1.658 6.755 1.00 15.00 C ATOM 177 CG LYS A 11 64.570 -2.669 5.717 1.00 15.00 C ATOM 178 CD LYS A 11 64.568 -4.071 6.330 1.00 15.00 C ATOM 179 CE LYS A 11 65.718 -4.193 7.333 1.00 15.00 C ATOM 180 NZ LYS A 11 65.305 -5.284 8.259 1.00 15.00 N ATOM 0 H LYS A 11 63.311 0.260 8.071 1.00 15.00 H new ATOM 0 HA LYS A 11 64.547 -0.031 5.370 1.00 15.00 H new ATOM 0 HB2 LYS A 11 64.845 -1.508 7.518 1.00 15.00 H new ATOM 0 HB3 LYS A 11 63.196 -2.040 7.261 1.00 15.00 H new ATOM 0 HG2 LYS A 11 63.926 -2.644 4.838 1.00 15.00 H new ATOM 0 HG3 LYS A 11 65.574 -2.408 5.383 1.00 15.00 H new ATOM 0 HD2 LYS A 11 63.617 -4.260 6.827 1.00 15.00 H new ATOM 0 HD3 LYS A 11 64.674 -4.822 5.547 1.00 15.00 H new ATOM 0 HE2 LYS A 11 66.655 -4.434 6.832 1.00 15.00 H new ATOM 0 HE3 LYS A 11 65.875 -3.257 7.870 1.00 15.00 H new ATOM 0 HZ1 LYS A 11 66.043 -5.428 8.977 1.00 15.00 H new ATOM 0 HZ2 LYS A 11 64.413 -5.024 8.727 1.00 15.00 H new ATOM 0 HZ3 LYS A 11 65.170 -6.164 7.721 1.00 15.00 H new ATOM 194 N ILE A 12 62.580 -0.415 3.941 1.00 15.00 N ATOM 195 CA ILE A 12 61.365 -0.496 3.072 1.00 15.00 C ATOM 196 C ILE A 12 61.606 -1.499 1.937 1.00 15.00 C ATOM 197 O ILE A 12 62.732 -1.744 1.540 1.00 15.00 O ATOM 198 CB ILE A 12 61.158 0.923 2.514 1.00 15.00 C ATOM 199 CG1 ILE A 12 60.932 1.909 3.671 1.00 15.00 C ATOM 200 CG2 ILE A 12 59.931 0.944 1.593 1.00 15.00 C ATOM 201 CD1 ILE A 12 60.921 3.344 3.136 1.00 15.00 C ATOM 0 H ILE A 12 63.464 -0.333 3.438 1.00 15.00 H new ATOM 0 HA ILE A 12 60.487 -0.835 3.621 1.00 15.00 H new ATOM 0 HB ILE A 12 62.045 1.214 1.951 1.00 15.00 H new ATOM 0 HG12 ILE A 12 59.987 1.690 4.168 1.00 15.00 H new ATOM 0 HG13 ILE A 12 61.719 1.795 4.417 1.00 15.00 H new ATOM 0 HG21 ILE A 12 59.788 1.951 1.200 1.00 15.00 H new ATOM 0 HG22 ILE A 12 60.085 0.250 0.766 1.00 15.00 H new ATOM 0 HG23 ILE A 12 59.047 0.646 2.157 1.00 15.00 H new ATOM 0 HD11 ILE A 12 60.760 4.039 3.961 1.00 15.00 H new ATOM 0 HD12 ILE A 12 61.877 3.562 2.659 1.00 15.00 H new ATOM 0 HD13 ILE A 12 60.118 3.454 2.407 1.00 15.00 H new ATOM 213 N SER A 13 60.549 -2.075 1.420 1.00 15.00 N ATOM 214 CA SER A 13 60.677 -3.014 0.268 1.00 15.00 C ATOM 215 C SER A 13 59.961 -2.436 -0.956 1.00 15.00 C ATOM 216 O SER A 13 58.837 -1.980 -0.868 1.00 15.00 O ATOM 217 CB SER A 13 59.997 -4.303 0.726 1.00 15.00 C ATOM 218 OG SER A 13 59.998 -5.239 -0.344 1.00 15.00 O ATOM 0 H SER A 13 59.595 -1.932 1.752 1.00 15.00 H new ATOM 0 HA SER A 13 61.716 -3.184 -0.016 1.00 15.00 H new ATOM 0 HB2 SER A 13 60.520 -4.718 1.588 1.00 15.00 H new ATOM 0 HB3 SER A 13 58.975 -4.096 1.043 1.00 15.00 H new ATOM 0 HG SER A 13 59.075 -5.479 -0.570 1.00 15.00 H new ATOM 224 N LEU A 14 60.612 -2.455 -2.091 1.00 15.00 N ATOM 225 CA LEU A 14 60.013 -1.872 -3.329 1.00 15.00 C ATOM 226 C LEU A 14 59.805 -2.972 -4.375 1.00 15.00 C ATOM 227 O LEU A 14 60.704 -3.739 -4.662 1.00 15.00 O ATOM 228 CB LEU A 14 61.054 -0.860 -3.818 1.00 15.00 C ATOM 229 CG LEU A 14 60.498 -0.065 -5.007 1.00 15.00 C ATOM 230 CD1 LEU A 14 59.779 1.186 -4.497 1.00 15.00 C ATOM 231 CD2 LEU A 14 61.648 0.353 -5.927 1.00 15.00 C ATOM 0 H LEU A 14 61.543 -2.854 -2.214 1.00 15.00 H new ATOM 0 HA LEU A 14 59.041 -1.412 -3.151 1.00 15.00 H new ATOM 0 HB2 LEU A 14 61.320 -0.180 -3.009 1.00 15.00 H new ATOM 0 HB3 LEU A 14 61.967 -1.378 -4.112 1.00 15.00 H new ATOM 0 HG LEU A 14 59.796 -0.689 -5.560 1.00 15.00 H new ATOM 0 HD11 LEU A 14 59.385 1.749 -5.343 1.00 15.00 H new ATOM 0 HD12 LEU A 14 58.958 0.893 -3.842 1.00 15.00 H new ATOM 0 HD13 LEU A 14 60.481 1.808 -3.942 1.00 15.00 H new ATOM 0 HD21 LEU A 14 61.252 0.918 -6.771 1.00 15.00 H new ATOM 0 HD22 LEU A 14 62.350 0.975 -5.372 1.00 15.00 H new ATOM 0 HD23 LEU A 14 62.162 -0.536 -6.294 1.00 15.00 H new ATOM 243 N ILE A 15 58.628 -3.052 -4.941 1.00 15.00 N ATOM 244 CA ILE A 15 58.376 -4.042 -6.035 1.00 15.00 C ATOM 245 C ILE A 15 58.301 -3.297 -7.371 1.00 15.00 C ATOM 246 O ILE A 15 57.447 -2.448 -7.564 1.00 15.00 O ATOM 247 CB ILE A 15 57.028 -4.700 -5.690 1.00 15.00 C ATOM 248 CG1 ILE A 15 57.127 -5.403 -4.329 1.00 15.00 C ATOM 249 CG2 ILE A 15 56.665 -5.736 -6.760 1.00 15.00 C ATOM 250 CD1 ILE A 15 55.726 -5.776 -3.842 1.00 15.00 C ATOM 0 H ILE A 15 57.826 -2.472 -4.692 1.00 15.00 H new ATOM 0 HA ILE A 15 59.163 -4.791 -6.121 1.00 15.00 H new ATOM 0 HB ILE A 15 56.259 -3.928 -5.651 1.00 15.00 H new ATOM 0 HG12 ILE A 15 57.744 -6.298 -4.414 1.00 15.00 H new ATOM 0 HG13 ILE A 15 57.613 -4.749 -3.605 1.00 15.00 H new ATOM 0 HG21 ILE A 15 55.710 -6.198 -6.510 1.00 15.00 H new ATOM 0 HG22 ILE A 15 56.588 -5.245 -7.730 1.00 15.00 H new ATOM 0 HG23 ILE A 15 57.439 -6.502 -6.802 1.00 15.00 H new ATOM 0 HD11 ILE A 15 55.798 -6.275 -2.876 1.00 15.00 H new ATOM 0 HD12 ILE A 15 55.124 -4.873 -3.740 1.00 15.00 H new ATOM 0 HD13 ILE A 15 55.257 -6.446 -4.562 1.00 15.00 H new ATOM 262 N SER A 16 59.185 -3.614 -8.287 1.00 15.00 N ATOM 263 CA SER A 16 59.312 -2.798 -9.536 1.00 15.00 C ATOM 264 C SER A 16 58.441 -3.373 -10.658 1.00 15.00 C ATOM 265 O SER A 16 57.895 -4.454 -10.544 1.00 15.00 O ATOM 266 CB SER A 16 60.792 -2.877 -9.913 1.00 15.00 C ATOM 267 OG SER A 16 61.517 -1.901 -9.175 1.00 15.00 O ATOM 0 H SER A 16 59.826 -4.405 -8.223 1.00 15.00 H new ATOM 0 HA SER A 16 58.980 -1.771 -9.383 1.00 15.00 H new ATOM 0 HB2 SER A 16 61.181 -3.873 -9.701 1.00 15.00 H new ATOM 0 HB3 SER A 16 60.916 -2.708 -10.983 1.00 15.00 H new ATOM 0 HG SER A 16 62.466 -1.950 -9.413 1.00 15.00 H new ATOM 273 N LYS A 17 58.316 -2.650 -11.748 1.00 15.00 N ATOM 274 CA LYS A 17 57.449 -3.116 -12.885 1.00 15.00 C ATOM 275 C LYS A 17 57.939 -4.460 -13.451 1.00 15.00 C ATOM 276 O LYS A 17 57.203 -5.152 -14.129 1.00 15.00 