USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0782 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -142:sc= 0.00601 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 25:sc= 0.227 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= -0.278 (180deg=-0.278) USER MOD Single : A 89 ASN : amide:sc= -0.691 K(o=-0.69,f=-6.1!) USER MOD Single : A 92 SER OG : rot 180:sc= 0.102 USER MOD Single : A 96 LYS NZ :NH3+ 155:sc= 1.27 (180deg=0.855) USER MOD Single : A 97 THR OG1 : rot -113:sc= 0.206 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -1.13 K(o=-1.1,f=-11!) USER MOD Single : A 106 GLN : amide:sc= -0.328 K(o=-0.33,f=-2.7!) USER MOD Single : A 107 ASN : amide:sc= -0.0234 X(o=-0.023,f=-0.076) USER MOD Single : A 108 SER OG : rot 87:sc= -0.822 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.074 USER MOD Single : A 115 SER OG : rot -38:sc= -0.762! USER MOD Single : A 117 MET CE :methyl 172:sc= -0.372 (180deg=-0.462) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -12.717 -11.684 7.294 1.00 0.00 N ATOM 70 CA PRO A 9 -11.480 -11.149 6.750 1.00 0.00 C ATOM 71 C PRO A 9 -10.338 -11.276 7.761 1.00 0.00 C ATOM 72 O PRO A 9 -10.563 -11.622 8.919 1.00 0.00 O ATOM 73 CB PRO A 9 -11.800 -9.706 6.394 1.00 0.00 C ATOM 74 CG PRO A 9 -13.055 -9.352 7.174 1.00 0.00 C ATOM 75 CD PRO A 9 -13.662 -10.645 7.693 1.00 0.00 C ATOM 0 HA PRO A 9 -11.134 -11.695 5.872 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.975 -9.046 6.661 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.962 -9.595 5.322 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.815 -8.684 8.001 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.765 -8.826 6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.787 -10.617 8.776 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.648 -10.820 7.263 1.00 0.00 H new ATOM 80 N LYS A 10 -9.134 -10.988 7.285 1.00 0.00 N ATOM 81 CA LYS A 10 -7.957 -11.066 8.132 1.00 0.00 C ATOM 82 C LYS A 10 -7.683 -9.691 8.744 1.00 0.00 C ATOM 83 O LYS A 10 -7.981 -8.665 8.135 1.00 0.00 O ATOM 84 CB LYS A 10 -6.773 -11.637 7.349 1.00 0.00 C ATOM 85 CG LYS A 10 -5.465 -11.460 8.126 1.00 0.00 C ATOM 86 CD LYS A 10 -5.345 -12.504 9.239 1.00 0.00 C ATOM 87 CE LYS A 10 -3.920 -13.057 9.318 1.00 0.00 C ATOM 88 NZ LYS A 10 -3.897 -14.318 10.092 1.00 0.00 N ATOM 0 H LYS A 10 -8.950 -10.701 6.324 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.127 -11.755 8.959 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.941 -12.695 7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.697 -11.138 6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.618 -11.549 7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.425 -10.459 8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.619 -12.056 10.194 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.046 -13.319 9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.535 -13.233 8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.264 -12.323 9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.923 -14.680 10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.244 -14.140 11.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.507 -15.021 9.628 1.00 0.00 H new ATOM 98 N THR A 11 -7.118 -9.715 9.943 1.00 0.00 N ATOM 99 CA THR A 11 -6.801 -8.483 10.645 1.00 0.00 C ATOM 100 C THR A 11 -5.398 -8.559 11.249 1.00 0.00 C ATOM 101 O THR A 11 -5.021 -9.576 11.828 1.00 0.00 O ATOM 102 CB THR A 11 -7.896 -8.237 11.684 1.00 0.00 C ATOM 103 OG1 THR A 11 -9.111 -8.437 10.966 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.964 -6.774 12.128 1.00 0.00 C ATOM 0 H THR A 11 -6.872 -10.568 10.445 1.00 0.00 H new ATOM 0 HA THR A 11 -6.782 -7.633 9.963 1.00 0.00 H new ATOM 0 HB THR A 11 -7.720 -8.873 12.552 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.873 -8.298 11.567 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.758 -6.654 12.866 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.011 -6.483 12.570 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.172 -6.141 11.265 1.00 0.00 H new ATOM 112 N VAL A 12 -4.661 -7.469 11.091 1.00 0.00 N ATOM 113 CA VAL A 12 -3.306 -7.399 11.612 1.00 0.00 C ATOM 114 C VAL A 12 -3.035 -5.986 12.129 1.00 0.00 C ATOM 115 O VAL A 12 -3.191 -5.012 11.394 1.00 0.00 O ATOM 116 CB VAL A 12 -2.310 -7.846 10.540 