USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 523 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 14 THR OG1 : rot 64:sc= 0.367 USER MOD Set 1.2: A 17 SER OG : rot -130:sc= -1.27 USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.31! USER MOD Single : A 21 SER OG : rot 180:sc= -0.199 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -10:sc= 0.0564! USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0174 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0426 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 60 SER OG : rot 67:sc= 0.975 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.79 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.476 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.64) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.397 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 9.840 2.778 -5.387 1.00 0.00 N ATOM 109 CA LEU A 8 9.014 1.645 -5.890 1.00 0.00 C ATOM 110 C LEU A 8 9.742 0.318 -5.658 1.00 0.00 C ATOM 111 O LEU A 8 10.620 -0.048 -6.415 1.00 0.00 O ATOM 112 CB LEU A 8 8.793 1.822 -7.417 1.00 0.00 C ATOM 113 CG LEU A 8 7.512 1.058 -7.858 1.00 0.00 C ATOM 114 CD1 LEU A 8 6.391 2.044 -8.207 1.00 0.00 C ATOM 115 CD2 LEU A 8 7.828 0.229 -9.103 1.00 0.00 C ATOM 0 HA LEU A 8 8.062 1.636 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.697 2.880 -7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.658 1.447 -7.964 1.00 0.00 H new ATOM 0 HG LEU A 8 7.188 0.418 -7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.503 1.491 -8.513 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.157 2.652 -7.334 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.716 2.690 -9.023 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.934 -0.310 -9.418 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.156 0.889 -9.906 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.620 -0.484 -8.874 1.00 0.00 H new ATOM 127 N GLU A 9 9.373 -0.383 -4.614 1.00 0.00 N ATOM 128 CA GLU A 9 10.052 -1.682 -4.346 1.00 0.00 C ATOM 129 C GLU A 9 9.302 -2.502 -3.305 1.00 0.00 C ATOM 130 O GLU A 9 8.418 -2.008 -2.637 1.00 0.00 O ATOM 131 CB GLU A 9 11.459 -1.388 -3.804 1.00 0.00 C ATOM 132 CG GLU A 9 12.463 -2.314 -4.489 1.00 0.00 C ATOM 133 CD GLU A 9 13.797 -2.247 -3.747 1.00 0.00 C ATOM 134 OE1 GLU A 9 13.915 -2.980 -2.777 1.00 0.00 O ATOM 135 OE2 GLU A 9 14.624 -1.469 -4.189 1.00 0.00 O ATOM 0 H GLU A 9 8.646 -0.117 -3.950 1.00 0.00 H new ATOM 0 HA GLU A 9 10.087 -2.251 -5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.722 -0.346 -3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.485 -1.538 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.087 -3.337 -4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.597 -2.018 -5.530 1.00 0.00 H new ATOM 142 N VAL A 10 9.673 -3.751 -3.192 1.00 0.00 N ATOM 143 CA VAL A 10 9.002 -4.629 -2.203 1.00 0.00 C ATOM 144 C VAL A 10 9.698 -4.517 -0.849 1.00 0.00 C ATOM 145 O VAL A 10 10.900 -4.345 -0.790 1.00 0.00 O ATOM 146 CB VAL A 10 9.106 -6.082 -2.699 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.738 -7.037 -1.559 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.130 -6.284 -3.861 1.00 0.00 C ATOM 0 H VAL A 10 10.409 -4.194 -3.742 1.00 0.00 H new ATOM 0 HA VAL A 10 7.959 -4.331 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 10 10.124 -6.285 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.811 -8.067 -1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.423 -6.888 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.718 -6.837 -1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.198 -7.312 -4.218 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.114 -6.084 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.383 -5.601 -4.672 1.00 0.00 H new ATOM 158 N VAL A 11 8.929 -4.615 0.215 1.00 0.00 N ATOM 159 CA VAL A 11 9.537 -4.512 1.577 1.00 0.00 C ATOM 160 C VAL A 11 9.348 -5.796 2.374 1.00 0.00 C ATOM 161 O VAL A 11 9.776 -5.888 3.507 1.00 0.00 O ATOM 162 CB VAL A 11 8.854 -3.364 2.335 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.929 -2.438 2.910 1.00 0.00 C ATOM 164 CG2 VAL A 11 7.974 -2.571 1.370 1.00 0.00 C ATOM 0 H VAL A 11 7.920 -4.760 0.196 1.00 0.00 H new ATOM 0 HA VAL A 11 10.606 -4.332 1.461 1.00 0.00 H new ATOM 0 HB VAL A 11 8.241 -3.768 3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.453 -1.620 3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.567 -3.000 3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.533 -2.034 2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.489 -1.756 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.589 -2.162 0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.215 -3.228 0.945 1.00 0.00 H new ATOM 174 N ALA A 12 8.711 -6.767 1.781 1.00 0.00 N ATOM 175 CA ALA A 12 8.503 -8.037 2.518 1.00 0.00 C ATOM 176 C ALA A 12 7.582 -8.985 1.766 1.00 0.00 C ATOM 177 O ALA A 12 6.837 -8.583 0.889 1.00 0.00 O ATOM 178 CB ALA A 12 7.866 -7.713 3.874 1.00 0.00 C ATOM 0 H ALA A 12 8.332 -6.736 0.834 1.00 0.00 H new ATOM 0 HA ALA A 12 9.471 -8.525 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.706 -8.636 4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.529 -7.059 4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.910 -7.213 3.717 1.00 0.00 H new ATOM 184 N ALA A 13 7.653 -10.232 2.138 1.00 0.00 N ATOM 185 CA ALA A 13 6.806 -11.253 1.485 1.00 0.00 C ATOM 186 C ALA A 13 6.667 -12.469 2.395 1.00 0.00 C ATOM 187 O ALA A 13 7.652 -13.022 2.845 1.00 0.00 O ATOM 188 CB ALA A 13 7.486 -11.684 0.176 1.00 0.00 C ATOM 0 H ALA A 13 8.267 -10.585 2.872 1.00 0.00 H new ATOM 0 HA ALA A 13 5.818 -10.839 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.875 -12.438 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.598 -10.819 -0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.469 -12.101 0.397 1.00 0.00 H new ATOM 194 N THR A 14 5.444 -12.858 2.650 1.00 0.00 N ATOM 195 CA THR A 14 5.208 -14.033 3.530 1.00 0.00 C ATOM 196 C THR A 14 4.133 -14.942 2.916 1.00 0.00 C ATOM 197 O THR A 14 3.381 -14.519 2.060 1.00 0.00 O ATOM 198 CB THR A 14 4.709 -13.502 4.889 1.00 0.00 C ATOM 199 OG1 THR A 14 4.338 -12.161 4.643 1.00 0.00 O ATOM 200 CG2 THR A 14 5.862 -13.396 5.908 1.00 0.00 C ATOM 0 H THR A 14 4.602 -12.411 2.286 1.00 0.00 H new ATOM 0 HA THR A 14 6.126 -14.609 3.647 1.00 0.00 H new ATOM 0 HB THR A 14 3.925 -14.155 5.272 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.594 -12.139 4.006 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.477 -13.019 6.855 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.303 -14.381 6.062 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.622 -12.713 5.528 1.00 0.00 H new ATOM 208 N PRO A 15 4.076 -16.189 3.368 1.00 0.00 N ATOM 209 CA PRO A 15 3.093 -17.131 2.851 1.00 0.00 C ATOM 210 C PRO A 15 1.678 -16.545 2.854 1.00 0.00 C ATOM 211 O PRO A 15 1.046 -16.438 3.885 1.00 0.00 O ATOM 212 CB PRO A 15 3.163 -18.341 3.808 1.00 0.00 C ATOM 213 CG PRO A 15 4.366 -18.099 4.774 1.00 0.00 C ATOM 214 CD PRO A 15 4.964 -16.727 4.417 1.00 0.00 C ATOM 0 HA PRO A 15 3.309 -17.392 1.815 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.234 -18.442 4.369 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.299 -19.266 3.248 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.036 -18.117 5.813 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.113 -18.885 4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.993 -16.070 5.286 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.988 -16.824 4.057 1.00 0.00 H new ATOM 222 N THR A 16 1.212 -16.179 1.685 1.00 0.00 N ATOM 223 CA THR A 16 -0.157 -15.598 1.574 1.00 0.00 C ATOM 224 C THR A 16 -0.196 -14.157 2.071 1.00 0.00 C ATOM 225 O THR A 16 -1.185 -13.712 2.622 1.00 0.00 O ATOM 226 CB THR A 16 -1.126 -16.446 2.411 1.00 0.00 C ATOM 227 OG1 THR A 16 -0.574 -17.748 2.429 1.00 0.00 O ATOM 228 CG2 THR A 16 -2.466 -16.613 1.682 1.00 0.00 C ATOM 0 H THR A 16 1.722 -16.258 0.805 1.00 0.00 H new ATOM 0 HA THR A 16 -0.448 -15.602 0.523 1.00 0.00 H new ATOM 0 HB THR A 16 -1.270 -15.983 3.387 