O ATOM 277 CB LYS A 17 57.556 -2.023 -13.951 1.00 15.00 C ATOM 278 CG LYS A 17 56.502 -2.258 -15.034 1.00 15.00 C ATOM 279 CD LYS A 17 56.648 -1.201 -16.129 1.00 15.00 C ATOM 280 CE LYS A 17 55.487 -1.324 -17.119 1.00 15.00 C ATOM 281 NZ LYS A 17 55.862 -2.455 -18.012 1.00 15.00 N ATOM 0 H LYS A 17 58.778 -1.754 -11.901 1.00 15.00 H new ATOM 0 HA LYS A 17 56.422 -3.276 -12.557 1.00 15.00 H new ATOM 0 HB2 LYS A 17 57.413 -1.043 -13.497 1.00 15.00 H new ATOM 0 HB3 LYS A 17 58.553 -2.027 -14.392 1.00 15.00 H new ATOM 0 HG2 LYS A 17 56.619 -3.255 -15.459 1.00 15.00 H new ATOM 0 HG3 LYS A 17 55.503 -2.211 -14.600 1.00 15.00 H new ATOM 0 HD2 LYS A 17 56.659 -0.204 -15.688 1.00 15.00 H new ATOM 0 HD3 LYS A 17 57.598 -1.330 -16.649 1.00 15.00 H new ATOM 0 HE2 LYS A 17 54.548 -1.523 -16.603 1.00 15.00 H new ATOM 0 HE3 LYS A 17 55.351 -0.402 -17.685 1.00 15.00 H new ATOM 0 HZ1 LYS A 17 56.037 -2.096 -18.972 1.00 15.00 H new ATOM 0 HZ2 LYS A 17 56.724 -2.912 -17.651 1.00 15.00 H new ATOM 0 HZ3 LYS A 17 55.088 -3.149 -18.038 1.00 15.00 H new ATOM 295 N ALA A 18 59.172 -4.833 -13.183 1.00 15.00 N ATOM 296 CA ALA A 18 59.705 -6.125 -13.723 1.00 15.00 C ATOM 297 C ALA A 18 59.433 -7.289 -12.754 1.00 15.00 C ATOM 298 O ALA A 18 60.032 -8.340 -12.870 1.00 15.00 O ATOM 299 CB ALA A 18 61.211 -5.901 -13.871 1.00 15.00 C ATOM 0 H ALA A 18 59.829 -4.298 -12.615 1.00 15.00 H new ATOM 0 HA ALA A 18 59.228 -6.391 -14.666 1.00 15.00 H new ATOM 0 HB1 ALA A 18 61.677 -6.805 -14.263 1.00 15.00 H new ATOM 0 HB2 ALA A 18 61.390 -5.074 -14.558 1.00 15.00 H new ATOM 0 HB3 ALA A 18 61.641 -5.664 -12.898 1.00 15.00 H new ATOM 305 N GLU A 19 58.536 -7.111 -11.801 1.00 15.00 N ATOM 306 CA GLU A 19 58.172 -8.217 -10.847 1.00 15.00 C ATOM 307 C GLU A 19 59.410 -8.713 -10.089 1.00 15.00 C ATOM 308 O GLU A 19 59.482 -9.861 -9.688 1.00 15.00 O ATOM 309 CB GLU A 19 57.566 -9.342 -11.700 1.00 15.00 C ATOM 310 CG GLU A 19 56.283 -8.844 -12.372 1.00 15.00 C ATOM 311 CD GLU A 19 55.621 -9.995 -13.132 1.00 15.00 C ATOM 312 OE1 GLU A 19 56.335 -10.732 -13.794 1.00 15.00 O ATOM 313 OE2 GLU A 19 54.411 -10.120 -13.040 1.00 15.00 O ATOM 0 H GLU A 19 58.036 -6.236 -11.644 1.00 15.00 H new ATOM 0 HA GLU A 19 57.464 -7.870 -10.095 1.00 15.00 H new ATOM 0 HB2 GLU A 19 58.282 -9.665 -12.455 1.00 15.00 H new ATOM 0 HB3 GLU A 19 57.349 -10.209 -11.076 1.00 15.00 H new ATOM 0 HG2 GLU A 19 55.598 -8.448 -11.622 1.00 15.00 H new ATOM 0 HG3 GLU A 19 56.512 -8.027 -13.057 1.00 15.00 H new ATOM 320 N ILE A 20 60.382 -7.853 -9.893 1.00 15.00 N ATOM 321 CA ILE A 20 61.545 -8.206 -9.024 1.00 15.00 C ATOM 322 C ILE A 20 61.410 -7.474 -7.682 1.00 15.00 C ATOM 323 O ILE A 20 60.876 -6.381 -7.618 1.00 15.00 O ATOM 324 CB ILE A 20 62.793 -7.730 -9.786 1.00 15.00 C ATOM 325 CG1 ILE A 20 62.887 -8.459 -11.132 1.00 15.00 C ATOM 326 CG2 ILE A 20 64.050 -8.036 -8.964 1.00 15.00 C ATOM 327 CD1 ILE A 20 63.943 -7.783 -12.010 1.00 15.00 C ATOM 0 H ILE A 20 60.418 -6.919 -10.300 1.00 15.00 H new ATOM 0 HA ILE A 20 61.602 -9.274 -8.812 1.00 15.00 H new ATOM 0 HB ILE A 20 62.717 -6.656 -9.954 1.00 15.00 H new ATOM 0 HG12 ILE A 20 63.148 -9.505 -10.973 1.00 15.00 H new ATOM 0 HG13 ILE A 20 61.919 -8.444 -11.633 1.00 15.00 H new ATOM 0 HG21 ILE A 20 64.932 -7.697 -9.508 1.00 15.00 H new ATOM 0 HG22 ILE A 20 63.993 -7.519 -8.006 1.00 15.00 H new ATOM 0 HG23 ILE A 20 64.120 -9.110 -8.793 1.00 15.00 H new ATOM 0 HD11 ILE A 20 64.008 -8.303 -12.966 1.00 15.00 H new ATOM 0 HD12 ILE A 20 63.663 -6.743 -12.180 1.00 15.00 H new ATOM 0 HD13 ILE A 20 64.911 -7.821 -11.510 1.00 15.00 H new ATOM 339 N ARG A 21 61.891 -8.071 -6.619 1.00 15.00 N ATOM 340 CA ARG A 21 61.734 -7.453 -5.267 1.00 15.00 C ATOM 341 C ARG A 21 63.077 -6.905 -4.770 1.00 15.00 C ATOM 342 O ARG A 21 64.033 -7.641 -4.604 1.00 15.00 O ATOM 343 CB ARG A 21 61.256 -8.595 -4.369 1.00 15.00 C ATOM 344 CG ARG A 21 60.688 -8.026 -3.067 1.00 15.00 C ATOM 345 CD ARG A 21 60.091 -9.163 -2.233 1.00 15.00 C ATOM 346 NE ARG A 21 59.472 -8.495 -1.046 1.00 15.00 N ATOM 347 CZ ARG A 21 60.204 -8.057 -0.039 1.00 15.00 C ATOM 348 NH1 ARG A 21 61.514 -8.159 -0.043 1.00 15.00 N ATOM 349 NH2 ARG A 21 59.612 -7.502 0.982 1.00 15.00 N ATOM 0 H ARG A 21 62.387 -8.962 -6.630 1.00 15.00 H new ATOM 0 HA ARG A 21 61.037 -6.615 -5.274 1.00 15.00 H new ATOM 0 HB2 ARG A 21 60.494 -9.181 -4.884 1.00 15.00 H new ATOM 0 HB3 ARG A 21 62.084 -9.270 -4.151 1.00 15.00 H new ATOM 0 HG2 ARG A 21 61.474 -7.521 -2.505 1.00 15.00 H new ATOM 0 HG3 ARG A 21 59.923 -7.281 -3.286 1.00 15.00 H new ATOM 0 HD2 ARG A 21 59.348 -9.721 -2.803 1.00 15.00 H new ATOM 0 HD3 ARG A 21 60.859 -9.874 -1.929 1.00 15.00 H new ATOM 0 HE ARG A 21 58.460 -8.375 -1.014 1.00 15.00 H new ATOM 0 HH11 ARG A 21 61.990 -8.585 -0.838 1.00 15.00 H new ATOM 0 HH12 ARG A 21 62.055 -7.812 0.749 1.00 15.00 H new ATOM 0 HH21 ARG A 21 58.596 -7.411 0.995 1.00 15.00 H new ATOM 0 HH22 ARG A 21 60.165 -7.159 1.767 1.00 15.00 H new ATOM 363 N TYR A 22 63.148 -5.617 -4.535 1.00 15.00 N ATOM 364 CA TYR A 22 64.399 -5.008 -3.990 1.00 15.00 C ATOM 365 C TYR A 22 64.169 -4.548 -2.549 1.00 15.00 C ATOM 366 O TYR A 22 63.144 -3.976 -2.236 1.00 15.00 O ATOM 367 CB TYR A 22 64.676 -3.797 -4.882 1.00 15.00 C ATOM 368 CG TYR A 22 65.087 -4.150 -6.292 1.00 15.00 C ATOM 369 CD1 TYR A 22 66.458 -4.311 -6.610 1.00 15.00 C ATOM 370 CD2 TYR A 22 64.103 -4.312 -7.298 1.00 15.00 C ATOM 371 CE1 TYR A 22 66.843 -4.632 -7.934 1.00 15.00 C ATOM 372 CE2 TYR A 22 64.488 -4.633 -8.621 1.00 15.00 C ATOM 373 CZ TYR A 22 65.859 -4.793 -8.940 1.00 15.00 C ATOM 374 OH TYR A 22 66.235 -5.106 -10.230 1.00 15.00 O ATOM 0 H TYR A 22 62.387 -4.958 -4.699 1.00 15.00 