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.012 -9.341 10.657 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.816 -7.495 9.139 1.00 0.00 C ATOM 0 H VAL A 12 -4.977 -6.627 10.609 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.184 -8.081 12.454 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.378 -7.305 10.704 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.302 -9.632 9.883 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.586 -9.551 11.638 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.935 -9.907 10.533 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.089 -7.824 8.397 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.768 -7.994 8.960 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.952 -6.416 9.061 1.00 0.00 H new ATOM 128 N THR A 13 -2.634 -5.917 13.390 1.00 0.00 N ATOM 129 CA THR A 13 -2.341 -4.638 14.014 1.00 0.00 C ATOM 130 C THR A 13 -0.829 -4.430 14.117 1.00 0.00 C ATOM 131 O THR A 13 -0.067 -5.395 14.161 1.00 0.00 O ATOM 132 CB THR A 13 -3.053 -4.598 15.368 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.429 -4.778 15.042 1.00 0.00 O ATOM 134 CG2 THR A 13 -3.002 -3.213 16.015 1.00 0.00 C ATOM 0 H THR A 13 -2.505 -6.727 13.997 1.00 0.00 H new ATOM 0 HA THR A 13 -2.712 -3.809 13.411 1.00 0.00 H new ATOM 0 HB THR A 13 -2.600 -5.329 16.038 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.964 -4.767 15.863 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.521 -3.240 16.973 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.963 -2.923 16.173 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.485 -2.488 15.360 1.00 0.00 H new ATOM 142 N LEU A 14 -0.439 -3.163 14.152 1.00 0.00 N ATOM 143 CA LEU A 14 0.969 -2.817 14.248 1.00 0.00 C ATOM 144 C LEU A 14 1.144 -1.695 15.275 1.00 0.00 C ATOM 145 O LEU A 14 0.163 -1.116 15.738 1.00 0.00 O ATOM 146 CB LEU A 14 1.533 -2.480 12.866 1.00 0.00 C ATOM 147 CG LEU A 14 1.355 -3.552 11.790 1.00 0.00 C ATOM 148 CD1 LEU A 14 -0.012 -3.429 11.113 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.502 -3.507 10.777 1.00 0.00 C ATOM 0 H LEU A 14 -1.073 -2.365 14.116 1.00 0.00 H new ATOM 0 HA LEU A 14 1.548 -3.669 14.604 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.061 -1.561 12.517 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.598 -2.272 12.971 1.00 0.00 H new ATOM 0 HG LEU A 14 1.388 -4.529 12.272 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.112 -4.203 10.352 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.799 -3.548 11.858 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.100 -2.448 10.646 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.352 -4.279 10.023 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.524 -2.529 10.296 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.448 -3.681 11.290 1.00 0.00 H new ATOM 160 N LYS A 15 2.400 -1.423 15.597 1.00 0.00 N ATOM 161 CA LYS A 15 2.715 -0.383 16.560 1.00 0.00 C ATOM 162 C LYS A 15 3.922 0.417 16.063 1.00 0.00 C ATOM 163 O LYS A 15 5.013 -0.131 15.911 1.00 0.00 O ATOM 164 CB LYS A 15 2.907 -0.981 17.955 1.00 0.00 C ATOM 165 CG LYS A 15 1.741 -1.902 18.322 1.00 0.00 C ATOM 166 CD LYS A 15 1.551 -1.970 19.837 1.00 0.00 C ATOM 167 CE LYS A 15 0.940 -3.308 20.254 1.00 0.00 C ATOM 168 NZ LYS A 15 1.085 -3.513 21.712 1.00 0.00 N ATOM 0 H LYS A 15 3.211 -1.905 15.208 1.00 0.00 H new ATOM 0 HA LYS A 15 1.883 0.315 16.651 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.842 -1.541 17.989 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.988 -0.180 18.690 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.826 -1.540 17.853 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.926 -2.902 17.930 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.512 -1.834 20.334 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.906 -1.154 20.163 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.115 -3.334 19.981 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.428 -4.121 19.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.665 -4.426 21.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.094 -3.510 21.