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.151 -18.341 2.954 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.139 -17.217 2.291 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.912 -15.633 1.511 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.300 -17.108 0.725 1.00 0.00 H new ATOM 236 N SER A 17 0.883 -13.455 1.867 1.00 0.00 N ATOM 237 CA SER A 17 0.940 -12.041 2.314 1.00 0.00 C ATOM 238 C SER A 17 2.040 -11.293 1.563 1.00 0.00 C ATOM 239 O SER A 17 3.173 -11.726 1.540 1.00 0.00 O ATOM 240 CB SER A 17 1.257 -12.017 3.813 1.00 0.00 C ATOM 241 OG SER A 17 2.155 -13.097 3.991 1.00 0.00 O ATOM 0 H SER A 17 1.726 -13.801 1.410 1.00 0.00 H new ATOM 0 HA SER A 17 -0.017 -11.559 2.114 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.708 -11.070 4.110 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.356 -12.144 4.413 1.00 0.00 H new ATOM 0 HG SER A 17 1.850 -13.657 4.736 1.00 0.00 H new ATOM 247 N LEU A 18 1.679 -10.186 0.955 1.00 0.00 N ATOM 248 CA LEU A 18 2.692 -9.393 0.194 1.00 0.00 C ATOM 249 C LEU A 18 2.648 -7.910 0.584 1.00 0.00 C ATOM 250 O LEU A 18 1.588 -7.351 0.781 1.00 0.00 O ATOM 251 CB LEU A 18 2.359 -9.534 -1.313 1.00 0.00 C ATOM 252 CG LEU A 18 3.331 -8.698 -2.155 1.00 0.00 C ATOM 253 CD1 LEU A 18 4.768 -9.135 -1.864 1.00 0.00 C ATOM 254 CD2 LEU A 18 3.028 -8.923 -3.640 1.00 0.00 C ATOM 0 H LEU A 18 0.734 -9.802 0.954 1.00 0.00 H new ATOM 0 HA LEU A 18 3.690 -9.767 0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.419 -10.581 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.335 -9.209 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 18 3.215 -7.643 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.458 -8.540 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.986 -8.988 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.886 -10.189 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.715 -8.332 -4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.150 -9.979 -3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.003 -8.618 -3.852 1.00 0.00 H new ATOM 266 N LEU A 19 3.817 -7.311 0.690 1.00 0.00 N ATOM 267 CA LEU A 19 3.893 -5.865 1.065 1.00 0.00 C ATOM 268 C LEU A 19 4.663 -5.088 -0.003 1.00 0.00 C ATOM 269 O LEU A 19 5.776 -5.447 -0.340 1.00 0.00 O ATOM 270 CB LEU A 19 4.658 -5.758 2.403 1.00 0.00 C ATOM 271 CG LEU A 19 3.851 -4.915 3.401 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.496 -5.029 4.786 1.00 0.00 C ATOM 273 CD2 LEU A 19 3.872 -3.451 2.960 1.00 0.00 C ATOM 0 H LEU A 19 4.717 -7.764 0.532 1.00 0.00 H new ATOM 0 HA LEU A 19 2.888 -5.452 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.833 -6.753 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.635 -5.305 2.238 1.00 0.00 H new ATOM 0 HG LEU A 19 2.822 -5.273 3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.929 -4.433 5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.497 -6.072 5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.522 -4.663 4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.300 -2.850 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.902 -3.095 2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.430 -3.364 1.968 1.00 0.00 H new ATOM 285 N ILE A 20 4.056 -4.034 -0.524 1.00 0.00 N ATOM 286 CA ILE A 20 4.756 -3.232 -1.579 1.00 0.00 C ATOM 287 C ILE A 20 4.677 -1.724 -1.332 1.00 0.00 C ATOM 288 O ILE A 20 3.851 -1.243 -0.580 1.00 0.00 O ATOM 289 CB ILE A 20 4.077 -3.512 -2.928 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.574 -3.301 -2.814 1.00 0.00 C ATOM 291 CG2 ILE A 20 4.322 -4.971 -3.323 1.00 0.00 C ATOM 292 CD1 ILE A 20 2.065 -2.643 -4.097 1.00 0.00 C ATOM 0 H ILE A 20 3.125 -3.705 -0.267 1.00 0.00 H new ATOM 0 HA ILE A 20 5.806 -3.525 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 20 4.491 -2.834 -3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.071 -4.255 -2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.346 -2.673 -1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.842 -5.174 -4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.394 -5.149 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.905 -5.629 -2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.989 -2.488 -4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.561 -1.682 -4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.282 -3.289 -4.948 1.00 0.00 H new ATOM 304 N SER A 21 5.557 -1.018 -1.994 1.00 0.00 N ATOM 305 CA SER A 21 5.607 0.458 -1.867 1.00 0.00 C ATOM 306 C SER A 21 5.738 1.052 -3.261 1.00 0.00 C ATOM 307 O SER A 21 6.453 0.508 -4.077 1.00 0.00 O ATOM 308 CB SER A 21 6.851 0.850 -1.047 1.00 0.00 C ATOM 309 OG SER A 21 6.980 -0.186 -0.087 1.00 0.00 O ATOM 0 H SER A 21 6.252 -1.415 -2.626 1.00 0.00 H new ATOM 0 HA SER A 21 4.706 0.825 -1.375 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.737 0.920 -1.678 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.722 1.821 -0.569 1.00 0.00 H new ATOM 0 HG SER A 21 7.759 -0.011 0.481 1.00 0.00 H new ATOM 315 N TRP A 22 5.048 2.152 -3.525 1.00 0.00 N ATOM 316 CA TRP A 22 5.155 2.761 -4.898 1.00 0.00 C ATOM 317 C TRP A 22 5.699 4.179 -4.891 1.00 0.00 C ATOM 318 O TRP A 22 5.928 4.771 -3.861 1.00 0.00 O ATOM 319 CB TRP A 22 3.778 2.775 -5.560 1.00 0.00 C ATOM 320 CG TRP A 22 2.734 3.331 -4.598 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.396 4.604 -4.537 1.00 0.00 C ATOM 322 CD2 TRP A 22 1.985 2.603 -3.811 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.368 4.615 -3.671 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.046 3.377 -3.160 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.039 1.247 -3.576 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.158 2.797 -2.281 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.150 0.664 -2.694 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.209 1.443 -2.048 1.00 0.00 C ATOM 0 H TRP A 22 4.436 2.638 -2.870 1.00 0.00 H new ATOM 0 HA TRP A 22 5.860 2.143 -5.453 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.808 3.382 -6.465 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.502 1.765 -5.863 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.840 5.439 -5.059 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.869 5.467 -3.414 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.776 0.640 -4.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.577 3.405 -1.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.190 -0.399 -2.510 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.487 0.988 -1.359 1.00 0.00 H new ATOM 415 N VAL A 29 -2.662 14.051 -5.051 1.00 0.00 N ATOM 416 CA VAL A 29 -3.478 12.951 -5.642 1.00 0.00 C ATOM 417 C VAL A 29 -4.707 12.669 -4.780 1.00 0.00 C ATOM 418 O VAL A 29 -4.607 12.536 -3.577 1.00 0.00 O ATOM 419 CB VAL A 29 -2.614 11.677 -5.697 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.368 10.597 -6.480 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.294 11.987 -6.409 1.00 0.00 C ATOM 0 HA VAL A 29 -3.805 13.247 -6.639 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.408 11.328 -4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.764 9.691 -6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.313 10.379 -5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.565 10.952 -7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.682 11.086 -6.449 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.499 12.331 -7.423 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.760 12.765 -5.863 1.00 0.00 H new ATOM 431 N ARG A 30 -5.849 12.583 -5.413 1.00 0.00 N ATOM 432 CA ARG A 30 -7.090 12.312 -4.641 1.00 0.00 C ATOM 433 C ARG A 30 -7.223 10.831 -4.318 1.00 0.00 C ATOM 434 O ARG A 30 -7.607 10.469 -3.224 1.00 0.00 O ATOM 435 CB ARG A 30 -8.306 12.722 -5.488 1.00 0.00 C ATOM 436 CG ARG A 30 -8.251 14.218 -5.773 1.00 0.00 C ATOM 437 CD ARG A 30 -9.635 14.828 -5.521 1.00 0.00 C ATOM 438 NE ARG A 30 -10.668 14.026 -6.248 1.00 0.00 N ATOM 439 CZ ARG A 30 -11.916 14.080 -5.856 1.00 0.00 C ATOM 440 NH1 ARG A 30 -12.182 13.953 -4.585 1.00 0.00 N ATOM 441 NH2 ARG A 30 -12.854 14.258 -6.747 1.00 0.00 N