H new ATOM 0 HA TYR A 22 65.230 -5.714 -3.984 1.00 15.00 H new ATOM 0 HB2 TYR A 22 63.781 -3.176 -4.921 1.00 15.00 H new ATOM 0 HB3 TYR A 22 65.462 -3.196 -4.426 1.00 15.00 H new ATOM 0 HD1 TYR A 22 67.209 -4.189 -5.843 1.00 15.00 H new ATOM 0 HD2 TYR A 22 63.058 -4.190 -7.055 1.00 15.00 H new ATOM 0 HE1 TYR A 22 67.888 -4.754 -8.177 1.00 15.00 H new ATOM 0 HE2 TYR A 22 63.737 -4.756 -9.387 1.00 15.00 H new ATOM 0 HH TYR A 22 65.437 -5.181 -10.794 1.00 15.00 H new ATOM 384 N GLU A 23 65.111 -4.791 -1.672 1.00 15.00 N ATOM 385 CA GLU A 23 64.997 -4.263 -0.277 1.00 15.00 C ATOM 386 C GLU A 23 66.168 -3.328 0.022 1.00 15.00 C ATOM 387 O GLU A 23 67.288 -3.584 -0.375 1.00 15.00 O ATOM 388 CB GLU A 23 65.053 -5.501 0.622 1.00 15.00 C ATOM 389 CG GLU A 23 64.650 -5.117 2.050 1.00 15.00 C ATOM 390 CD GLU A 23 65.874 -4.591 2.804 1.00 15.00 C ATOM 391 OE1 GLU A 23 65.796 -3.489 3.321 1.00 15.00 O ATOM 392 OE2 GLU A 23 66.866 -5.298 2.852 1.00 15.00 O ATOM 0 H GLU A 23 65.954 -5.332 -1.862 1.00 15.00 H new ATOM 0 HA GLU A 23 64.082 -3.691 -0.121 1.00 15.00 H new ATOM 0 HB2 GLU A 23 64.384 -6.272 0.239 1.00 15.00 H new ATOM 0 HB3 GLU A 23 66.059 -5.921 0.618 1.00 15.00 H new ATOM 0 HG2 GLU A 23 63.870 -4.356 2.027 1.00 15.00 H new ATOM 0 HG3 GLU A 23 64.236 -5.982 2.567 1.00 15.00 H new ATOM 399 N GLY A 24 65.913 -2.249 0.722 1.00 15.00 N ATOM 400 CA GLY A 24 67.005 -1.287 1.057 1.00 15.00 C ATOM 401 C GLY A 24 66.518 -0.341 2.154 1.00 15.00 C ATOM 402 O GLY A 24 65.402 -0.457 2.625 1.00 15.00 O ATOM 0 H GLY A 24 64.991 -1.994 1.076 1.00 15.00 H new ATOM 0 HA2 GLY A 24 67.892 -1.826 1.391 1.00 15.00 H new ATOM 0 HA3 GLY A 24 67.292 -0.720 0.171 1.00 15.00 H new ATOM 406 N ILE A 25 67.341 0.593 2.564 1.00 15.00 N ATOM 407 CA ILE A 25 66.920 1.541 3.644 1.00 15.00 C ATOM 408 C ILE A 25 66.651 2.923 3.042 1.00 15.00 C ATOM 409 O ILE A 25 67.419 3.419 2.237 1.00 15.00 O ATOM 410 CB ILE A 25 68.092 1.600 4.641 1.00 15.00 C ATOM 411 CG1 ILE A 25 68.498 0.179 5.092 1.00 15.00 C ATOM 412 CG2 ILE A 25 67.678 2.424 5.866 1.00 15.00 C ATOM 413 CD1 ILE A 25 67.310 -0.548 5.742 1.00 15.00 C ATOM 0 H ILE A 25 68.282 0.740 2.200 1.00 15.00 H new ATOM 0 HA ILE A 25 66.004 1.216 4.137 1.00 15.00 H new ATOM 0 HB ILE A 25 68.945 2.067 4.149 1.00 15.00 H new ATOM 0 HG12 ILE A 25 68.854 -0.392 4.234 1.00 15.00 H new ATOM 0 HG13 ILE A 25 69.325 0.240 5.800 1.00 15.00 H new ATOM 0 HG21 ILE A 25 68.507 2.467 6.573 1.00 15.00 H new ATOM 0 HG22 ILE A 25 67.416 3.435 5.553 1.00 15.00 H new ATOM 0 HG23 ILE A 25 66.817 1.957 6.344 1.00 15.00 H new ATOM 0 HD11 ILE A 25 67.619 -1.546 6.052 1.00 15.00 H new ATOM 0 HD12 ILE A 25 66.972 0.014 6.613 1.00 15.00 H new ATOM 0 HD13 ILE A 25 66.495 -0.628 5.023 1.00 15.00 H new ATOM 425 N LEU A 26 65.564 3.546 3.432 1.00 15.00 N ATOM 426 CA LEU A 26 65.182 4.870 2.839 1.00 15.00 C ATOM 427 C LEU A 26 66.252 5.922 3.143 1.00 15.00 C ATOM 428 O LEU A 26 66.397 6.355 4.269 1.00 15.00 O ATOM 429 CB LEU A 26 63.863 5.246 3.516 1.00 15.00 C ATOM 430 CG LEU A 26 63.190 6.378 2.742 1.00 15.00 C ATOM 431 CD1 LEU A 26 62.512 5.811 1.494 1.00 15.00 C ATOM 432 CD2 LEU A 26 62.141 7.046 3.632 1.00 15.00 C ATOM 0 H LEU A 26 64.920 3.193 4.140 1.00 15.00 H new ATOM 0 HA LEU A 26 65.087 4.817 1.754 1.00 15.00 H new ATOM 0 HB2 LEU A 26 63.204 4.379 3.557 1.00 15.00 H new ATOM 0 HB3 LEU A 26 64.047 5.555 4.545 1.00 15.00 H new ATOM 0 HG LEU A 26 63.939 7.112 2.446 1.00 15.00 H new ATOM 0 HD11 LEU A 26 62.032 6.619 0.942 1.00 15.00 H new ATOM 0 HD12 LEU A 26 63.258 5.332 0.860 1.00 15.00 H new ATOM 0 HD13 LEU A 26 61.762 5.077 1.789 1.00 15.00 H new ATOM 0 HD21 LEU A 26 61.659 7.854 3.082 1.00 15.00 H new ATOM 0 HD22 LEU A 26 61.392 6.311 3.927 1.00 15.00 H new ATOM 0 HD23 LEU A 26 62.623 7.450 4.522 1.00 15.00 H new ATOM 444 N TYR A 27 66.996 6.331 2.144 1.00 15.00 N ATOM 445 CA TYR A 27 68.092 7.321 2.372 1.00 15.00 C ATOM 446 C TYR A 27 67.559 8.749 2.225 1.00 15.00 C ATOM 447 O TYR A 27 67.746 9.579 3.097 1.00 15.00 O ATOM 448 CB TYR A 27 69.135 7.025 1.294 1.00 15.00 C ATOM 449 CG TYR A 27 70.383 7.866 1.418 1.00 15.00 C ATOM 450 CD1 TYR A 27 71.135 7.843 2.617 1.00 15.00 C ATOM 451 CD2 TYR A 27 70.799 8.680 0.336 1.00 15.00 C ATOM 452 CE1 TYR A 27 72.303 8.634 2.737 1.00 15.00 C ATOM 453 CE2 TYR A 27 71.969 9.471 0.456 1.00 15.00 C ATOM 454 CZ TYR A 27 72.721 9.447 1.655 1.00 15.00 C ATOM 455 OH TYR A 27 73.860 10.218 1.771 1.00 15.00 O ATOM 0 H TYR A 27 66.890 6.020 1.178 1.00 15.00 H new ATOM 0 HA TYR A 27 68.512 7.241 3.375 1.00 15.00 H new ATOM 0 HB2 TYR A 27 69.410 5.971 1.345 1.00 15.00 H new ATOM 0 HB3 TYR A 27 68.690 7.192 0.313 1.00 15.00 H new ATOM 0 HD1 TYR A 27 70.817 7.221 3.441 1.00 15.00 H new ATOM 0 HD2 TYR A 27 70.226 8.698 -0.579 1.00 15.00 H new ATOM 0 HE1 TYR A 27 72.875 8.618 3.653 1.00 15.00 H new ATOM 0 HE2 TYR A 27 72.287 10.093 -0.368 1.00 15.00 H new ATOM 0 HH TYR A 27 74.005 10.714 0.939 1.00 15.00 H new ATOM 465 N THR A 28 66.898 9.039 1.130 1.00 15.00 N ATOM 466 CA THR A 28 66.388 10.428 0.904 1.00 15.00 C ATOM 467 C THR A 28 65.041 10.394 0.175 1.00 15.00 C ATOM 468 O THR A 28 64.809 9.556 -0.677 1.00 15.00 O ATOM 469 CB THR A 28 67.448 11.108 0.038 1.00 15.00 C ATOM 470 OG1 THR A 28 67.788 10.260 -1.049 1.00 15.00 O ATOM 471 CG2 THR A 28 68.695 11.387 0.879 1.00 15.00 C ATOM 0 H THR A 28 66.690 8.375 0.384 1.00 15.00 H new ATOM 0 HA THR A 28 66.225 10.959 1.842 1.00 15.00 H new ATOM 0 HB THR A 28 67.053 12.049 -0.346 1.00 15.00 H new ATOM 0 HG1 THR A 28 68.467 10.697 -1.605 1.00 15.00 H new ATOM 0 HG21 THR A 28 69.450 11.872 0.260 1.00 15.00 H new ATOM 0 HG22 THR A 28 68.434 12.040 1.711 1.00 15.00 