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.599 -2.747 22.220 1.00 0.00 H new ATOM 178 N ARG A 16 3.686 1.698 15.823 1.00 0.00 N ATOM 179 CA ARG A 16 4.738 2.578 15.345 1.00 0.00 C ATOM 180 C ARG A 16 6.033 2.325 16.123 1.00 0.00 C ATOM 181 O ARG A 16 6.113 2.622 17.314 1.00 0.00 O ATOM 182 CB ARG A 16 4.339 4.048 15.496 1.00 0.00 C ATOM 183 CG ARG A 16 5.415 4.970 14.916 1.00 0.00 C ATOM 184 CD ARG A 16 4.795 6.024 13.997 1.00 0.00 C ATOM 185 NE ARG A 16 5.574 7.280 14.071 1.00 0.00 N ATOM 186 CZ ARG A 16 5.258 8.400 13.407 1.00 0.00 C ATOM 187 NH1 ARG A 16 4.178 8.427 12.615 1.00 0.00 N ATOM 188 NH2 ARG A 16 6.023 9.492 13.534 1.00 0.00 N ATOM 0 H ARG A 16 2.780 2.148 15.951 1.00 0.00 H new ATOM 0 HA ARG A 16 4.896 2.364 14.288 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.391 4.225 14.989 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.185 4.281 16.550 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.954 5.461 15.726 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.143 4.380 14.360 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.776 5.658 12.971 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.761 6.210 14.288 1.00 0.00 H new ATOM 0 HE ARG A 16 6.403 7.294 14.665 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.596 7.595 12.517 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.937 9.280 12.110 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.846 9.471 14.136 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.783 10.345 13.029 1.00 0.00 H new ATOM 264 N GLY A 22 7.543 -1.630 10.189 1.00 0.00 N ATOM 265 CA GLY A 22 8.349 -2.770 9.787 1.00 0.00 C ATOM 266 C GLY A 22 8.141 -3.093 8.307 1.00 0.00 C ATOM 267 O GLY A 22 8.971 -2.745 7.469 1.00 0.00 O ATOM 0 HA2 GLY A 22 9.402 -2.559 9.972 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.086 -3.637 10.393 1.00 0.00 H new ATOM 271 N PHE A 23 7.027 -3.757 8.030 1.00 0.00 N ATOM 272 CA PHE A 23 6.700 -4.132 6.664 1.00 0.00 C ATOM 273 C PHE A 23 6.734 -2.914 5.739 1.00 0.00 C ATOM 274 O PHE A 23 6.974 -1.795 6.188 1.00 0.00 O ATOM 275 CB PHE A 23 5.280 -4.703 6.686 1.00 0.00 C ATOM 276 CG PHE A 23 4.182 -3.638 6.665 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.129 -2.696 7.644 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.259 -3.634 5.667 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.109 -1.708 7.625 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.238 -2.646 5.647 1.00 0.00 C ATOM 281 CZ PHE A 23 2.185 -1.703 6.626 1.00 0.00 C ATOM 0 H PHE A 23 6.341 -4.044 8.728 1.00 0.00 H new ATOM 0 HA PHE A 23 7.424 -4.857 6.292 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.150 -5.361 5.827 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.160 -5.317 7.579 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.863 -2.699 8.436 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.302 -4.382 4.889 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.067 -0.961 8.403 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.504 -2.644 4.855 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.410 -0.951 6.610 1.00 0.00 H new ATOM 290 N THR A 24 6.488 -3.175 4.462 1.00 0.00 N ATOM 291 CA THR A 24 6.489 -2.114 3.470 1.00 0.00 C ATOM 292 C THR A 24 5.672 -2.530 2.245 1.00 0.00 C ATOM 293 O THR A 24 5.506 -3.720 1.981 1.00 0.00 O ATOM 294 CB THR A 24 7.943 -1.773 3.142 1.00 0.00 C ATOM 295 OG1 THR A 24 7.846 -0.751 2.152 1.00 0.00 O ATOM 296 CG2 THR A 24 8.667 -2.916 2.429 1.00 0.00 C ATOM 0 H THR A 24 6.287 -4.105 4.093 1.00 0.00 H new ATOM 0 HA THR A 24 6.008 -1.214 3.854 1.00 0.00 H new ATOM 0 HB THR A 24 8.473 -1.526 4.062 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.745 -0.470 1.883 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.695 -2.621 2.220 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.666 -3.801 3.066 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.157 -3.142 1.493 1.00 0.00 H new ATOM 304 N LEU A 25 5.183 -1.527 1.530 1.00 0.00 N ATOM 305 CA LEU A 25 4.387 -1.775 0.340 1.00 0.00 C ATOM 306 C LEU A 25 5.155 -1.288 -0.892 1.00 0.00 C ATOM 307 O LEU A 25 6.176 -0.613 -0.765 1.00 0.00 O ATOM 308 CB LEU A 25 2.998 -1.152 0.484 1.00 0.00 C ATOM 309 CG LEU A 25 2.294 -1.386 1.823 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.513 -2.819 2.313 1.00 0.00 C ATOM 311 CD2 LEU A 25 2.733 -0.351 2.861 1.00 0.00 C ATOM 0 H LEU A 25 5.323 -0.541 1.752 1.00 0.00 H new ATOM 0 HA LEU A 25 4.219 -2.844 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.085 -0.077 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.362 -1.542 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 25 1.222 -1.257 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.003 -2.960 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.112 -3.519 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.580 -3.000 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.218 -0.540 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.810 -0.424 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.484 0.649 2.506 1.00 0.00 H new ATOM 322 N ARG A 26 4.634 -1.647 -2.056 1.00 0.00 N ATOM 323 CA ARG A 26 5.257 -1.255 -3.308 1.00 0.00 C ATOM 324 C ARG A 26 4.193 -1.043 -4.387 1.00 0.00 C ATOM 325 O ARG A 26 3.474 -1.973 -4.746 1.00 0.00 O ATOM 326 CB ARG A 26 6.250 -2.317 -3.785 1.00 0.00 C ATOM 327 CG ARG A 26 6.911 -1.898 -5.099 1.00 0.00 C ATOM 328 CD ARG A 26 8.201 -2.686 -5.341 1.00 0.00 C ATOM 329 NE ARG A 26 9.356 -1.762 -5.389 1.00 0.00 N ATOM 330 CZ ARG A 26 10.596 -2.130 -5.739 1.00 0.00 C ATOM 331 NH1 ARG A 26 10.850 -3.402 -6.074 1.00 0.00 N ATOM 332 NH2 ARG A 26 11.584 -1.224 -5.753 1.00 0.00 N ATOM 0 H ARG A 26 3.787 -2.206 -2.158 1.00 0.00 H new ATOM 0 HA ARG A 26 5.794 -0.323 -3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.014 -2.474 -3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.734 -3.268 -3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.220 -2.062 -5.926 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.132 -0.831 -5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.344 -3.419 -4.547 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.129 -3.240 -6.277 1.00 0.00 H new ATOM 0 HE ARG A 26 9.199 -0.785 -5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.099 -4.092 -6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.794 -3.680 -6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.392 -0.256 -5.497 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.528 -1.503 -6.019 1.00 0.00 H new ATOM 862 N ILE A 63 -2.256 -2.999 -3.516 1.00 0.00 N ATOM 863 CA ILE A 63 -1.241 -2.885 -2.481 1.00 0.00 C ATOM 864 C ILE A 63 -0.840 -4.284 -2.010 1.00 0.00 C ATOM 865 O ILE A 63 -1.663 -5.020 -1.467 1.00 0.00 O ATOM 866 CB ILE A 63 -1.727 -1.973 -1.354 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.490 -0.500 -1.699 1.00 0.00 C ATOM 868 CG2 ILE A 63 -1.085 -2.359 -0.020 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.808 0.275 -1.724 1.00 0.00 C ATOM 0 HA ILE A 63 -0.343 -2.412 -2.878 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.803 -2.109 -1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.816 -0.055 -0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.001 -0.424 -2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.448 -1.695 0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.348 -3.388 0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.001 -2.270 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.612 1.318 -1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.470 -0.158 -2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.283 0.217 -0.744 1.00 0.00 H new ATOM 880 N PHE A 64 0.424 -4.610 -2.236 1.00 0.00 N ATOM 881 CA PHE A 64 0.946 -5.908 -1.841 1.00 0.00 C ATOM 882 C PHE A 64 2.172 -5.755 -0.940 1.00 0.00 C ATOM 883 O PHE A 64 2.949 -4.815 -1.097 1.00 0.00 O ATOM 884 CB PHE A 64 1.356 -6.634 -3.124 1.00 0.00 C ATOM 885 CG PHE A 64 0.181 -7.035 -4.017 1.00 0.00 C ATOM 886 CD1 PHE A 64 -0.359 -6.131 -4.877 1.00 0.00 C ATOM 887 CD2 PHE A 64 -0.324 -8.296 -3.950 1.00 0.00 C ATOM 888 CE1 PHE A 64 -1.450 -6.502 -5.706 1.00 0.00 C ATOM 889 CE2 PHE A 64 -1.416 -8.668 -4.779 1.00 0.00 C ATOM 890 CZ PHE A 64 -1.955 -7.763 -5.640 1.00 0.00 C ATOM 0 H PHE A 64 1.103 -3.997 -2.688 1.00 0.00 H new ATOM 0 HA PHE A 64 0.188 -6.461 -1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.028 -5.992 -3.693 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.919 -7.529 -2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.042 -5.130 -4.930 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.105 -9.014 -3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.879 -5.783 -6.389 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.818 -9.669 -4.726 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.784 -8.046 -6.271 1.00 0.00 H new ATOM 899 N VAL A 65 2.307 -6.695 -0.015 1.00 0.00 N ATOM 900 CA VAL