ATOM 0 H ARG A 30 -5.972 12.688 -6.420 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.043 12.880 -3.712 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.315 12.164 -6.424 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.228 12.476 -4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.508 14.695 -5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.945 14.393 -6.804 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.852 14.839 -4.453 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.656 15.863 -5.861 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.402 13.443 -7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.424 13.814 -3.917 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.148 13.992 -4.260 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.610 14.353 -7.733 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.831 14.302 -6.457 1.00 0.00 H new ATOM 455 N TYR A 31 -6.908 9.992 -5.280 1.00 0.00 N ATOM 456 CA TYR A 31 -7.018 8.525 -5.030 1.00 0.00 C ATOM 457 C TYR A 31 -5.911 7.728 -5.703 1.00 0.00 C ATOM 458 O TYR A 31 -5.107 8.249 -6.457 1.00 0.00 O ATOM 459 CB TYR A 31 -8.347 8.025 -5.614 1.00 0.00 C ATOM 460 CG TYR A 31 -9.519 8.631 -4.853 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.957 8.062 -3.674 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.175 9.736 -5.347 1.00 0.00 C ATOM 463 CE1 TYR A 31 -11.036 8.592 -3.000 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.255 10.268 -4.673 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.694 9.700 -3.495 1.00 0.00 C ATOM 466 OH TYR A 31 -12.776 10.230 -2.823 1.00 0.00 O ATOM 0 H TYR A 31 -6.585 10.258 -6.210 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.948 8.380 -3.952 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.412 8.292 -6.669 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.391 6.937 -5.557 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.450 7.195 -3.277 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.842 10.190 -6.269 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.369 8.138 -2.079 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.760 11.136 -5.071 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.116 11.008 -3.313 1.00 0.00 H new ATOM 476 N TYR A 32 -5.926 6.458 -5.417 1.00 0.00 N ATOM 477 CA TYR A 32 -4.922 5.533 -5.988 1.00 0.00 C ATOM 478 C TYR A 32 -5.574 4.194 -6.297 1.00 0.00 C ATOM 479 O TYR A 32 -6.394 3.730 -5.535 1.00 0.00 O ATOM 480 CB TYR A 32 -3.831 5.283 -4.931 1.00 0.00 C ATOM 481 CG TYR A 32 -2.494 5.889 -5.376 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.264 7.245 -5.287 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.476 5.066 -5.829 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.031 7.771 -5.642 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.250 5.596 -6.184 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.022 6.952 -6.092 1.00 0.00 C ATOM 487 OH TYR A 32 1.195 7.484 -6.448 1.00 0.00 O ATOM 0 H TYR A 32 -6.607 6.017 -4.799 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.506 5.969 -6.896 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.134 5.718 -3.979 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.714 4.212 -4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.048 7.901 -4.939 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.642 4.002 -5.905 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.861 8.835 -5.564 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.535 4.943 -6.536 1.00 0.00 H new ATOM 0 HH TYR A 32 1.793 6.765 -6.742 1.00 0.00 H new ATOM 497 N ARG A 33 -5.206 3.593 -7.411 1.00 0.00 N ATOM 498 CA ARG A 33 -5.822 2.257 -7.765 1.00 0.00 C ATOM 499 C ARG A 33 -4.736 1.220 -7.951 1.00 0.00 C ATOM 500 O ARG A 33 -4.023 1.238 -8.929 1.00 0.00 O ATOM 501 CB ARG A 33 -6.630 2.367 -9.079 1.00 0.00 C ATOM 502 CG ARG A 33 -7.502 3.633 -9.066 1.00 0.00 C ATOM 503 CD ARG A 33 -8.033 3.888 -10.478 1.00 0.00 C ATOM 504 NE ARG A 33 -8.697 2.655 -10.980 1.00 0.00 N ATOM 505 CZ ARG A 33 -8.336 2.163 -12.131 1.00 0.00 C ATOM 506 NH1 ARG A 33 -8.755 2.744 -13.222 1.00 0.00 N ATOM 507 NH2 ARG A 33 -7.560 1.115 -12.154 1.00 0.00 N ATOM 0 H ARG A 33 -4.524 3.955 -8.078 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.485 1.961 -6.952 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.950 2.394 -9.931 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.259 1.485 -9.202 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.331 3.512 -8.369 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.919 4.488 -8.723 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.739 4.718 -10.470 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.216 4.171 -11.141 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.426 2.200 -10.430 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.354 3.568 -13.163 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.484 2.374 -14.133 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.246 0.694 -11.280 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.268 0.716 -13.046 1.00 0.00 H new ATOM 521 N ILE A 34 -4.638 0.316 -7.007 1.00 0.00 N ATOM 522 CA ILE A 34 -3.598 -0.737 -7.106 1.00 0.00 C ATOM 523 C ILE A 34 -4.169 -2.063 -7.598 1.00 0.00 C ATOM 524 O ILE A 34 -4.926 -2.714 -6.902 1.00 0.00 O ATOM 525 CB ILE A 34 -3.018 -0.946 -5.708 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.300 0.322 -5.257 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.997 -2.096 -5.763 1.00 0.00 C ATOM 528 CD1 ILE A 34 -2.673 0.617 -3.802 1.00 0.00 C ATOM 0 H ILE A 34 -5.232 0.267 -6.180 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.842 -0.415 -7.822 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.822 -1.181 -5.010 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.221 0.197 -5.351 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.581 1.160 -5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.575 -2.256 -4.771 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.493 -3.007 -6.097 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.199 -1.841 -6.460 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.163 1.522 -3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.751 0.758 -3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.371 -0.220 -3.172 1.00 0.00 H new ATOM 540 N THR A 35 -3.786 -2.435 -8.798 1.00 0.00 N ATOM 541 CA THR A 35 -4.279 -3.715 -9.378 1.00 0.00 C ATOM 542 C THR A 35 -3.116 -4.644 -9.614 1.00 0.00 C ATOM 543 O THR A 35 -2.076 -4.218 -10.081 1.00 0.00 O ATOM 544 CB THR A 35 -4.950 -3.429 -10.724 1.00 0.00 C ATOM 545 OG1 THR A 35 -3.889 -3.253 -11.640 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.668 -2.080 -10.703 1.00 0.00 C ATOM 0 H THR A 35 -3.153 -1.904 -9.396 1.00 0.00 H new ATOM 0 HA THR A 35 -4.988 -4.174 -8.689 1.00 0.00 H new ATOM 0 HB THR A 35 -5.651 -4.229 -10.962 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.041 -3.194 -11.151 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.136 -1.902 -11.671 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.433 -2.087 -9.926 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.948 -1.288 -10.497 1.00 0.00 H new ATOM 554 N TYR A 36 -3.291 -5.900 -9.286 1.00 0.00 N ATOM 555 CA TYR A 36 -2.179 -6.850 -9.499 1.00 0.00 C ATOM 556 C TYR A 36 -2.691 -8.182 -9.984 1.00 0.00 C ATOM 557 O TYR A 36 -3.709 -8.684 -9.512 1.00 0.00 O ATOM 558 CB TYR A 36 -1.428 -7.040 -8.172 1.00 0.00 C ATOM 559 CG TYR A 36 -2.323 -7.754 -7.166 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.248 -7.046 -6.431 1.00 0.00 C ATOM 561 CD2 TYR A 36 -2.203 -9.113 -6.960 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.039 -7.683 -5.502 1.00 0.00 C ATOM 563 CE2 TYR A 36 -2.996 -9.753 -6.031 1.00 0.00 C ATOM 564 CZ TYR A 36 -3.921 -9.042 -5.295 1.00 0.00 C ATOM 565 OH TYR A 36 -4.714 -9.681 -4.364 1.00 0.00 O ATOM 0 H TYR A 36 -4.143 -6.295 -8.888 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.510 -6.446 -10.259 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.519 -7.619 -8.338 