H new ATOM 0 HG23 THR A 28 69.091 10.448 1.265 1.00 15.00 H new ATOM 479 N ILE A 29 64.157 11.305 0.507 1.00 15.00 N ATOM 480 CA ILE A 29 62.812 11.339 -0.150 1.00 15.00 C ATOM 481 C ILE A 29 62.654 12.648 -0.935 1.00 15.00 C ATOM 482 O ILE A 29 62.817 13.725 -0.391 1.00 15.00 O ATOM 483 CB ILE A 29 61.791 11.274 1.002 1.00 15.00 C ATOM 484 CG1 ILE A 29 62.010 10.004 1.835 1.00 15.00 C ATOM 485 CG2 ILE A 29 60.369 11.253 0.430 1.00 15.00 C ATOM 486 CD1 ILE A 29 61.206 10.098 3.136 1.00 15.00 C ATOM 0 H ILE A 29 64.311 12.030 1.208 1.00 15.00 H new ATOM 0 HA ILE A 29 62.674 10.518 -0.853 1.00 15.00 H new ATOM 0 HB ILE A 29 61.925 12.150 1.636 1.00 15.00 H new ATOM 0 HG12 ILE A 29 61.701 9.127 1.267 1.00 15.00 H new ATOM 0 HG13 ILE A 29 63.070 9.882 2.059 1.00 15.00 H new ATOM 0 HG21 ILE A 29 59.649 11.207 1.247 1.00 15.00 H new ATOM 0 HG22 ILE A 29 60.198 12.158 -0.154 1.00 15.00 H new ATOM 0 HG23 ILE A 29 60.247 10.379 -0.211 1.00 15.00 H new ATOM 0 HD11 ILE A 29 61.363 9.195 3.726 1.00 15.00 H new ATOM 0 HD12 ILE A 29 61.536 10.966 3.706 1.00 15.00 H new ATOM 0 HD13 ILE A 29 60.146 10.199 2.902 1.00 15.00 H new ATOM 498 N ASP A 30 62.340 12.561 -2.205 1.00 15.00 N ATOM 499 CA ASP A 30 62.110 13.794 -3.016 1.00 15.00 C ATOM 500 C ASP A 30 60.634 13.890 -3.411 1.00 15.00 C ATOM 501 O ASP A 30 60.207 13.292 -4.383 1.00 15.00 O ATOM 502 CB ASP A 30 62.991 13.626 -4.255 1.00 15.00 C ATOM 503 CG ASP A 30 63.044 14.946 -5.027 1.00 15.00 C ATOM 504 OD1 ASP A 30 62.134 15.195 -5.799 1.00 15.00 O ATOM 505 OD2 ASP A 30 63.996 15.685 -4.832 1.00 15.00 O ATOM 0 H ASP A 30 62.233 11.684 -2.715 1.00 15.00 H new ATOM 0 HA ASP A 30 62.354 14.704 -2.468 1.00 15.00 H new ATOM 0 HB2 ASP A 30 63.996 13.324 -3.961 1.00 15.00 H new ATOM 0 HB3 ASP A 30 62.594 12.836 -4.892 1.00 15.00 H new ATOM 510 N THR A 31 59.858 14.633 -2.662 1.00 15.00 N ATOM 511 CA THR A 31 58.389 14.718 -2.944 1.00 15.00 C ATOM 512 C THR A 31 58.138 15.507 -4.233 1.00 15.00 C ATOM 513 O THR A 31 57.250 15.187 -5.001 1.00 15.00 O ATOM 514 CB THR A 31 57.785 15.451 -1.742 1.00 15.00 C ATOM 515 OG1 THR A 31 58.236 14.839 -0.542 1.00 15.00 O ATOM 516 CG2 THR A 31 56.258 15.380 -1.811 1.00 15.00 C ATOM 0 H THR A 31 60.177 15.186 -1.866 1.00 15.00 H new ATOM 0 HA THR A 31 57.945 13.732 -3.082 1.00 15.00 H new ATOM 0 HB THR A 31 58.098 16.495 -1.758 1.00 15.00 H new ATOM 0 HG1 THR A 31 57.852 15.307 0.228 1.00 15.00 H new ATOM 0 HG21 THR A 31 55.830 15.902 -0.955 1.00 15.00 H new ATOM 0 HG22 THR A 31 55.913 15.850 -2.732 1.00 15.00 H new ATOM 0 HG23 THR A 31 55.941 14.337 -1.795 1.00 15.00 H new ATOM 524 N GLU A 32 58.920 16.531 -4.478 1.00 15.00 N ATOM 525 CA GLU A 32 58.624 17.464 -5.619 1.00 15.00 C ATOM 526 C GLU A 32 58.605 16.713 -6.957 1.00 15.00 C ATOM 527 O GLU A 32 57.907 17.097 -7.877 1.00 15.00 O ATOM 528 CB GLU A 32 59.759 18.492 -5.606 1.00 15.00 C ATOM 529 CG GLU A 32 59.662 19.346 -4.341 1.00 15.00 C ATOM 530 CD GLU A 32 60.748 20.423 -4.366 1.00 15.00 C ATOM 531 OE1 GLU A 32 61.895 20.085 -4.124 1.00 15.00 O ATOM 532 OE2 GLU A 32 60.415 21.568 -4.627 1.00 15.00 O ATOM 0 H GLU A 32 59.753 16.764 -3.938 1.00 15.00 H new ATOM 0 HA GLU A 32 57.644 17.928 -5.508 1.00 15.00 H new ATOM 0 HB2 GLU A 32 60.723 17.985 -5.642 1.00 15.00 H new ATOM 0 HB3 GLU A 32 59.699 19.126 -6.491 1.00 15.00 H new ATOM 0 HG2 GLU A 32 58.677 19.809 -4.277 1.00 15.00 H new ATOM 0 HG3 GLU A 32 59.777 18.719 -3.457 1.00 15.00 H new ATOM 539 N ASN A 33 59.362 15.648 -7.069 1.00 15.00 N ATOM 540 CA ASN A 33 59.437 14.907 -8.369 1.00 15.00 C ATOM 541 C ASN A 33 58.867 13.485 -8.242 1.00 15.00 C ATOM 542 O ASN A 33 59.068 12.658 -9.111 1.00 15.00 O ATOM 543 CB ASN A 33 60.929 14.850 -8.704 1.00 15.00 C ATOM 544 CG ASN A 33 61.449 16.260 -9.006 1.00 15.00 C ATOM 545 OD1 ASN A 33 60.718 17.102 -9.490 1.00 15.00 O ATOM 546 ND2 ASN A 33 62.693 16.553 -8.740 1.00 15.00 N ATOM 0 H ASN A 33 59.931 15.260 -6.317 1.00 15.00 H new ATOM 0 HA ASN A 33 58.851 15.402 -9.143 1.00 15.00 H new ATOM 0 HB2 ASN A 33 61.482 14.420 -7.869 1.00 15.00 H new ATOM 0 HB3 ASN A 33 61.093 14.200 -9.564 1.00 15.00 H new ATOM 0 HD21 ASN A 33 63.050 17.488 -8.938 1.00 15.00 H new ATOM 0 HD22 ASN A 33 63.308 15.847 -8.334 1.00 15.00 H new ATOM 553 N SER A 34 58.152 13.189 -7.170 1.00 15.00 N ATOM 554 CA SER A 34 57.620 11.797 -6.946 1.00 15.00 C ATOM 555 C SER A 34 58.728 10.742 -7.117 1.00 15.00 C ATOM 556 O SER A 34 58.552 9.745 -7.798 1.00 15.00 O ATOM 557 CB SER A 34 56.524 11.612 -8.001 1.00 15.00 C ATOM 558 OG SER A 34 55.970 10.308 -7.878 1.00 15.00 O ATOM 0 H SER A 34 57.914 13.858 -6.438 1.00 15.00 H new ATOM 0 HA SER A 34 57.238 11.671 -5.933 1.00 15.00 H new ATOM 0 HB2 SER A 34 55.746 12.364 -7.870 1.00 15.00 H new ATOM 0 HB3 SER A 34 56.937 11.752 -9.000 1.00 15.00 H new ATOM 0 HG SER A 34 56.684 9.641 -7.952 1.00 15.00 H new ATOM 564 N THR A 35 59.867 10.956 -6.501 1.00 15.00 N ATOM 565 CA THR A 35 61.004 9.995 -6.652 1.00 15.00 C ATOM 566 C THR A 35 61.597 9.644 -5.284 1.00 15.00 C ATOM 567 O THR A 35 61.602 10.451 -4.372 1.00 15.00 O ATOM 568 CB THR A 35 62.038 10.726 -7.513 1.00 15.00 C ATOM 569 OG1 THR A 35 62.231 12.039 -7.004 1.00 15.00 O ATOM 570 CG2 THR A 35 61.552 10.807 -8.964 1.00 15.00 C ATOM 0 H THR A 35 60.057 11.757 -5.899 1.00 15.00 H new ATOM 0 HA THR A 35 60.685 9.057 -7.107 1.00 15.00 H new ATOM 0 HB THR A 35 62.979 10.177 -7.484 1.00 15.00 H new ATOM 0 HG1 THR A 35 62.894 12.508 -7.553 1.00 15.00 H new ATOM 0 HG21 THR A 35 62.295 11.329 -9.568 1.00 15.00 H new ATOM 0 HG22 THR A 35 61.408 9.800 -9.356 1.00 15.00 H new ATOM 0 HG23 THR A 35 60.608 11.350 -9.002 1.00 15.00 H new ATOM 578 N VAL A 