A 65 3.425 -6.677 0.911 1.00 0.00 C ATOM 901 C VAL A 65 4.708 -7.052 0.165 1.00 0.00 C ATOM 902 O VAL A 65 4.725 -8.019 -0.596 1.00 0.00 O ATOM 903 CB VAL A 65 3.135 -7.595 2.100 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.337 -7.665 3.045 1.00 0.00 C ATOM 905 CG2 VAL A 65 1.877 -7.147 2.845 1.00 0.00 C ATOM 0 H VAL A 65 1.660 -7.473 0.112 1.00 0.00 H new ATOM 0 HA VAL A 65 3.567 -5.676 1.317 1.00 0.00 H new ATOM 0 HB VAL A 65 2.955 -8.598 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.104 -8.324 3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.201 -8.054 2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.563 -6.667 3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.694 -7.817 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.015 -6.131 3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.024 -7.174 2.167 1.00 0.00 H new ATOM 915 N LYS A 66 5.748 -6.269 0.408 1.00 0.00 N ATOM 916 CA LYS A 66 7.030 -6.508 -0.232 1.00 0.00 C ATOM 917 C LYS A 66 7.939 -7.278 0.729 1.00 0.00 C ATOM 918 O LYS A 66 8.367 -8.390 0.426 1.00 0.00 O ATOM 919 CB LYS A 66 7.634 -5.192 -0.728 1.00 0.00 C ATOM 920 CG LYS A 66 8.826 -5.450 -1.654 1.00 0.00 C ATOM 921 CD LYS A 66 9.842 -4.310 -1.568 1.00 0.00 C ATOM 922 CE LYS A 66 11.075 -4.734 -0.766 1.00 0.00 C ATOM 923 NZ LYS A 66 12.225 -4.970 -1.669 1.00 0.00 N ATOM 0 H LYS A 66 5.729 -5.468 1.039 1.00 0.00 H new ATOM 0 HA LYS A 66 6.904 -7.129 -1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.875 -4.616 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.954 -4.591 0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.305 -6.391 -1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.477 -5.555 -2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.142 -4.009 -2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.380 -3.441 -1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.328 -3.961 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.855 -5.641 -0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.053 -5.257 -1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.987 -5.723 -2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.444 -4.096 -2.188 1.00 0.00 H new ATOM 933 N GLN A 67 8.208 -6.654 1.865 1.00 0.00 N ATOM 934 CA GLN A 67 9.057 -7.267 2.873 1.00 0.00 C ATOM 935 C GLN A 67 8.428 -7.121 4.260 1.00 0.00 C ATOM 936 O GLN A 67 7.493 -6.343 4.442 1.00 0.00 O ATOM 937 CB GLN A 67 10.464 -6.667 2.843 1.00 0.00 C ATOM 938 CG GLN A 67 11.391 -7.484 1.941 1.00 0.00 C ATOM 939 CD GLN A 67 12.597 -8.007 2.725 1.00 0.00 C ATOM 940 OE1 GLN A 67 12.573 -9.077 3.309 1.00 0.00 O ATOM 941 NE2 GLN A 67 13.649 -7.193 2.704 1.00 0.00 N ATOM 0 H GLN A 67 7.853 -5.730 2.111 1.00 0.00 H new ATOM 0 HA GLN A 67 9.145 -8.330 2.647 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.417 -5.639 2.485 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.871 -6.634 3.854 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.841 -8.321 1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.733 -6.867 1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.601 -6.311 2.195 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.504 -7.451 3.197 1.00 0.00 H new ATOM 948 N VAL A 68 8.967 -7.881 5.202 1.00 0.00 N ATOM 949 CA VAL A 68 8.470 -7.846 6.566 1.00 0.00 C ATOM 950 C VAL A 68 9.654 -7.820 7.536 1.00 0.00 C ATOM 951 O VAL A 68 10.423 -8.777 7.608 1.00 0.00 O ATOM 952 CB VAL A 68 7.525 -9.025 6.810 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.240 -9.200 8.303 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.226 -8.857 6.020 1.00 0.00 C ATOM 0 H VAL A 68 9.743 -8.525 5.047 1.00 0.00 H new ATOM 0 HA VAL A 68 7.889 -6.940 6.736 1.00 0.00 H new ATOM 0 HB VAL A 68 8.019 -9.930 6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.566 -10.044 8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.174 -9.386 8.832 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.776 -8.294 8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.572 -9.708 6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.727 -7.939 6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.452 -8.805 4.955 1.00 0.00 H new ATOM 964 N LYS A 69 9.764 -6.713 8.255 1.00 0.00 N ATOM 965 CA LYS A 69 10.841 -6.549 9.216 1.00 0.00 C ATOM 966 C LYS A 69 11.067 -7.871 9.953 1.00 0.00 C ATOM 967 O