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.121 -6.072 -7.776 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.354 -5.982 -6.585 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.482 -9.680 -7.531 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.758 -7.115 -4.931 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.892 -10.817 -5.879 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.498 -10.637 -4.351 1.00 0.00 H new ATOM 575 N GLY A 37 -1.980 -8.729 -10.937 1.00 0.00 N ATOM 576 CA GLY A 37 -2.381 -10.041 -11.498 1.00 0.00 C ATOM 577 C GLY A 37 -1.253 -10.605 -12.371 1.00 0.00 C ATOM 578 O GLY A 37 -0.646 -9.890 -13.142 1.00 0.00 O ATOM 0 H GLY A 37 -1.141 -8.319 -11.346 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.609 -10.737 -10.690 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.290 -9.930 -12.090 1.00 0.00 H new ATOM 582 N GLU A 38 -0.992 -11.878 -12.225 1.00 0.00 N ATOM 583 CA GLU A 38 0.079 -12.495 -13.028 1.00 0.00 C ATOM 584 C GLU A 38 -0.409 -12.880 -14.419 1.00 0.00 C ATOM 585 O GLU A 38 -1.591 -12.854 -14.699 1.00 0.00 O ATOM 586 CB GLU A 38 0.573 -13.758 -12.302 1.00 0.00 C ATOM 587 CG GLU A 38 -0.597 -14.692 -11.969 1.00 0.00 C ATOM 588 CD GLU A 38 -1.015 -15.453 -13.220 1.00 0.00 C ATOM 589 OE1 GLU A 38 -0.333 -16.420 -13.516 1.00 0.00 O ATOM 590 OE2 GLU A 38 -1.996 -15.030 -13.809 1.00 0.00 O ATOM 0 H GLU A 38 -1.477 -12.506 -11.585 1.00 0.00 H new ATOM 0 HA GLU A 38 0.884 -11.769 -13.143 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.295 -14.283 -12.927 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.091 -13.476 -11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.305 -15.392 -11.186 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.438 -14.115 -11.584 1.00 0.00 H new ATOM 597 N THR A 39 0.524 -13.236 -15.269 1.00 0.00 N ATOM 598 CA THR A 39 0.151 -13.626 -16.655 1.00 0.00 C ATOM 599 C THR A 39 -0.565 -14.970 -16.690 1.00 0.00 C ATOM 600 O THR A 39 -0.487 -15.741 -15.759 1.00 0.00 O ATOM 601 CB THR A 39 1.434 -13.737 -17.484 1.00 0.00 C ATOM 602 OG1 THR A 39 1.957 -12.427 -17.540 1.00 0.00 O ATOM 603 CG2 THR A 39 1.109 -14.088 -18.943 1.00 0.00 C ATOM 0 H THR A 39 1.522 -13.272 -15.060 1.00 0.00 H new ATOM 0 HA THR A 39 -0.524 -12.870 -17.056 1.00 0.00 H new ATOM 0 HB THR A 39 2.094 -14.487 -17.048 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.788 -12.428 -18.060 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.034 -14.162 -19.514 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.583 -15.042 -18.979 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.479 -13.310 -19.373 1.00 0.00 H new ATOM 664 N VAL A 45 -7.178 -11.191 -11.030 1.00 0.00 N ATOM 665 CA VAL A 45 -6.745 -11.486 -9.646 1.00 0.00 C ATOM 666 C VAL A 45 -7.426 -10.536 -8.669 1.00 0.00 C ATOM 667 O VAL A 45 -8.406 -10.901 -8.055 1.00 0.00 O ATOM 668 CB VAL A 45 -5.206 -11.365 -9.569 1.00 0.00 C ATOM 669 CG1 VAL A 45 -4.763 -11.107 -8.115 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.593 -12.695 -10.049 1.00 0.00 C ATOM 0 HA VAL A 45 -7.033 -12.501 -9.371 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.873 -10.535 -10.193 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.677 -11.024 -8.075 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.211 -10.180 -7.757 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.087 -11.934 -7.484 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.506 -12.632 -10.003 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.937 -13.507 -9.408 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.902 -12.888 -11.076 1.00 0.00 H new ATOM 680 N GLN A 46 -6.925 -9.339 -8.529 1.00 0.00 N ATOM 681 CA GLN A 46 -7.603 -8.415 -7.571 1.00 0.00 C ATOM 682 C GLN A 46 -7.205 -6.962 -7.781 1.00 0.00 C ATOM 683 O GLN A 46 -6.315 -6.654 -8.549 1.00 0.00 O ATOM 684 CB GLN A 46 -7.229 -8.826 -6.140 1.00 0.00 C ATOM 685 CG GLN A 46 -8.496 -9.288 -5.408 1.00 0.00 C ATOM 686 CD GLN A 46 -8.159 -9.582 -3.944 1.00 0.00 C ATOM 687 OE1 GLN A 46 -8.189 -8.707 -3.101 1.00 0.00 O ATOM 688 NE2 GLN A 46 -7.836 -10.801 -3.601 1.00 0.00 N ATOM 0 H GLN A 46 -6.108 -8.969 -9.014 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.677 -8.492 -7.742 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -6.491 -9.628 -6.159 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.774 -7.987 -5.613 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.265 -8.518 -5.468 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.900 -10.180 -5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.809 -11.539 -4.305 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.611 -11.015 -2.629 1.00 0.00 H new ATOM 697 N GLU A 47 -7.892 -6.094 -7.081 1.00 0.00 N ATOM 698 CA GLU A 47 -7.600 -4.646 -7.198 1.00 0.00 C ATOM 699 C GLU A 47 -8.361 -3.868 -6.126 1.00 0.00 C ATOM 700 O GLU A 47 -9.482 -4.203 -5.800 1.00 0.00 O ATOM 701 CB GLU A 47 -8.061 -4.176 -8.608 1.00 0.00 C ATOM 702 CG GLU A 47 -8.659 -2.753 -8.541 1.00 0.00 C ATOM 703 CD GLU A 47 -8.820 -2.208 -9.965 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.418 -2.924 -10.753 1.00 0.00 O ATOM 705 OE2 GLU A 47 -8.339 -1.108 -10.182 1.00 0.00 O ATOM 0 H GLU A 47 -8.643 -6.334 -6.434 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.533 -4.468 -7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.215 -4.188 -9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.803 -4.870 -9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.624 -2.774 -8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.009 -2.099 -7.960 1.00 0.00 H new ATOM 712 N PHE A 48 -7.742 -2.843 -5.599 1.00 0.00 N ATOM 713 CA PHE A 48 -8.431 -2.045 -4.550 1.00 0.00 C ATOM 714 C PHE A 48 -8.020 -0.577 -4.627 1.00 0.00 C ATOM 715 O PHE A 48 -6.874 -0.264 -4.882 1.00 0.00 O ATOM 716 CB PHE A 48 -8.057 -2.606 -3.164 1.00 0.00 C ATOM 717 CG PHE A 48 -6.541 -2.837 -3.070 1.00 0.00 C ATOM 718 CD1 PHE A 48 -5.949 -3.912 -3.714 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.748 -1.998 -2.298 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.591 -4.143 -3.587 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.391 -2.236 -2.176 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.817 -3.307 -2.818 1.00 0.00 C ATOM 0 H PHE A 48 -6.803 -2.530 -5.847 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.507 -2.113 -4.708 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.374 -1.912 -2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.585 -3.543 -2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.552 -4.573 -4.319 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.193 -1.155 -1.790 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.138 -4.982 -4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.781 -1.578 -1.575 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.758 -3.492 -2.718 1.00 0.00 H new ATOM 732 N THR A 49 -8.972 0.300 -4.404 1.00 0.00 N ATOM 733 CA THR A 49 -8.658 1.757 -4.461 1.00 0.00 C ATOM 734 C THR A 49 -8.442 2.343 -3.072 1.00 0.00 C ATOM 735 O THR A 49 -8.913 1.812 -2.088 1.00 0.00 O ATOM 736 CB THR A 49 -9.837 2.480 -5.107 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.983 2.000 -4.436 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.024 2.034 -6.566 1.00 0.00 C ATOM 0 H THR A 49 -9.942 0.069 -4.188 1.00 0.00 H new ATOM 0 HA THR A 49 -7.741 1.886 -5.036 1.00 0.00 H new ATOM 0 HB THR A 49 -9.680 3.557 -5.057 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.782 2.430 -4.805 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.870 2.564 -7.003 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.122 2.260 -7.134 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.213 0.961 -6.597 1.00 0.00 H new ATOM 746 N VAL A 50 -7.725 3.440 -3.023 1.00 0.00 N ATOM 747 CA VAL A 50 -7.462 4.085 -1.713 1.00 0.00 C ATOM 748 C VAL A 50 -7.304 5.614 -1.889 1.00 0.00 C ATOM 749 O VAL A 50 -7.006 6.078 -2.971 1.00 0.00 O ATOM 750 CB VAL A 50 -6.145 3.515 -1.151 1.00 0.00 C ATOM 751 CG1 VAL A 50 -6.457 2.371 -0.187 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.295 