36 62.101 8.443 -5.141 1.00 15.00 N ATOM 579 CA VAL A 36 62.699 8.017 -3.837 1.00 15.00 C ATOM 580 C VAL A 36 64.079 7.395 -4.082 1.00 15.00 C ATOM 581 O VAL A 36 64.272 6.651 -5.028 1.00 15.00 O ATOM 582 CB VAL A 36 61.722 6.976 -3.264 1.00 15.00 C ATOM 583 CG1 VAL A 36 62.229 6.474 -1.909 1.00 15.00 C ATOM 584 CG2 VAL A 36 60.340 7.613 -3.071 1.00 15.00 C ATOM 0 H VAL A 36 62.124 7.735 -5.875 1.00 15.00 H new ATOM 0 HA VAL A 36 62.840 8.850 -3.149 1.00 15.00 H new ATOM 0 HB VAL A 36 61.651 6.141 -3.961 1.00 15.00 H new ATOM 0 HG11 VAL A 36 61.532 5.737 -1.510 1.00 15.00 H new ATOM 0 HG12 VAL A 36 63.210 6.015 -2.035 1.00 15.00 H new ATOM 0 HG13 VAL A 36 62.307 7.312 -1.217 1.00 15.00 H new ATOM 0 HG21 VAL A 36 59.651 6.872 -2.665 1.00 15.00 H new ATOM 0 HG22 VAL A 36 60.419 8.452 -2.380 1.00 15.00 H new ATOM 0 HG23 VAL A 36 59.966 7.968 -4.031 1.00 15.00 H new ATOM 594 N ALA A 37 65.037 7.695 -3.236 1.00 15.00 N ATOM 595 CA ALA A 37 66.400 7.101 -3.393 1.00 15.00 C ATOM 596 C ALA A 37 66.697 6.156 -2.226 1.00 15.00 C ATOM 597 O ALA A 37 66.552 6.522 -1.072 1.00 15.00 O ATOM 598 CB ALA A 37 67.367 8.290 -3.386 1.00 15.00 C ATOM 0 H ALA A 37 64.931 8.327 -2.443 1.00 15.00 H new ATOM 0 HA ALA A 37 66.491 6.517 -4.309 1.00 15.00 H new ATOM 0 HB1 ALA A 37 68.389 7.928 -3.498 1.00 15.00 H new ATOM 0 HB2 ALA A 37 67.127 8.959 -4.212 1.00 15.00 H new ATOM 0 HB3 ALA A 37 67.274 8.829 -2.443 1.00 15.00 H new ATOM 604 N LEU A 38 67.113 4.948 -2.523 1.00 15.00 N ATOM 605 CA LEU A 38 67.397 3.952 -1.446 1.00 15.00 C ATOM 606 C LEU A 38 68.878 3.574 -1.465 1.00 15.00 C ATOM 607 O LEU A 38 69.454 3.353 -2.515 1.00 15.00 O ATOM 608 CB LEU A 38 66.537 2.732 -1.790 1.00 15.00 C ATOM 609 CG LEU A 38 65.086 2.983 -1.375 1.00 15.00 C ATOM 610 CD1 LEU A 38 64.176 1.969 -2.072 1.00 15.00 C ATOM 611 CD2 LEU A 38 64.952 2.820 0.141 1.00 15.00 C ATOM 0 H LEU A 38 67.268 4.609 -3.472 1.00 15.00 H new ATOM 0 HA LEU A 38 67.172 4.343 -0.454 1.00 15.00 H new ATOM 0 HB2 LEU A 38 66.588 2.530 -2.860 1.00 15.00 H new ATOM 0 HB3 LEU A 38 66.923 1.849 -1.280 1.00 15.00 H new ATOM 0 HG LEU A 38 64.797 3.994 -1.661 1.00 15.00 H new ATOM 0 HD11 LEU A 38 63.142 2.146 -1.778 1.00 15.00 H new ATOM 0 HD12 LEU A 38 64.270 2.078 -3.152 1.00 15.00 H new ATOM 0 HD13 LEU A 38 64.468 0.959 -1.783 1.00 15.00 H new ATOM 0 HD21 LEU A 38 63.918 2.999 0.436 1.00 15.00 H new ATOM 0 HD22 LEU A 38 65.241 1.808 0.425 1.00 15.00 H new ATOM 0 HD23 LEU A 38 65.602 3.537 0.643 1.00 15.00 H new ATOM 623 N ALA A 39 69.495 3.497 -0.312 1.00 15.00 N ATOM 624 CA ALA A 39 70.943 3.127 -0.250 1.00 15.00 C ATOM 625 C ALA A 39 71.105 1.774 0.445 1.00 15.00 C ATOM 626 O ALA A 39 70.210 1.310 1.129 1.00 15.00 O ATOM 627 CB ALA A 39 71.602 4.237 0.569 1.00 15.00 C ATOM 0 H ALA A 39 69.057 3.675 0.592 1.00 15.00 H new ATOM 0 HA ALA A 39 71.392 3.034 -1.239 1.00 15.00 H new ATOM 0 HB1 ALA A 39 72.670 4.037 0.660 1.00 15.00 H new ATOM 0 HB2 ALA A 39 71.453 5.195 0.070 1.00 15.00 H new ATOM 0 HB3 ALA A 39 71.154 4.272 1.562 1.00 15.00 H new ATOM 633 N LYS A 40 72.245 1.136 0.274 1.00 15.00 N ATOM 634 CA LYS A 40 72.473 -0.228 0.868 1.00 15.00 C ATOM 635 C LYS A 40 71.325 -1.178 0.485 1.00 15.00 C ATOM 636 O LYS A 40 70.633 -1.712 1.334 1.00 15.00 O ATOM 637 CB LYS A 40 72.525 -0.010 2.386 1.00 15.00 C ATOM 638 CG LYS A 40 73.009 -1.291 3.069 1.00 15.00 C ATOM 639 CD LYS A 40 72.992 -1.098 4.586 1.00 15.00 C ATOM 640 CE LYS A 40 73.633 -2.311 5.264 1.00 15.00 C ATOM 641 NZ LYS A 40 74.022 -1.834 6.620 1.00 15.00 N ATOM 0 H LYS A 40 73.034 1.505 -0.256 1.00 15.00 H new ATOM 0 HA LYS A 40 73.391 -0.686 0.501 1.00 15.00 H new ATOM 0 HB2 LYS A 40 73.195 0.817 2.623 1.00 15.00 H new ATOM 0 HB3 LYS A 40 71.538 0.263 2.759 1.00 15.00 H new ATOM 0 HG2 LYS A 40 72.369 -2.128 2.791 1.00 15.00 H new ATOM 0 HG3 LYS A 40 74.017 -1.536 2.734 1.00 15.00 H new ATOM 0 HD2 LYS A 40 73.533 -0.191 4.854 1.00 15.00 H new ATOM 0 HD3 LYS A 40 71.967 -0.972 4.935 1.00 15.00 H new ATOM 0 HE2 LYS A 40 72.933 -3.145 5.325 1.00 15.00 H new ATOM 0 HE3 LYS A 40 74.500 -2.663 4.705 1.00 15.00 H new ATOM 0 HZ1 LYS A 40 74.469 -2.611 7.146 1.00 15.00 H new ATOM 0 HZ2 LYS A 40 74.694 -1.045 6.531 1.00 15.00 H new ATOM 0 HZ3 LYS A 40 73.175 -1.512 7.131 1.00 15.00 H new ATOM 655 N VAL A 41 71.126 -1.386 -0.794 1.00 15.00 N ATOM 656 CA VAL A 41 69.948 -2.183 -1.259 1.00 15.00 C ATOM 657 C VAL A 41 70.414 -3.396 -2.078 1.00 15.00 C ATOM 658 O VAL A 41 71.415 -3.343 -2.769 1.00 15.00 O ATOM 659 CB VAL A 41 69.118 -1.208 -2.113 1.00 15.00 C ATOM 660 CG1 VAL A 41 69.905 -0.772 -3.355 1.00 15.00 C ATOM 661 CG2 VAL A 41 67.813 -1.885 -2.551 1.00 15.00 C ATOM 0 H VAL A 41 71.730 -1.037 -1.538 1.00 15.00 H new ATOM 0 HA VAL A 41 69.361 -2.583 -0.432 1.00 15.00 H new ATOM 0 HB VAL A 41 68.893 -0.328 -1.511 1.00 15.00 H new ATOM 0 HG11 VAL A 41 69.301 -0.083 -3.945 1.00 15.00 H new ATOM 0 HG12 VAL A 41 70.825 -0.275 -3.047 1.00 15.00 H new ATOM 0 HG13 VAL A 41 70.149 -1.647 -3.957 1.00 15.00 H new ATOM 0 HG21 VAL A 41 67.228 -1.191 -3.155 1.00 15.00 H new ATOM 0 HG22 VAL A 41 68.044 -2.773 -3.139 1.00 15.00 H new ATOM 0 HG23 VAL A 41 67.239 -2.172 -1.670 1.00 15.00 H new ATOM 671 N ARG A 42 69.688 -4.483 -1.998 1.00 15.00 N ATOM 672 CA ARG A 42 70.052 -5.701 -2.782 1.00 15.00 C ATOM 673 C ARG A 42 68.795 -6.326 -3.394 1.00 15.00 C ATOM 674 O ARG A 42 67.711 -6.209 -2.851 1.00 15.00 O ATOM 675 CB ARG A 42 70.684 -6.654 -1.766 1.00 15.00 C ATOM 676 CG ARG A 42 71.321 -7.835 -2.501 1.00 15.00 C ATOM 677 CD ARG A 42 72.103 -8.702 -1.510 1.00 15.00 C ATOM 678 NE ARG A 42 71.085 -9.621 -0.908 1.00 15.00 N ATOM 679 CZ ARG A 42 70.447 -9.324 0.212 