LYS A 69 10.128 -8.639 10.161 1.00 0.00 O ATOM 968 CB LYS A 69 10.555 -5.369 10.147 1.00 0.00 C ATOM 969 CG LYS A 69 11.855 -4.708 10.609 1.00 0.00 C ATOM 970 CD LYS A 69 12.561 -5.563 11.664 1.00 0.00 C ATOM 971 CE LYS A 69 12.797 -4.766 12.947 1.00 0.00 C ATOM 972 NZ LYS A 69 13.709 -5.502 13.853 1.00 0.00 N ATOM 0 H LYS A 69 9.125 -5.921 8.191 1.00 0.00 H new ATOM 0 HA LYS A 69 11.772 -6.304 8.705 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.934 -4.637 9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.990 -5.713 11.013 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.515 -4.560 9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.639 -3.722 11.020 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.959 -6.445 11.885 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.514 -5.918 11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.223 -3.792 12.704 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.847 -4.582 13.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.399 -5.374 14.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.693 -6.514 13.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.676 -5.136 13.744 1.00 0.00 H new ATOM 982 N GLU A 70 12.318 -8.098 10.327 1.00 0.00 N ATOM 983 CA GLU A 70 12.679 -9.313 11.037 1.00 0.00 C ATOM 984 C GLU A 70 12.615 -9.085 12.548 1.00 0.00 C ATOM 985 O GLU A 70 13.637 -8.833 13.185 1.00 0.00 O ATOM 986 CB GLU A 70 14.065 -9.803 10.613 1.00 0.00 C ATOM 987 CG GLU A 70 14.249 -11.285 10.947 1.00 0.00 C ATOM 988 CD GLU A 70 15.136 -11.465 12.180 1.00 0.00 C ATOM 989 OE1 GLU A 70 16.154 -10.744 12.258 1.00 0.00 O ATOM 990 OE2 GLU A 70 14.776 -12.319 13.019 1.00 0.00 O ATOM 0 H GLU A 70 13.094 -7.460 10.151 1.00 0.00 H new ATOM 0 HA GLU A 70 11.960 -10.090 10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.197 -9.649 9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.832 -9.215 11.117 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.277 -11.745 11.124 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.695 -11.800 10.096 1.00 0.00 H new ATOM 995 N GLY A 71 11.405 -9.185 13.078 1.00 0.00 N ATOM 996 CA GLY A 71 11.194 -8.992 14.502 1.00 0.00 C ATOM 997 C GLY A 71 10.560 -7.629 14.784 1.00 0.00 C ATOM 998 O GLY A 71 10.763 -7.054 15.854 1.00 0.00 O ATOM 0 H GLY A 71 10.561 -9.397 12.547 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.551 -9.783 14.888 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.146 -9.070 15.028 1.00 0.00 H new ATOM 1002 N GLY A 72 9.805 -7.150 13.806 1.00 0.00 N ATOM 1003 CA GLY A 72 9.140 -5.864 13.936 1.00 0.00 C ATOM 1004 C GLY A 72 7.679 -6.042 14.356 1.00 0.00 C ATOM 1005 O GLY A 72 7.322 -7.052 14.957 1.00 0.00 O ATOM 0 H GLY A 72 9.639 -7.629 12.921 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.662 -5.253 14.673 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.187 -5.329 12.988 1.00 0.00 H new ATOM 1009 N PRO A 73 6.854 -5.016 14.013 1.00 0.00 N ATOM 1010 CA PRO A 73 5.440 -5.051 14.347 1.00 0.00 C ATOM 1011 C PRO A 73 4.682 -6.013 13.431 1.00 0.00 C ATOM 1012 O PRO A 73 4.209 -7.057 13.877 1.00 0.00 O ATOM 1013 CB PRO A 73 4.971 -3.611 14.216 1.00 0.00 C ATOM 1014 CG PRO A 73 6.017 -2.908 13.366 1.00 0.00 C ATOM 1015 CD PRO A 73 7.243 -3.804 13.300 1.00 0.00 C ATOM 0 HA PRO A 73 5.254 -5.427 15.353 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.989 -3.561 13.747 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.881 -3.139 15.194 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.630 -2.717 12.365 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.274 -1.941 13.799 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.519 -4.023 12.268 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.106 -3.329 13.767 1.00 0.00 H new ATOM 1020 N ALA A 74 4.592 -5.629 12.166 1.00 0.00 N ATOM 1021 CA ALA A 74 3.899 -6.444 11.184 1.00 0.00 C ATOM 1022 C ALA A 74 4.348 -7.899 11.330 1.00 0.00 C ATOM 1023 O ALA A 74 3.528 -8.815 11.265 1.00 0.00 O ATOM 1024 CB ALA A 74 4.163 -5.890 9.783 1.00 0.00 C ATOM 0 H ALA A 74 4.988 -4.764 11.799 1.00 0.00 H new ATOM 0 HA ALA A 74 2.822 -6.412 11.349 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.643 -6.502 9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.801 -4.864 9.723 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.234 -5.909 