2.981 -2.303 1.00 0.00 C ATOM 0 H VAL A 50 -7.316 3.909 -3.831 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.295 3.889 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.603 4.301 -0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.526 1.967 0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.071 2.743 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.996 1.586 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.362 2.577 -1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.841 2.194 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.075 3.791 -2.999 1.00 0.00 H new ATOM 762 N PRO A 51 -7.515 6.379 -0.813 1.00 0.00 N ATOM 763 CA PRO A 51 -7.389 7.841 -0.879 1.00 0.00 C ATOM 764 C PRO A 51 -5.953 8.287 -1.191 1.00 0.00 C ATOM 765 O PRO A 51 -5.624 9.444 -1.040 1.00 0.00 O ATOM 766 CB PRO A 51 -7.759 8.334 0.536 1.00 0.00 C ATOM 767 CG PRO A 51 -7.948 7.076 1.434 1.00 0.00 C ATOM 768 CD PRO A 51 -7.918 5.851 0.507 1.00 0.00 C ATOM 0 HA PRO A 51 -8.024 8.242 -1.669 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.974 8.976 0.936 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.673 8.927 0.509 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.157 7.013 2.181 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.893 7.127 1.975 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.211 5.103 0.865 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.895 5.369 0.458 1.00 0.00 H new ATOM 776 N GLY A 52 -5.127 7.367 -1.619 1.00 0.00 N ATOM 777 CA GLY A 52 -3.716 7.753 -1.936 1.00 0.00 C ATOM 778 C GLY A 52 -3.055 8.373 -0.701 1.00 0.00 C ATOM 779 O GLY A 52 -2.158 9.184 -0.813 1.00 0.00 O ATOM 0 H GLY A 52 -5.360 6.384 -1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.154 6.877 -2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.701 8.463 -2.762 1.00 0.00 H new ATOM 783 N SER A 53 -3.517 7.975 0.453 1.00 0.00 N ATOM 784 CA SER A 53 -2.935 8.523 1.701 1.00 0.00 C ATOM 785 C SER A 53 -1.741 7.695 2.152 1.00 0.00 C ATOM 786 O SER A 53 -0.815 8.212 2.745 1.00 0.00 O ATOM 787 CB SER A 53 -4.010 8.473 2.797 1.00 0.00 C ATOM 788 OG SER A 53 -4.271 9.837 3.088 1.00 0.00 O ATOM 0 H SER A 53 -4.269 7.297 0.581 1.00 0.00 H new ATOM 0 HA SER A 53 -2.603 9.545 1.520 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.908 7.960 2.452 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.656 7.938 3.678 1.00 0.00 H new ATOM 0 HG SER A 53 -4.956 9.897 3.786 1.00 0.00 H new ATOM 794 N LYS A 54 -1.781 6.421 1.861 1.00 0.00 N ATOM 795 CA LYS A 54 -0.653 5.545 2.265 1.00 0.00 C ATOM 796 C LYS A 54 0.339 5.369 1.120 1.00 0.00 C ATOM 797 O LYS A 54 -0.048 5.147 -0.010 1.00 0.00 O ATOM 798 CB LYS A 54 -1.216 4.160 2.641 1.00 0.00 C ATOM 799 CG LYS A 54 -2.484 4.337 3.484 1.00 0.00 C ATOM 800 CD LYS A 54 -2.783 3.027 4.225 1.00 0.00 C ATOM 801 CE LYS A 54 -4.037 3.209 5.083 1.00 0.00 C ATOM 802 NZ LYS A 54 -4.960 2.051 4.915 1.00 0.00 N ATOM 0 H LYS A 54 -2.541 5.956 1.365 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.139 6.004 3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.442 3.590 1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.472 3.592 3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.350 5.150 4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.325 4.608 2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.931 2.217 3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.936 2.748 4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.756 3.308 6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.546 4.131 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.805 2.192 5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.243 1.974 3.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.477 1.177 5.206 1.00 0.00 H new ATOM 816 N SER A 55 1.604 5.474 1.431 1.00 0.00 N ATOM 817 CA SER A 55 2.632 5.314 0.374 1.00 0.00 C ATOM 818 C SER A 55 2.862 3.837 0.087 1.00 0.00 C ATOM 819 O SER A 55 3.444 3.471 -0.922 1.00 0.00 O ATOM 820 CB SER A 55 3.943 5.937 0.874 1.00 0.00 C ATOM 821 OG SER A 55 3.580 7.259 1.245 1.00 0.00 O ATOM 0 H SER A 55 1.964 5.663 2.367 1.00 0.00 H new ATOM 0 HA SER A 55 2.297 5.805 -0.540 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.350 5.383 1.720 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.706 5.937 0.096 1.00 0.00 H new ATOM 0 HG SER A 55 4.369 7.733 1.582 1.00 0.00 H new ATOM 827 N THR A 56 2.396 3.018 0.990 1.00 0.00 N ATOM 828 CA THR A 56 2.560 1.554 0.820 1.00 0.00 C ATOM 829 C THR A 56 1.285 0.831 1.239 1.00 0.00 C ATOM 830 O THR A 56 0.320 1.456 1.634 1.00 0.00 O ATOM 831 CB THR A 56 3.717 1.078 1.713 1.00 0.00 C ATOM 832 OG1 THR A 56 3.175 0.993 3.015 1.00 0.00 O ATOM 833 CG2 THR A 56 4.810 2.153 1.822 1.00 0.00 C ATOM 0 H THR A 56 1.908 3.304 1.839 1.00 0.00 H new ATOM 0 HA THR A 56 2.770 1.335 -0.227 1.00 0.00 H new ATOM 0 HB THR A 56 4.131 0.153 1.312 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.868 0.690 3.639 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.616 1.789 2.460 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.204 2.374 0.830 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.387 3.060 2.254 1.00 0.00 H new ATOM 841 N ALA A 57 1.297 -0.471 1.146 1.00 0.00 N ATOM 842 CA ALA A 57 0.085 -1.233 1.540 1.00 0.00 C ATOM 843 C ALA A 57 0.364 -2.724 1.597 1.00 0.00 C ATOM 844 O ALA A 57 1.289 -3.210 0.976 1.00 0.00 O ATOM 845 CB ALA A 57 -1.006 -0.986 0.493 1.00 0.00 C ATOM 0 H ALA A 57 2.084 -1.031 0.818 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.228 -0.899 2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.905 -1.539 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.234 0.079 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.656 -1.322 -0.483 1.00 0.00 H new ATOM 851 N THR A 58 -0.455 -3.421 2.343 1.00 0.00 N ATOM 852 CA THR A 58 -0.280 -4.889 2.474 1.00 0.00 C ATOM 853 C THR A 58 -1.460 -5.628 1.853 1.00 0.00 C ATOM 854 O THR A 58 -2.599 -5.246 2.040 1.00 0.00 O ATOM 855 CB THR A 58 -0.220 -5.233 3.966 1.00 0.00 C ATOM 856 OG1 THR A 58 0.851 -4.472 4.482 1.00 0.00 O ATOM 857 CG2 THR A 58 0.208 -6.692 4.171 1.00 0.00 C ATOM 0 H THR A 58 -1.238 -3.030 2.867 1.00 0.00 H new ATOM 0 HA THR A 58 0.634 -5.189 1.962 1.00 0.00 H new ATOM 0 HB THR A 58 -1.191 -5.051 4.427 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.943 -4.646 5.442 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.244 -6.914 5.238 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.510 -7.353 3.686 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.195 -6.846 3.735 1.00 0.00 H new ATOM 865 N ILE A 59 -1.159 -6.674 1.122 1.00 0.00 N ATOM 866 CA ILE A 59 -2.240 -7.466 0.470 1.00 0.00 C ATOM 867 C ILE A 59 -2.127 -8.938 0.851 1.00 0.00 C ATOM 868 O ILE A 59 -1.061 -9.415 1.192 1.00 0.00 O ATOM 869 CB ILE A 59 -2.096 -7.341 -1.051 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.025 -6.307 -1.396 1.00 0.00 C ATOM 871 CG2 ILE A 59 -3.441 -6.866 -1.627 1.00 0.00 C ATOM 872 CD1 ILE A 59 -0.919 -6.179 -2.917 1.00 0.00 C ATOM 0 H ILE A 59 -0.211 -7.011 0.951 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.206 -7.085 0.800 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.810 -8.306 -1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.278 -5.343 -0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.065 -6.607 -0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.360 -6.771 -2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.217 -7.591 -1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.700 -5.899 -1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.156 -5.442 -3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.647 -7.144 -3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.879 -5.860 -3.323 1.00 0.00 H new ATOM 884 N SER A 60 -3.229 -9.634 0.786 1.00 0.00 N ATOM 885 CA SER A 60 -3.200 -11.074 1.141 1.00 0.00 C ATOM 886 C SER A 60 -4.218 -11.861 0.315 1.00 0.00 C ATOM 887 O SER A 60 -5.384 -11.519 0.273 1.00 0.00 O ATOM 888 CB SER A 60 -3.567 -11.207 2.626 1.00 0.00 C ATOM 889 OG SER