1.00 15.00 C ATOM 680 NH1 ARG A 42 70.660 -8.202 0.863 1.00 15.00 N ATOM 681 NH2 ARG A 42 69.575 -10.173 0.684 1.00 15.00 N ATOM 0 H ARG A 42 68.854 -4.579 -1.419 1.00 15.00 H new ATOM 0 HA ARG A 42 70.731 -5.476 -3.605 1.00 15.00 H new ATOM 0 HB2 ARG A 42 71.437 -6.129 -1.178 1.00 15.00 H new ATOM 0 HB3 ARG A 42 69.927 -7.012 -1.068 1.00 15.00 H new ATOM 0 HG2 ARG A 42 70.549 -8.430 -2.989 1.00 15.00 H new ATOM 0 HG3 ARG A 42 71.986 -7.472 -3.284 1.00 15.00 H new ATOM 0 HD2 ARG A 42 72.891 -9.262 -2.013 1.00 15.00 H new ATOM 0 HD3 ARG A 42 72.584 -8.091 -0.746 1.00 15.00 H new ATOM 0 HE ARG A 42 70.877 -10.503 -1.376 1.00 15.00 H new ATOM 0 HH11 ARG A 42 71.336 -7.526 0.507 1.00 15.00 H new ATOM 0 HH12 ARG A 42 70.149 -8.007 1.724 1.00 15.00 H new ATOM 0 HH21 ARG A 42 69.396 -11.047 0.190 1.00 15.00 H new ATOM 0 HH22 ARG A 42 69.073 -9.962 1.546 1.00 15.00 H new ATOM 695 N SER A 43 68.936 -6.984 -4.518 1.00 15.00 N ATOM 696 CA SER A 43 67.761 -7.652 -5.157 1.00 15.00 C ATOM 697 C SER A 43 67.723 -9.131 -4.753 1.00 15.00 C ATOM 698 O SER A 43 68.714 -9.831 -4.852 1.00 15.00 O ATOM 699 CB SER A 43 67.990 -7.497 -6.663 1.00 15.00 C ATOM 700 OG SER A 43 69.020 -8.385 -7.084 1.00 15.00 O ATOM 0 H SER A 43 69.817 -7.087 -5.022 1.00 15.00 H new ATOM 0 HA SER A 43 66.809 -7.217 -4.851 1.00 15.00 H new ATOM 0 HB2 SER A 43 67.069 -7.710 -7.205 1.00 15.00 H new ATOM 0 HB3 SER A 43 68.266 -6.468 -6.895 1.00 15.00 H new ATOM 0 HG SER A 43 69.040 -9.167 -6.493 1.00 15.00 H new ATOM 706 N PHE A 44 66.588 -9.607 -4.301 1.00 15.00 N ATOM 707 CA PHE A 44 66.514 -11.009 -3.775 1.00 15.00 C ATOM 708 C PHE A 44 66.656 -12.017 -4.918 1.00 15.00 C ATOM 709 O PHE A 44 67.314 -13.031 -4.778 1.00 15.00 O ATOM 710 CB PHE A 44 65.133 -11.128 -3.121 1.00 15.00 C ATOM 711 CG PHE A 44 65.127 -10.750 -1.659 1.00 15.00 C ATOM 712 CD1 PHE A 44 64.949 -11.749 -0.670 1.00 15.00 C ATOM 713 CD2 PHE A 44 65.300 -9.398 -1.276 1.00 15.00 C ATOM 714 CE1 PHE A 44 64.944 -11.396 0.701 1.00 15.00 C ATOM 715 CE2 PHE A 44 65.295 -9.045 0.096 1.00 15.00 C ATOM 716 CZ PHE A 44 65.117 -10.044 1.084 1.00 15.00 C ATOM 0 H PHE A 44 65.711 -9.088 -4.273 1.00 15.00 H new ATOM 0 HA PHE A 44 67.315 -11.219 -3.067 1.00 15.00 H new ATOM 0 HB2 PHE A 44 64.430 -10.490 -3.656 1.00 15.00 H new ATOM 0 HB3 PHE A 44 64.777 -12.153 -3.225 1.00 15.00 H new ATOM 0 HD1 PHE A 44 64.817 -12.780 -0.962 1.00 15.00 H new ATOM 0 HD2 PHE A 44 65.436 -8.636 -2.029 1.00 15.00 H new ATOM 0 HE1 PHE A 44 64.808 -12.158 1.454 1.00 15.00 H new ATOM 0 HE2 PHE A 44 65.427 -8.014 0.389 1.00 15.00 H new ATOM 0 HZ PHE A 44 65.113 -9.774 2.130 1.00 15.00 H new ATOM 984 N PHE A 62 74.296 -2.876 -3.935 1.00 15.00 N ATOM 985 CA PHE A 62 74.481 -1.558 -4.614 1.00 15.00 C ATOM 986 C PHE A 62 74.401 -0.423 -3.590 1.00 15.00 C ATOM 987 O PHE A 62 73.509 -0.389 -2.761 1.00 15.00 O ATOM 988 CB PHE A 62 73.330 -1.461 -5.614 1.00 15.00 C ATOM 989 CG PHE A 62 73.369 -2.528 -6.683 1.00 15.00 C ATOM 990 CD1 PHE A 62 74.236 -2.387 -7.793 1.00 15.00 C ATOM 991 CD2 PHE A 62 72.538 -3.669 -6.573 1.00 15.00 C ATOM 992 CE1 PHE A 62 74.271 -3.387 -8.795 1.00 15.00 C ATOM 993 CE2 PHE A 62 72.573 -4.670 -7.575 1.00 15.00 C ATOM 994 CZ PHE A 62 73.440 -4.528 -8.686 1.00 15.00 C ATOM 0 HA PHE A 62 75.452 -1.477 -5.104 1.00 15.00 H new ATOM 0 HB2 PHE A 62 72.385 -1.531 -5.076 1.00 15.00 H new ATOM 0 HB3 PHE A 62 73.354 -0.480 -6.089 1.00 15.00 H new ATOM 0 HD1 PHE A 62 74.871 -1.517 -7.876 1.00 15.00 H new ATOM 0 HD2 PHE A 62 71.877 -3.776 -5.725 1.00 15.00 H new ATOM 0 HE1 PHE A 62 74.932 -3.279 -9.642 1.00 15.00 H new ATOM 0 HE2 PHE A 62 71.939 -5.541 -7.492 1.00 15.00 H new ATOM 0 HZ PHE A 62 73.467 -5.291 -9.450 1.00 15.00 H new ATOM 1004 N GLU A 63 75.328 0.501 -3.647 1.00 15.00 N ATOM 1005 CA GLU A 63 75.361 1.609 -2.637 1.00 15.00 C ATOM 1006 C GLU A 63 74.152 2.536 -2.804 1.00 15.00 C ATOM 1007 O GLU A 63 73.581 2.994 -1.831 1.00 15.00 O ATOM 1008 CB GLU A 63 76.659 2.373 -2.913 1.00 15.00 C ATOM 1009 CG GLU A 63 77.858 1.484 -2.576 1.00 15.00 C ATOM 1010 CD GLU A 63 79.154 2.282 -2.746 1.00 15.00 C ATOM 1011 OE1 GLU A 63 79.259 3.006 -3.723 1.00 15.00 O ATOM 1012 OE2 GLU A 63 80.020 2.154 -1.896 1.00 15.00 O ATOM 0 H GLU A 63 76.066 0.538 -4.350 1.00 15.00 H new ATOM 0 HA GLU A 63 75.322 1.223 -1.618 1.00 15.00 H new ATOM 0 HB2 GLU A 63 76.700 2.675 -3.960 1.00 15.00 H new ATOM 0 HB3 GLU A 63 76.690 3.285 -2.317 1.00 15.00 H new ATOM 0 HG2 GLU A 63 77.776 1.118 -1.552 1.00 15.00 H new ATOM 0 HG3 GLU A 63 77.869 0.610 -3.227 1.00 15.00 H new ATOM 1019 N TYR A 64 73.756 2.814 -4.025 1.00 15.00 N ATOM 1020 CA TYR A 64 72.653 3.797 -4.252 1.00 15.00 C ATOM 1021 C TYR A 64 71.905 3.486 -5.554 1.00 15.00 C ATOM 1022 O TYR A 64 72.490 3.446 -6.621 1.00 15.00 O ATOM 1023 CB TYR A 64 73.357 5.151 -4.353 1.00 15.00 C ATOM 1024 CG TYR A 64 72.437 6.334 -4.160 1.00 15.00 C ATOM 1025 CD1 TYR A 64 71.395 6.583 -5.087 1.00 15.00 C ATOM 1026 CD2 TYR A 64 72.621 7.200 -3.055 1.00 15.00 C ATOM 1027 CE1 TYR A 64 70.539 7.696 -4.907 1.00 15.00 C ATOM 1028 CE2 TYR A 64 71.763 8.313 -2.876 1.00 15.00 C ATOM 1029 CZ TYR A 64 70.723 8.561 -3.802 1.00 15.00 C ATOM 1030 OH TYR A 64 69.888 9.646 -3.628 1.00 15.00 O ATOM 0 H TYR A 64 74.150 2.402 -4.871 1.00 15.00 H new ATOM 0 HA TYR A 64 71.911 3.771 -3.454 1.00 15.00 H new ATOM 0 HB2 TYR A 64 74.150 5.194 -3.606 1.00 15.00 H new ATOM 0 HB3 TYR A 64 73.834 5.230 -5.330 1.00 15.00 H new ATOM 0 HD1 TYR A 64 71.254 5.924 -5.931 1.00 15.00 H new ATOM 0 HD2 TYR A 64 73.416 7.012 -2.348 1.00 15.00 H new ATOM 0 HE1 TYR A 64 69.745 7.885 -5.614 1.00 15.00 H new ATOM 0 HE2 TYR A 64 71.903 8.972 -2.032 1.00 