A 60 -3.250 -12.554 2.945 1.00 0.00 O ATOM 0 H SER A 60 -4.139 -9.269 0.505 1.00 0.00 H new ATOM 0 HA SER A 60 -2.205 -11.472 0.939 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.999 -10.508 3.240 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.623 -10.996 2.796 1.00 0.00 H new ATOM 0 HG SER A 60 -2.280 -12.684 2.890 1.00 0.00 H new ATOM 895 N GLY A 61 -3.756 -12.904 -0.328 1.00 0.00 N ATOM 896 CA GLY A 61 -4.689 -13.725 -1.158 1.00 0.00 C ATOM 897 C GLY A 61 -3.908 -14.581 -2.165 1.00 0.00 C ATOM 898 O GLY A 61 -4.303 -15.686 -2.480 1.00 0.00 O ATOM 0 H GLY A 61 -2.786 -13.219 -0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.287 -14.368 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.382 -13.072 -1.688 1.00 0.00 H new ATOM 902 N LEU A 62 -2.815 -14.050 -2.650 1.00 0.00 N ATOM 903 CA LEU A 62 -2.002 -14.817 -3.634 1.00 0.00 C ATOM 904 C LEU A 62 -1.346 -16.027 -2.970 1.00 0.00 C ATOM 905 O LEU A 62 -1.797 -16.491 -1.942 1.00 0.00 O ATOM 906 CB LEU A 62 -0.906 -13.885 -4.185 1.00 0.00 C ATOM 907 CG LEU A 62 -0.068 -13.347 -3.020 1.00 0.00 C ATOM 908 CD1 LEU A 62 1.392 -13.757 -3.218 1.00 0.00 C ATOM 909 CD2 LEU A 62 -0.160 -11.822 -2.992 1.00 0.00 C ATOM 0 H LEU A 62 -2.455 -13.127 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.648 -15.174 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.271 -14.426 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.357 -13.059 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.443 -13.755 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.992 -13.376 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.464 -14.844 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.762 -13.343 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.435 -11.437 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.219 -11.417 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.200 -11.523 -2.861 1.00 0.00 H new ATOM 921 N LYS A 63 -0.292 -16.521 -3.573 1.00 0.00 N ATOM 922 CA LYS A 63 0.398 -17.699 -2.985 1.00 0.00 C ATOM 923 C LYS A 63 1.673 -18.092 -3.767 1.00 0.00 C ATOM 924 O LYS A 63 2.694 -18.381 -3.175 1.00 0.00 O ATOM 925 CB LYS A 63 -0.578 -18.906 -2.963 1.00 0.00 C ATOM 926 CG LYS A 63 -0.729 -19.427 -1.529 1.00 0.00 C ATOM 927 CD LYS A 63 -1.461 -20.775 -1.563 1.00 0.00 C ATOM 928 CE LYS A 63 -2.082 -21.049 -0.191 1.00 0.00 C ATOM 929 NZ LYS A 63 -2.651 -22.427 -0.141 1.00 0.00 N ATOM 0 H LYS A 63 0.113 -16.161 -4.437 1.00 0.00 H new ATOM 0 HA LYS A 63 0.704 -17.427 -1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.550 -18.606 -3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.204 -19.699 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.251 -19.542 -1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.286 -18.711 -0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.236 -20.762 -2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.766 -21.573 -1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.327 -20.933 0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.865 -20.318 0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.068 -22.596 0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.386 -22.526 -0.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.896 -23.121 -0.314 1.00 0.00 H new ATOM 943 N PRO A 64 1.592 -18.093 -5.095 1.00 0.00 N ATOM 944 CA PRO A 64 2.736 -18.452 -5.929 1.00 0.00 C ATOM 945 C PRO A 64 3.735 -17.305 -6.058 1.00 0.00 C ATOM 946 O PRO A 64 3.583 -16.266 -5.446 1.00 0.00 O ATOM 947 CB PRO A 64 2.120 -18.753 -7.315 1.00 0.00 C ATOM 948 CG PRO A 64 0.609 -18.363 -7.239 1.00 0.00 C ATOM 949 CD PRO A 64 0.372 -17.769 -5.841 1.00 0.00 C ATOM 0 HA PRO A 64 3.286 -19.290 -5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.626 -18.183 -8.094 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.234 -19.807 -7.567 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.357 -17.639 -8.014 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.024 -19.236 -7.400 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.210 -16.692 -5.889 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.509 -18.203 -5.369 1.00 0.00 H new ATOM 957 N GLY A 65 4.734 -17.528 -6.863 1.00 0.00 N ATOM 958 CA GLY A 65 5.776 -16.486 -7.072 1.00 0.00 C ATOM 959 C GLY A 65 6.133 -16.428 -8.560 1.00 0.00 C ATOM 960 O GLY A 65 7.130 -16.978 -8.984 1.00 0.00 O ATOM 0 H GLY A 65 4.875 -18.391 -7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.411 -15.516 -6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.662 -16.716 -6.481 1.00 0.00 H new ATOM 964 N VAL A 66 5.300 -15.759 -9.310 1.00 0.00 N ATOM 965 CA VAL A 66 5.540 -15.636 -10.781 1.00 0.00 C ATOM 966 C VAL A 66 5.620 -14.162 -11.211 1.00 0.00 C ATOM 967 O VAL A 66 5.614 -13.265 -10.382 1.00 0.00 O ATOM 968 CB VAL A 66 4.331 -16.314 -11.475 1.00 0.00 C ATOM 969 CG1 VAL A 66 3.056 -15.519 -11.159 1.00 0.00 C ATOM 970 CG2 VAL A 66 4.539 -16.366 -12.994 1.00 0.00 C ATOM 0 H VAL A 66 4.461 -15.290 -8.969 1.00 0.00 H new ATOM 0 HA VAL A 66 6.486 -16.104 -11.054 1.00 0.00 H new ATOM 0 HB VAL A 66 4.237 -17.334 -11.102 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.203 -15.992 -11.645 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.896 -15.502 -10.081 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.163 -14.498 -11.526 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.680 -16.845 -13.463 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.645 -15.353 -13.382 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.440 -16.937 -13.219 1.00 0.00 H new ATOM 980 N ASP A 67 5.707 -13.937 -12.503 1.00 0.00 N ATOM 981 CA ASP A 67 5.786 -12.543 -12.994 1.00 0.00 C ATOM 982 C ASP A 67 4.491 -11.808 -12.689 1.00 0.00 C ATOM 983 O ASP A 67 3.531 -11.886 -13.432 1.00 0.00 O ATOM 984 CB ASP A 67 6.008 -12.571 -14.516 1.00 0.00 C ATOM 985 CG ASP A 67 7.383 -11.978 -14.831 1.00 0.00 C ATOM 986 OD1 ASP A 67 8.350 -12.632 -14.473 1.00 0.00 O ATOM 987 OD2 ASP A 67 7.390 -10.904 -15.408 1.00 0.00 O ATOM 0 H ASP A 67 5.726 -14.658 -13.224 1.00 0.00 H new ATOM 0 HA ASP A 67 6.609 -12.027 -12.500 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.946 -13.594 -14.887 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.228 -12.001 -15.021 1.00 0.00 H new ATOM 992 N TYR A 68 4.486 -11.113 -11.593 1.00 0.00 N ATOM 993 CA TYR A 68 3.274 -10.366 -11.210 1.00 0.00 C ATOM 994 C TYR A 68 3.305 -8.945 -11.767 1.00 0.00 C ATOM 995 O TYR A 68 4.268 -8.223 -11.589 1.00 0.00 O ATOM 996 CB TYR A 68 3.229 -10.300 -9.676 1.00 0.00 C ATOM 997 CG TYR A 68 2.207 -11.319 -9.154 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.863 -11.165 -9.426 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.617 -12.407 -8.405 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.058 -12.082 -8.959 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.695 -13.325 -7.938 1.00 0.00 C ATOM 1002 CZ TYR A 68 0.350 -13.170 -8.213 1.00 0.00 C ATOM 1003 OH TYR A 68 -0.572 -14.090 -7.753 1.00 0.00 O ATOM 0 H TYR A 68 5.272 -11.032 -10.948 1.00 0.00 H new ATOM 0 HA TYR A 68 2.396 -10.870 -11.614 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.215 -10.512 -9.262 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.957 -9.296 -9.352 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.528 -10.320 -10.009 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.666 -12.540 -8.183 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.107 -11.947 -9.179 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.029 -14.170 -7.354 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.110 -14.791 -7.247 1.00 0.00 H new ATOM 1013 N THR A 69 2.248 -8.573 -12.444 1.00 0.00 N ATOM 1014 CA THR A 69 2.191 -7.206 -13.021 1.00 0.00 C ATOM 1015 C THR A 69 1.479 -6.265 -12.058 1.00 0.00 C ATOM 1016 O THR A 69 0.315 -6.458 -11.744 1.00 0.00 O ATOM 1017 CB THR A 69 1.405 -7.266 -14.340 1.00 0.00 C ATOM 1018 OG1 THR A 69 2.301 -7.818 -15.283 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.108 -5.854 -14.873 1.00 0.00 C ATOM 0 H THR A 69 1.430 -9.156 -12.619 1.00 0.00 H new ATOM 0 HA THR A 69 3.202 -6.839 -13.196 1.00 0.00 H new ATOM 0 HB THR A 69 0.477 -7.818 -14.189 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.858 -7.886 -16.154 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.551 -5.927 -15.807 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.517 -5.305 -14.140 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.046 -5.327 -15.050 1.00 0.00 H new ATOM 1027 N ILE A 70 2.196 -5.266 -11.601 1.00 0.00 N ATOM 1028 CA ILE A 70 1.591 -4.286 -10.650 1.00 0.00 C ATOM 1029 C ILE A 70 1.282 -2.966 -11.363 1.00 0.00 C ATOM 1030 O ILE A 70 2.033 -2.525 -12.211 1.00 0.00 O ATOM 1031 CB ILE A 70 2.622 -4.048 -9.513 1.00 0.00 C ATOM 1032 CG1 ILE A 70 2.222 -2.864 -8.623 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.982 -3.737 -10.149 1.00 0.00 C ATOM 1034 CD1 ILE A 70 0.843 -3.121 -8.015 1.00 0.00 C ATOM 0 H ILE A 70 3.170 -5.089 -11.846 1.00 0.00 H new ATOM 0 HA ILE A 70 0.654 -4.674 -10.250 1.00 0.00 H new ATOM 0 HB ILE A 70 2.663 -4.944 -8.894 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.959 -2.726 -7.832 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.207 -1.945 -9.209 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.720 -3.567 -9.365 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.296 -4.579 -10.766 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.898 -2.844 -10.769 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.561 -2.279 -7.383 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.110 -3.238 -8.813 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.874 -4.030 -7.415 1.00 0.00 H new ATOM 1046 N THR A 71 0.174 -2.363 -11.010 1.00 0.00 N ATOM 1047 CA THR A 71 -0.198 -1.073 -11.660 1.00 0.00 C ATOM 1048 C THR A 71 -0.815 -0.111 -10.665 1.00 0.00 C ATOM 1049 O THR A 71 -1.719 -0.473 -9.938 1.00 0.00 O ATOM 1050 CB THR A 71 -1.243 -1.356 -12.742 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.619 -2.224 -13.658 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.545 -0.084 -13.553 1.00 0.00 C ATOM 0 H THR A 71 -0.482 -2.705 -10.307 1.00 0.00 H new ATOM 0 HA THR A 71 0.706 -0.627 -12.075 1.00 0.00 H new ATOM 0 HB THR A 71 -2.152 -1.742 -12.281 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.245 -2.444 -14.379 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.290 -0.308 -14.316 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.928 0.689 -12.887 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.631 0.269 -14.031 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.312 1.107 -10.648 1.00 0.00 N ATOM 1061 CA VAL A 72 -0.874 2.121 -9.694 1.00 0.00 C ATOM 1062 C VAL A 72 -1.320 3.377 -10.434 1.00 0.00 C ATOM 1063 O VAL A 72 -0.581 3.945 -11.230 1.00 0.00 O ATOM 1064 CB VAL A 72 0.192 2.489 -8.615 1.00 0.00 C ATOM 1065 CG1 VAL A 72 1.042 1.258 -8.309 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.101 3.618 -9.115 1.00 0.00 C ATOM 0 H VAL A 72 0.449 1.437 -11.242 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.744 1.684 -9.205 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.322 2.826 -7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.789 1.509 -7.556 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.403 0.459 -7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.542 0.926 -9.219 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.837 3.859 -8.348 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.614 3.298 -10.022 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.499 4.501 -9.331 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.551 3.766 -10.179 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.101 4.977 -10.836 1.00 0.00 C ATOM 1078 C TYR A 73 -2.998 6.154 -9.900 1.00 0.00 C ATOM 1079 O TYR A 73 -3.117 5.992 -8.702 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.601 4.776 -11.122 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.838 3.714 -12.219 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.495 2.389 -12.018 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.481 4.062 -13.397 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.796 1.432 -12.972 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.779 3.101 -14.346 1.00 0.00 C ATOM 1086 CZ TYR A 73 -5.439 1.781 -14.140 1.00 0.00 C ATOM 1087 OH TYR A 73 -5.745 0.820 -15.084 1.00 0.00 O ATOM 0 H TYR A 73 -3.191 3.290 -9.543 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.541 5.151 -11.755 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.108 4.472 -10.206 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.042 5.723 -11.432 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.988 2.099 -11.109 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.751 5.092 -13.575 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.524 0.401 -12.799 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.283 3.387 -15.257 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.198 1.241 -15.844 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.786 7.315 -10.463 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.671 8.540 -9.632 1.00 0.00 C ATOM 1099 C ALA A 74 -3.749 9.532 -10.039 1.00 0.00 C ATOM 1100 O ALA A 74 -3.510 10.406 -10.848 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.296 9.174 -9.887 1.00 0.00 C ATOM 0 H ALA A 74 -2.688 7.463 -11.467 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.787 8.285 -8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.194 10.076 -9.284 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.513 8.466 -9.616 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.204 9.431 -10.942 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.918 9.387 -9.476 1.00 0.00 N ATOM 1108 CA VAL A 75 -6.010 10.329 -9.842 1.00 0.00 C ATOM 1109 C VAL A 75 -5.892 11.640 -9.073 1.00 0.00 C ATOM 1110 O VAL A 75 -5.786 11.646 -7.861 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.360 9.669 -9.518 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.444 10.744 -9.467 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.708 8.667 -10.622 1.00 0.00 C ATOM 0 H VAL A 75 -5.160 8.671 -8.791 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.936 10.553 -10.906 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.297 9.157 -8.558 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.404 10.282 -9.238 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.198 11.472 -8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.504 11.246 -10.433 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.665 8.196 -10.397 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.775 9.187 -11.577 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.932 7.904 -10.678 1.00 0.00 H new ATOM 1123 N THR A 76 -5.918 12.731 -9.805 1.00 0.00 N ATOM 1124 CA THR A 76 -5.810 14.070 -9.163 1.00 0.00 C ATOM 1125 C THR A 76 -6.928 14.978 -9.631 1.00 0.00 C ATOM 1126 O THR A 76 -7.696 15.491 -8.843 1.00 0.00 O ATOM 1127 CB THR A 76 -4.473 14.693 -9.577 1.00 0.00 C ATOM 1128 OG1 THR A 76 -3.493 14.007 -8.831 1.00 0.00 O ATOM 1129 CG2 THR A 76 -4.374 16.151 -9.098 1.00 0.00 C ATOM 0 H THR A 76 -6.010 12.745 -10.821 1.00 0.00 H new ATOM 0 HA THR A 76 -5.876 13.956 -8.081 1.00 0.00 H new ATOM 0 HB THR A 76 -4.363 14.640 -10.660 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.606 14.360 -9.053 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.416 16.570 -9.404 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.183 16.734 -9.538 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.453 16.183 -8.011 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.734 6.349 -15.216 1.00 0.00 N ATOM 1267 CA PRO A 87 -1.522 4.953 -14.830 1.00 0.00 C ATOM 1268 C PRO A 87 -0.215 4.383 -15.347 1.00 0.00 C ATOM 1269 O PRO A 87 0.105 4.505 -16.513 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.707 4.182 -15.454 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.643 5.232 -16.127 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.937 6.592 -16.037 1.00 0.00 C ATOM 0 HA PRO A 87 -1.468 4.868 -13.745 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.351 