15.00 H new ATOM 0 HH TYR A 64 70.151 10.135 -2.820 1.00 15.00 H new ATOM 1040 N ILE A 65 70.615 3.263 -5.466 1.00 15.00 N ATOM 1041 CA ILE A 65 69.780 3.123 -6.704 1.00 15.00 C ATOM 1042 C ILE A 65 68.553 4.043 -6.604 1.00 15.00 C ATOM 1043 O ILE A 65 68.028 4.274 -5.530 1.00 15.00 O ATOM 1044 CB ILE A 65 69.361 1.642 -6.760 1.00 15.00 C ATOM 1045 CG1 ILE A 65 70.614 0.763 -6.894 1.00 15.00 C ATOM 1046 CG2 ILE A 65 68.445 1.404 -7.970 1.00 15.00 C ATOM 1047 CD1 ILE A 65 70.226 -0.718 -6.818 1.00 15.00 C ATOM 0 H ILE A 65 70.103 3.172 -4.589 1.00 15.00 H new ATOM 0 HA ILE A 65 70.322 3.408 -7.606 1.00 15.00 H new ATOM 0 HB ILE A 65 68.825 1.386 -5.846 1.00 15.00 H new ATOM 0 HG12 ILE A 65 71.113 0.969 -7.841 1.00 15.00 H new ATOM 0 HG13 ILE A 65 71.323 1.003 -6.102 1.00 15.00 H new ATOM 0 HG21 ILE A 65 68.152 0.355 -8.004 1.00 15.00 H new ATOM 0 HG22 ILE A 65 67.555 2.026 -7.880 1.00 15.00 H new ATOM 0 HG23 ILE A 65 68.977 1.662 -8.886 1.00 15.00 H new ATOM 0 HD11 ILE A 65 71.120 -1.334 -6.914 1.00 15.00 H new ATOM 0 HD12 ILE A 65 69.747 -0.920 -5.860 1.00 15.00 H new ATOM 0 HD13 ILE A 65 69.534 -0.955 -7.626 1.00 15.00 H new ATOM 1059 N ILE A 66 68.101 4.565 -7.719 1.00 15.00 N ATOM 1060 CA ILE A 66 66.938 5.507 -7.704 1.00 15.00 C ATOM 1061 C ILE A 66 65.717 4.841 -8.353 1.00 15.00 C ATOM 1062 O ILE A 66 65.828 4.181 -9.369 1.00 15.00 O ATOM 1063 CB ILE A 66 67.393 6.728 -8.522 1.00 15.00 C ATOM 1064 CG1 ILE A 66 68.604 7.383 -7.849 1.00 15.00 C ATOM 1065 CG2 ILE A 66 66.260 7.758 -8.605 1.00 15.00 C ATOM 1066 CD1 ILE A 66 69.289 8.327 -8.838 1.00 15.00 C ATOM 0 H ILE A 66 68.490 4.378 -8.643 1.00 15.00 H new ATOM 0 HA ILE A 66 66.647 5.790 -6.692 1.00 15.00 H new ATOM 0 HB ILE A 66 67.660 6.394 -9.525 1.00 15.00 H new ATOM 0 HG12 ILE A 66 68.287 7.934 -6.964 1.00 15.00 H new ATOM 0 HG13 ILE A 66 69.305 6.618 -7.515 1.00 15.00 H new ATOM 0 HG21 ILE A 66 66.592 8.618 -9.186 1.00 15.00 H new ATOM 0 HG22 ILE A 66 65.393 7.307 -9.088 1.00 15.00 H new ATOM 0 HG23 ILE A 66 65.988 8.082 -7.600 1.00 15.00 H new ATOM 0 HD11 ILE A 66 70.150 8.793 -8.359 1.00 15.00 H new ATOM 0 HD12 ILE A 66 69.620 7.763 -9.710 1.00 15.00 H new ATOM 0 HD13 ILE A 66 68.586 9.099 -9.151 1.00 15.00 H new ATOM 1078 N PHE A 67 64.556 5.014 -7.766 1.00 15.00 N ATOM 1079 CA PHE A 67 63.304 4.481 -8.384 1.00 15.00 C ATOM 1080 C PHE A 67 62.245 5.584 -8.450 1.00 15.00 C ATOM 1081 O PHE A 67 62.133 6.399 -7.552 1.00 15.00 O ATOM 1082 CB PHE A 67 62.849 3.356 -7.453 1.00 15.00 C ATOM 1083 CG PHE A 67 63.787 2.172 -7.436 1.00 15.00 C ATOM 1084 CD1 PHE A 67 63.881 1.327 -8.569 1.00 15.00 C ATOM 1085 CD2 PHE A 67 64.570 1.906 -6.288 1.00 15.00 C ATOM 1086 CE1 PHE A 67 64.760 0.216 -8.553 1.00 15.00 C ATOM 1087 CE2 PHE A 67 65.450 0.795 -6.271 1.00 15.00 C ATOM 1088 CZ PHE A 67 65.544 -0.049 -7.404 1.00 15.00 C ATOM 0 H PHE A 67 64.423 5.504 -6.881 1.00 15.00 H new ATOM 0 HA PHE A 67 63.462 4.126 -9.402 1.00 15.00 H new ATOM 0 HB2 PHE A 67 62.754 3.749 -6.441 1.00 15.00 H new ATOM 0 HB3 PHE A 67 61.858 3.020 -7.759 1.00 15.00 H new ATOM 0 HD1 PHE A 67 63.283 1.530 -9.445 1.00 15.00 H new ATOM 0 HD2 PHE A 67 64.497 2.550 -5.424 1.00 15.00 H new ATOM 0 HE1 PHE A 67 64.832 -0.428 -9.417 1.00 15.00 H new ATOM 0 HE2 PHE A 67 66.048 0.592 -5.395 1.00 15.00 H new ATOM 0 HZ PHE A 67 66.214 -0.896 -7.392 1.00 15.00 H new ATOM 1098 N ARG A 68 61.470 5.615 -9.507 1.00 15.00 N ATOM 1099 CA ARG A 68 60.418 6.671 -9.646 1.00 15.00 C ATOM 1100 C ARG A 68 59.025 6.048 -9.509 1.00 15.00 C ATOM 1101 O ARG A 68 58.825 4.888 -9.813 1.00 15.00 O ATOM 1102 CB ARG A 68 60.611 7.248 -11.050 1.00 15.00 C ATOM 1103 CG ARG A 68 61.956 7.974 -11.127 1.00 15.00 C ATOM 1104 CD ARG A 68 62.073 8.692 -12.475 1.00 15.00 C ATOM 1105 NE ARG A 68 63.480 9.205 -12.531 1.00 15.00 N ATOM 1106 CZ ARG A 68 63.837 10.142 -13.390 1.00 15.00 C ATOM 1107 NH1 ARG A 68 62.980 10.663 -14.239 1.00 15.00 N ATOM 1108 NH2 ARG A 68 65.074 10.559 -13.399 1.00 15.00 N ATOM 0 H ARG A 68 61.521 4.953 -10.281 1.00 15.00 H new ATOM 0 HA ARG A 68 60.502 7.439 -8.877 1.00 15.00 H new ATOM 0 HB2 ARG A 68 60.575 6.449 -11.790 1.00 15.00 H new ATOM 0 HB3 ARG A 68 59.800 7.938 -11.285 1.00 15.00 H new ATOM 0 HG2 ARG A 68 62.041 8.693 -10.312 1.00 15.00 H new ATOM 0 HG3 ARG A 68 62.773 7.262 -11.010 1.00 15.00 H new ATOM 0 HD2 ARG A 68 61.870 8.011 -13.302 1.00 15.00 H new ATOM 0 HD3 ARG A 68 61.354 9.508 -12.549 1.00 15.00 H new ATOM 0 HE ARG A 68 64.177 8.822 -11.892 1.00 15.00 H new ATOM 0 HH11 ARG A 68 62.011 10.345 -14.245 1.00 15.00 H new ATOM 0 HH12 ARG A 68 63.284 11.386 -14.892 1.00 15.00 H new ATOM 0 HH21 ARG A 68 65.751 10.161 -12.748 1.00 15.00 H new ATOM 0 HH22 ARG A 68 65.364 11.282 -14.057 1.00 15.00 H new ATOM 1122 N GLY A 69 58.062 6.815 -9.053 1.00 15.00 N ATOM 1123 CA GLY A 69 56.677 6.273 -8.862 1.00 15.00 C ATOM 1124 C GLY A 69 56.130 5.699 -10.179 1.00 15.00 C ATOM 1125 O GLY A 69 55.281 4.827 -10.173 1.00 15.00 O ATOM 0 H GLY A 69 58.176 7.797 -8.804 1.00 15.00 H new ATOM 0 HA2 GLY A 69 56.688 5.496 -8.098 1.00 15.00 H new ATOM 0 HA3 GLY A 69 56.018 7.064 -8.503 1.00 15.00 H new ATOM 1129 N SER A 70 56.609 6.181 -11.303 1.00 15.00 N ATOM 1130 CA SER A 70 56.081 5.699 -12.621 1.00 15.00 C ATOM 1131 C SER A 70 56.450 4.228 -12.849 1.00 15.00 C ATOM 1132 O SER A 70 55.678 3.470 -13.410 1.00 15.00 O ATOM 1133 CB SER A 70 56.749 6.584 -13.676 1.00 15.00 C ATOM 1134 OG SER A 70 58.143 6.306 -13.707 1.00 15.00 O ATOM 0 H SER A 70 57.343 6.887 -11.364 1.00 15.00 H new ATOM 0 HA SER A 70 54.994 5.762 -12.664 1.00 15.00 H new ATOM 0 HB2 SER A 70 56.308 6.399 -14.655 1.00 15.00 H new ATOM 0 HB3 SER A 70 56.581 7.636 -13.444 1.00 15.00 H new ATOM 0 HG SER A 70 58.574 6.870 -14.383 1.00 15.00 H new ATOM 1140 N ASP A 71 57.622 3.820 -12.420 1.00 15.00 N ATOM 1141 CA ASP A 71 58.071 2.413 -12.672 1.00 15.00 C ATOM 1142 C ASP A 71 57.706 1.503 -11.490 1.00 15.00 C ATOM 1143 O ASP A 71 57.467 0.322 -11.660 1.00 15.00 O ATOM 1144 CB ASP A 71 59.595 2.495 -12.860 1.00 15.00 C ATOM 1145 CG ASP A 71 60.271 3.021 -11.587 1.00 15.00 C ATOM 1146 OD1 ASP A 71 60.363 2.265 -10.633 1.00 15.00 O ATOM 1147 OD2 ASP A 71 60.684 4.167 -11.590 1.00 15.00 O ATOM 0 H ASP A 71 58.286 4.400 -11.907 1.00 15.00 H new ATOM 0 HA ASP A 71 57.584 1.984 -13.548 1.00 15.00 H new ATOM 0 HB2 ASP A 71 59.990 1.509 -13.106 1.00 15.00 H new ATOM 0 HB3 ASP A 71 59.828 3.151 -13.699 1.00 15.00 H new ATOM 1152 N ILE A 72 57.662 2.046 -10.295 1.00 15.00 N ATOM 1153 CA ILE A 72 57.312 1.216 -9.093 1.00 15.00 C ATOM 1154 C ILE A 72 55.877 0.683 -9.217 1.00 15.00 C ATOM 1155 O ILE A 72 54.978 1.390 -9.636 1.00 15.00 O ATOM 1156 CB ILE A 72 57.440 2.162 -7.886 1.00 15.00 C ATOM 1157 CG1 ILE A 72 58.892 2.634 -7.754 1.00 15.00 C ATOM 1158 CG2 ILE A 72 57.036 1.433 -6.599 1.00 15.00 C ATOM 1159 CD1 ILE A 72 58.956 3.839 -6.814 1.00 15.00 C ATOM 0 H ILE A 72 57.853 3.029 -10.099 1.00 15.00 H new ATOM 0 HA ILE A 72 57.965 0.349 -8.991 1.00 15.00 H new ATOM 0 HB ILE A 72 56.783 3.018 -8.040 1.00 15.00 H new ATOM 0 HG12 ILE A 72 59.514 1.826 -7.369 1.00 15.00 H new ATOM 0 HG13 ILE A 72 59.288 2.902 -8.733 1.00 15.00 H new ATOM 0 HG21 ILE A 72 57.130 2.112 -5.751 1.00 15.00 H new ATOM 0 HG22 ILE A 72 56.003 1.096 -6.681 1.00 15.00 H new ATOM 0 HG23 ILE A 72 57.687 0.572 -6.449 1.00 15.00 H new ATOM 0 HD11 ILE A 72 59.989 4.174 -6.721 1.00 15.00 H new ATOM 0 HD12 ILE A 72 58.348 4.648 -7.218 1.00 15.00 H new ATOM 0 HD13 ILE A 72 58.577 3.555 -5.832 1.00 15.00 H new ATOM 1171 N LYS A 73 55.668 -0.558 -8.856 1.00 15.00 N ATOM 1172 CA LYS A 73 54.292 -1.139 -8.894 1.00 15.00 C ATOM 1173 C LYS A 73 53.672 -1.110 -7.495 1.00 15.00 C ATOM 1174 O LYS A 73 52.500 -0.816 -7.336 1.00 15.00 O ATOM 1175 CB LYS A 73 54.485 -2.581 -9.368 1.00 15.00 C ATOM 1176 CG LYS A 73 53.120 -3.206 -9.667 1.00 15.00 C ATOM 1177 CD LYS A 73 53.309 -4.667 -10.084 1.00 15.00 C ATOM 1178 CE LYS A 73 51.963 -5.250 -10.524 1.00 15.00 C ATOM 1179 NZ LYS A 73 51.801 -4.815 -11.940 1.00 15.00 N ATOM 0 H LYS A 73 56.396 -1.197 -8.535 1.00 15.00 H new ATOM 0 HA LYS A 73 53.623 -0.582 -9.550 1.00 15.00 H new ATOM 0 HB2 LYS A 73 55.110 -2.601 -10.261 1.00 15.00 H new ATOM 0 HB3 LYS A 73 55.003 -3.160 -8.604 1.00 15.00 H new ATOM 0 HG2 LYS A 73 52.480 -3.148 -8.786 1.00 15.00 H new ATOM 0 HG3 LYS A 73 52.620 -2.652 -10.461 1.00 15.00 H new ATOM 0 HD2 LYS A 73 54.030 -4.734 -10.899 1.00 15.00 H new ATOM 0 HD3 LYS A 73 53.713 -5.244 -9.253 1.00 15.00 H new ATOM 0 HE2 LYS A 73 51.957 -6.337 -10.442 1.00 15.00 H new ATOM 0 HE3 LYS A 73 51.149 -4.879 -9.901 1.00 15.00 H new ATOM 0 HZ1 LYS A 73 50.819 -4.511 -12.100 1.00 15.00 H new ATOM 0 HZ2 LYS A 73 52.445 -4.022 -12.135 1.00 15.00 H new ATOM 0 HZ3 LYS A 73 52.026 -5.608 -12.575 1.00 15.00 H new ATOM 1193 N ASP A 74 54.450 -1.413 -6.483 1.00 15.00 N ATOM 1194 CA ASP A 74 53.908 -1.417 -5.088 1.00 15.00 C ATOM 1195 C ASP A 74 55.013 -1.095 -4.075 1.00 15.00 C ATOM 1196 O ASP A 74 56.169 -1.402 -4.290 1.00 15.00 O ATOM 1197 CB ASP A 74 53.384 -2.839 -4.875 1.00 15.00 C ATOM 1198 CG ASP A 74 52.577 -2.898 -3.576 1.00 15.00 C ATOM 1199 OD1 ASP A 74 51.405 -2.559 -3.614 1.00 15.00 O ATOM 1200 OD2 ASP A 74 53.144 -3.280 -2.566 1.00 15.00 O ATOM 0 H ASP A 74 55.437 -1.658 -6.563 1.00 15.00 H new ATOM 0 HA ASP A 74 53.131 -0.665 -4.949 1.00 15.00 H new ATOM 0 HB2 ASP A 74 52.760 -3.137 -5.717 1.00 15.00 H new ATOM 0 HB3 ASP A 74 54.216 -3.542 -4.831 1.00 15.00 H new ATOM 1205 N LEU A 75 54.657 -0.477 -2.974 1.00 15.00 N ATOM 1206 CA LEU A 75 55.665 -0.154 -1.917 1.00 15.00 C ATOM 1207 C LEU A 75 55.131 -0.575 -0.540 1.00 15.00 C ATOM 1208 O LEU A 75 53.986 -0.325 -0.210 1.00 15.00 O ATOM 1209 CB LEU A 75 55.836 1.369 -1.993 1.00 15.00 C ATOM 1210 CG LEU A 75 56.870 1.839 -0.963 1.00 15.00 C ATOM 1211 CD1 LEU A 75 58.265 1.371 -1.380 1.00 15.00 C ATOM 1212 CD2 LEU A 75 56.851 3.366 -0.884 1.00 15.00 C ATOM 0 H LEU A 75 53.704 -0.181 -2.762 1.00 15.00 H new ATOM 0 HA LEU A 75 56.611 -0.676 -2.063 1.00 15.00 H new ATOM 0 HB2 LEU A 75 56.154 1.657 -2.995 1.00 15.00 H new ATOM 0 HB3 LEU A 75 54.880 1.859 -1.809 1.00 15.00 H new ATOM 0 HG LEU A 75 56.624 1.418 0.012 1.00 15.00 H new ATOM 0 HD11 LEU A 75 58.996 1.707 -0.645 1.00 15.00 H new ATOM 0 HD12 LEU A 75 58.282 0.283 -1.437 1.00 15.00 H new ATOM 0 HD13 LEU A 75 58.512 1.789 -2.356 1.00 15.00 H new ATOM 0 HD21 LEU A 75 57.586 3.702 -0.152 1.00 15.00 H new ATOM 0 HD22 LEU A 75 57.095 3.784 -1.861 1.00 15.00 H new ATOM 0 HD23 LEU A 75 55.859 3.702 -0.583 1.00 15.00 H new ATOM 1224 N THR A 76 55.955 -1.209 0.259 1.00 15.00 N ATOM 1225 CA THR A 76 55.521 -1.618 1.633 1.00 15.00 C ATOM 1226 C THR A 76 56.593 -1.238 2.661 1.00 15.00 C ATOM 1227 O THR A 76 57.774 -1.326 2.390 1.00 15.00 O ATOM 1228 CB THR A 76 55.358 -3.136 1.560 1.00 15.00 C ATOM 1229 OG1 THR A 76 54.550 -3.471 0.441 1.00 15.00 O ATOM 1230 CG2 THR A 76 54.694 -3.643 2.841 1.00 15.00 C ATOM 0 H THR A 76 56.913 -1.462 0.018 1.00 15.00 H new ATOM 0 HA THR A 76 54.599 -1.125 1.941 1.00 15.00 H new ATOM 0 HB THR A 76 56.338 -3.601 1.453 1.00 15.00 H new ATOM 0 HG1 THR A 76 54.446 -4.444 0.392 1.00 15.00 H new ATOM 0 HG21 THR A 76 54.579 -4.726 2.787 1.00 15.00 H new ATOM 0 HG22 THR A 76 55.315 -3.387 3.699 1.00 15.00 H new ATOM 0 HG23 THR A 76 53.714 -3.179 2.951 1.00 15.00 H new