3.459 -16.188 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.246 3.622 -14.690 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.835 4.966 -17.166 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.609 5.266 -15.623 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.670 6.964 -17.026 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.582 7.341 -15.578 1.00 0.00 H new ATOM 1280 N ILE A 88 0.521 3.770 -14.450 1.00 0.00 N ATOM 1281 CA ILE A 88 1.822 3.166 -14.841 1.00 0.00 C ATOM 1282 C ILE A 88 1.919 1.762 -14.272 1.00 0.00 C ATOM 1283 O ILE A 88 1.422 1.497 -13.194 1.00 0.00 O ATOM 1284 CB ILE A 88 2.961 4.015 -14.264 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.251 3.194 -14.231 1.00 0.00 C ATOM 1286 CG2 ILE A 88 2.591 4.411 -12.827 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.456 4.136 -14.281 1.00 0.00 C ATOM 0 H ILE A 88 0.272 3.665 -13.466 1.00 0.00 H new ATOM 0 HA ILE A 88 1.895 3.128 -15.928 1.00 0.00 H new ATOM 0 HB ILE A 88 3.110 4.901 -14.882 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.286 2.589 -13.325 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.278 2.506 -15.076 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.390 5.016 -12.399 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.665 4.986 -12.835 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.455 3.512 -12.226 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.376 3.552 -14.257 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.422 4.722 -15.199 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.430 4.806 -13.422 1.00 0.00 H new ATOM 1299 N SER A 89 2.546 0.881 -15.001 1.00 0.00 N ATOM 1300 CA SER A 89 2.674 -0.510 -14.504 1.00 0.00 C ATOM 1301 C SER A 89 4.011 -1.119 -14.903 1.00 0.00 C ATOM 1302 O SER A 89 4.603 -0.735 -15.892 1.00 0.00 O ATOM 1303 CB SER A 89 1.566 -1.355 -15.141 1.00 0.00 C ATOM 1304 OG SER A 89 1.988 -1.523 -16.485 1.00 0.00 O ATOM 0 H SER A 89 2.970 1.065 -15.910 1.00 0.00 H new ATOM 0 HA SER A 89 2.600 -0.496 -13.417 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.455 -2.314 -14.635 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.600 -0.853 -15.086 1.00 0.00 H new ATOM 0 HG SER A 89 1.328 -2.061 -16.970 1.00 0.00 H new ATOM 1310 N ILE A 90 4.460 -2.061 -14.124 1.00 0.00 N ATOM 1311 CA ILE A 90 5.754 -2.718 -14.435 1.00 0.00 C ATOM 1312 C ILE A 90 5.728 -4.177 -13.994 1.00 0.00 C ATOM 1313 O ILE A 90 5.155 -4.511 -12.968 1.00 0.00 O ATOM 1314 CB ILE A 90 6.887 -1.992 -13.682 1.00 0.00 C ATOM 1315 CG1 ILE A 90 6.515 -1.794 -12.211 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.101 -0.612 -14.330 1.00 0.00 C ATOM 1317 CD1 ILE A 90 7.552 -2.492 -11.326 1.00 0.00 C ATOM 0 H ILE A 90 3.987 -2.403 -13.287 1.00 0.00 H new ATOM 0 HA ILE A 90 5.922 -2.670 -15.511 1.00 0.00 H new ATOM 0 HB ILE A 90 7.795 -2.593 -13.738 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.475 -0.731 -11.974 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.522 -2.201 -12.017 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.900 -0.085 -13.808 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.374 -0.740 -15.377 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.180 -0.032 -14.264 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.289 -2.352 -10.278 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.569 -3.557 -11.557 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.537 -2.064 -11.513 1.00 0.00 H new ATOM 1329 N ASN A 91 6.328 -5.026 -14.785 1.00 0.00 N ATOM 1330 CA ASN A 91 6.350 -6.459 -14.430 1.00 0.00 C ATOM 1331 C ASN A 91 7.278 -6.691 -13.245 1.00 0.00 C ATOM 1332 O ASN A 91 8.193 -5.925 -13.019 1.00 0.00 O ATOM 1333 CB ASN A 91 6.875 -7.243 -15.639 1.00 0.00 C ATOM 1334 CG ASN A 91 8.346 -7.603 -15.416 1.00 0.00 C ATOM 1335 OD1 ASN A 91 8.666 -8.604 -14.809 1.00 0.00 O ATOM 1336 ND2 ASN A 91 9.271 -6.812 -15.889 1.00 0.00 N ATOM 0 H ASN A 91 6.800 -4.783 -15.656 1.00 0.00 H new ATOM 0 HA ASN A 91 5.346 -6.788 -14.161 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.286 -8.149 -15.782 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.769 -6.647 -16.546 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.256 -7.037 -15.747 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.009 -5.969 -16.400 1.00 0.00 H new ATOM 1343 N TYR A 92 7.032 -7.737 -12.507 1.00 0.00 N ATOM 1344 CA TYR A 92 7.903 -8.015 -11.335 1.00 0.00 C ATOM 1345 C TYR A 92 7.947 -9.507 -11.015 1.00 0.00 C ATOM 1346 O TYR A 92 6.925 -10.121 -10.771 1.00 0.00 O ATOM 1347 CB TYR A 92 7.318 -7.263 -10.125 1.00 0.00 C ATOM 1348 CG TYR A 92 8.384 -7.111 -9.036 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.781 -8.198 -8.283 1.00 0.00 C ATOM 1350 CD2 TYR A 92 8.954 -5.883 -8.785 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.733 -8.055 -7.293 1.00 0.00 C ATOM 1352 CE2 TYR A 92 9.905 -5.739 -7.795 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.303 -6.824 -7.043 1.00 0.00 C ATOM 1354 OH TYR A 92 11.254 -6.679 -6.055 1.00 0.00 O ATOM 0 H TYR A 92 6.275 -8.403 -12.662 1.00 0.00 H new ATOM 0 HA TYR A 92 8.918 -7.688 -11.559 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.961 -6.281 -10.435 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.458 -7.805 -9.731 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.344 -9.168 -8.470 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.654 -5.025 -9.368 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.033 -8.913 -6.710 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.341 -4.769 -7.608 1.00 0.00 H new ATOM 0 HH TYR A 92 11.547 -5.745 -6.018 1.00 0.00 H new ATOM 1364 N ARG A 93 9.134 -10.064 -11.020 1.00 0.00 N ATOM 1365 CA ARG A 93 9.260 -11.512 -10.715 1.00 0.00 C ATOM 1366 C ARG A 93 9.024 -11.771 -9.234 1.00 0.00 C ATOM 1367 O ARG A 93 9.952 -12.008 -8.487 1.00 0.00 O ATOM 1368 CB ARG A 93 10.680 -11.980 -11.094 1.00 0.00 C ATOM 1369 CG ARG A 93 11.716 -10.993 -10.547 1.00 0.00 C ATOM 1370 CD ARG A 93 13.004 -11.756 -10.192 1.00 0.00 C ATOM 1371 NE ARG A 93 13.269 -12.790 -11.239 1.00 0.00 N ATOM 1372 CZ ARG A 93 14.388 -13.474 -11.203 1.00 0.00 C ATOM 1373 NH1 ARG A 93 15.520 -12.828 -11.130 1.00 0.00 N ATOM 1374 NH2 ARG A 93 14.336 -14.779 -11.243 1.00 0.00 N ATOM 0 H ARG A 93 10.009 -9.580 -11.221 1.00 0.00 H new ATOM 0 HA ARG A 93 8.513 -12.062 -11.288 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.864 -12.976 -10.690 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.771 -12.054 -12.178 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.928 -10.222 -11.288 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.324 -10.487 -9.665 1.00 0.00 H new ATOM 0 HD2 ARG A 93 13.844 -11.064 -10.126 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.903 -12.228 -9.215 1.00 0.00 H new ATOM 0 HE ARG A 93 12.585 -12.962 -11.976 1.00 0.00 H new ATOM 0 HH11 ARG A 93 15.524 -11.808 -11.102 1.00 0.00 H new ATOM 0 HH12 ARG A 93 16.400 -13.343 -11.101 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.434 -15.252 -11.301 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.197 -15.325 -11.216 1.00 0.00 H new ATOM 1388 N THR A 94 7.772 -11.727 -8.841 1.00 0.00 N ATOM 1389 CA THR A 94 7.438 -11.966 -7.412 1.00 0.00 C ATOM 1390 C THR A 94 6.864 -13.366 -7.227 1.00 0.00 C ATOM 1391 O THR A 94 6.073 -13.743 -8.081 1.00 0.00 O ATOM 1392 CB THR A 94 6.376 -10.941 -6.982 1.00 0.00 C ATOM 1393 OG1 THR A 94 6.218 -10.075 -8.084 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.907 -10.037 -5.857 1.00 0.00 C ATOM 1395 OXT THR A 94 7.246 -13.984 -6.245 1.00 0.00 O ATOM 0 H THR A 94 6.975 -11.537 -9.449 1.00 0.00 H new ATOM 0 HA THR A 94 8.342 -11.868 -6.811 1.00 0.00 H new ATOM 0 HB THR A 94 5.475 -11.463 -6.661 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.547 -9.394 -7.871 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.136 -9.321 -5.571 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.173 -10.648 -4.994 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.789 -9.500 -6.207 1.00 0.00 H new