9.580 1.00 0.00 H new ATOM 1030 N PHE A 75 5.648 -8.069 11.522 1.00 0.00 N ATOM 1031 CA PHE A 75 6.214 -9.398 11.677 1.00 0.00 C ATOM 1032 C PHE A 75 5.516 -10.164 12.801 1.00 0.00 C ATOM 1033 O PHE A 75 5.396 -11.388 12.741 1.00 0.00 O ATOM 1034 CB PHE A 75 7.689 -9.215 12.041 1.00 0.00 C ATOM 1035 CG PHE A 75 8.413 -10.519 12.383 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.663 -11.435 11.410 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.804 -10.763 13.663 1.00 0.00 C ATOM 1038 CE1 PHE A 75 9.333 -12.645 11.728 1.00 0.00 C ATOM 1039 CE2 PHE A 75 9.474 -11.974 13.981 1.00 0.00 C ATOM 1040 CZ PHE A 75 9.725 -12.889 13.008 1.00 0.00 C ATOM 0 H PHE A 75 6.325 -7.308 11.574 1.00 0.00 H new ATOM 0 HA PHE A 75 6.089 -9.966 10.755 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.201 -8.735 11.207 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.761 -8.538 12.892 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.351 -11.242 10.394 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.605 -10.036 14.437 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.532 -13.372 10.954 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.784 -12.168 14.997 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.235 -13.809 13.251 1.00 0.00 H new ATOM 1049 N GLU A 76 5.072 -9.414 13.799 1.00 0.00 N ATOM 1050 CA GLU A 76 4.388 -10.009 14.935 1.00 0.00 C ATOM 1051 C GLU A 76 2.904 -10.206 14.616 1.00 0.00 C ATOM 1052 O GLU A 76 2.375 -11.305 14.770 1.00 0.00 O ATOM 1053 CB GLU A 76 4.571 -9.156 16.192 1.00 0.00 C ATOM 1054 CG GLU A 76 6.053 -8.892 16.464 1.00 0.00 C ATOM 1055 CD GLU A 76 6.551 -9.732 17.642 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.286 -10.954 17.621 1.00 0.00 O ATOM 1057 OE2 GLU A 76 7.185 -9.133 18.538 1.00 0.00 O ATOM 0 H GLU A 76 5.172 -8.400 13.845 1.00 0.00 H new ATOM 0 HA GLU A 76 4.830 -10.986 15.131 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.045 -8.209 16.073 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.125 -9.663 17.048 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.637 -9.125 15.574 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.205 -7.834 16.677 1.00 0.00 H new ATOM 1062 N ALA A 77 2.277 -9.124 14.180 1.00 0.00 N ATOM 1063 CA ALA A 77 0.864 -9.165 13.840 1.00 0.00 C ATOM 1064 C ALA A 77 0.551 -10.487 13.138 1.00 0.00 C ATOM 1065 O ALA A 77 -0.556 -11.010 13.256 1.00 0.00 O ATOM 1066 CB ALA A 77 0.512 -7.950 12.978 1.00 0.00 C ATOM 0 H ALA A 77 2.720 -8.214 14.054 1.00 0.00 H new ATOM 0 HA ALA A 77 0.251 -9.116 14.740 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.547 -7.980 12.722 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.726 -7.036 13.532 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.106 -7.968 12.064 1.00 0.00 H new ATOM 1072 N GLY A 78 1.547 -10.992 12.424 1.00 0.00 N ATOM 1073 CA GLY A 78 1.391 -12.244 11.703 1.00 0.00 C ATOM 1074 C GLY A 78 1.503 -12.025 10.192 1.00 0.00 C ATOM 1075 O GLY A 78 1.286 -12.949 9.410 1.00 0.00 O ATOM 0 H GLY A 78 2.465 -10.557 12.330 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.153 -12.953 12.029 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.423 -12.686 11.939 1.00 0.00 H new ATOM 1079 N LEU A 79 1.841 -10.797 9.829 1.00 0.00 N ATOM 1080 CA LEU A 79 1.985 -10.445 8.426 1.00 0.00 C ATOM 1081 C LEU A 79 3.041 -11.348 7.784 1.00 0.00 C ATOM 1082 O LEU A 79 3.589 -12.232 8.440 1.00 0.00 O ATOM 1083 CB LEU A 79 2.279 -8.952 8.275 1.00 0.00 C ATOM 1084 CG LEU A 79 1.508 -8.225 7.173 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.050 -8.002 7.580 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.201 -6.915 6.791 1.00 0.00 C ATOM 0 H LEU A 79 2.019 -10.033 10.481 1.00 0.00 H new ATOM 0 HA LEU A 79 1.050 -10.617 7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.065 -8.462 9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.346 -8.829 8.086 1.00 0.00 H new ATOM 0 HG LEU A 79 1.503 -8.858 6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.476 -7.483 6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.428 -8.964 7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.014 -7.399 8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.632 -6.418 6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.258 -6.265 7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.208 -7.127 6.431 1.00 0.00 H new ATOM 1097 N CYS A 80 3.293 -11.094 6.508 1.00 0.00 N ATOM 1098 CA CYS A 80 4.272 -11.873 5.769 1.00 0.00 C ATOM 1099 C CYS A 80 4.413 -11.266 4.371 1.00 0.00 C ATOM 1100 O CYS A 80 3.964 -10.148 4.128 1.00 0.00 O ATOM 1101 CB CYS A 80 3.892 -13.355 5.713 1.00 0.00 C ATOM 1102 SG CYS A 80 5.191 -14.365 6.513 1.00 0.00 S ATOM 0 H CYS A 80 2.836 -10.360 5.967 1.00 0.00 H new ATOM 0 HA CYS A 80 5.234 -11.832 6.280 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.937 -13.513 6.214 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.764 -13.667 4.677 1.00 0.00 H new ATOM 0 HG CYS A 80 4.857 -15.620 6.462 1.00 0.00 H new ATOM 1107 N THR A 81 5.039 -12.033 3.490 1.00 0.00 N ATOM 1108 CA THR A 81 5.246 -11.583 2.123 1.00 0.00 C ATOM 1109 C THR A 81 4.265 -12.283 1.180 1.00 0.00 C ATOM 1110 O THR A 81 4.087 -13.497 1.252 1.00 0.00 O ATOM 1111 CB THR A 81 6.713 -11.825 1.763 1.00 0.00 C ATOM 1112 OG1 THR A 81 6.881 -13.232 1.916 1.00 0.00 O ATOM 1113 CG2 THR A 81 7.675 -11.221 2.788 1.00 0.00 C ATOM 0 H THR A 81 5.409 -12.961 3.695 1.00 0.00 H new ATOM 0 HA THR A 81 5.044 -10.517 2.021 1.00 0.00 H new ATOM 0 HB THR A 81 6.919 -11.403 0.779 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.015 -13.679 1.808 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.703 -11.421 2.485 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.517 -10.144 2.845 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.492 -11.667 3.766 1.00 0.00 H new ATOM 1121 N GLY A 82 3.654 -11.485 0.316 1.00 0.00 N ATOM 1122 CA GLY A 82 2.697 -12.011 -0.642 1.00 0.00 C ATOM 1123 C GLY A 82 1.267 -11.627 -0.255 1.00 0.00 C ATOM 1124 O GLY A 82 0.339 -11.801 -1.042 1.00 0.00 O ATOM 0 H GLY A 82 3.804 -10.478 0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.924 -11.627 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.785 -13.096 -0.691 1.00 0.00 H new ATOM 1128 N ASP A 83 1.135 -11.113 0.959 1.00 0.00 N ATOM 1129 CA ASP A 83 -0.166 -10.703 1.461 1.00 0.00 C ATOM 1130 C ASP A 83 -0.504 -9.316 0.916 1.00 0.00 C ATOM 1131 O ASP A 83 0.352 -8.432 0.883 1.00 0.00 O ATOM 1132 CB ASP A 83 -0.166 -10.625 2.989 1.00 0.00 C ATOM 1133 CG ASP A 83 0.105 -11.949 3.705 1.00 0.00 C ATOM 1134 OD1 ASP A 83 -0.742 -12.856 3.561 1.00 0.00 O ATOM 1135 OD2 ASP A 83 1.155 -12.023 4.380 1.00 0.00 O ATOM 0 H ASP A 83 1.907 -10.971 1.610 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.901 -11.441 1.138 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.586 -9.900 3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.132 -10.243 3.318 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.754 -9.164 0.500 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.214 -7.898 -0.042 1.00 0.00 C ATOM 1141 C ARG A 84 -3.078 -7.164 0.986 1.00 0.00 C ATOM 1142 O ARG A 84 -3.814 -7.791 1.745 1.00 0.00 O ATOM 1143 CB ARG A 84 -3.027 -8.111 -1.321 1.00 0.00 C ATOM 1144 CG ARG A 84 -4.281 -8.941 -1.043 1.00 0.00 C ATOM 1145 CD ARG A 84 -5.226 -8.926 -2.246 1.00 0.00 C ATOM 1146 NE ARG A 84 -6.631 -8.998 -1.787 1.00 0.00 N ATOM 1147 CZ ARG A 84 -7.660 -9.346 -2.571 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -7.449 -9.656 -3.857 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -8.903 -9.384 -2.068 1.00 0.00 N ATOM 0 H ARG A 84 -2.462 -9.898 0.528 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.335 -7.298 -0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.311 -7.146 -1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.412 -8.614 -2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.998 -9.968 -0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.796 -8.547 -0.167 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.071 -8.018 -2.829 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.006 -9.768 -2.902 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.828 -8.768 -0.813 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.504 -9.627 -4.240 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.233 -9.921 -4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.064 -9.148 -1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.687 -9.649 -2.665 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.958 -5.845 0.977 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.718 -5.018 1.899 1.00 0.00 C ATOM 1162 C ILE A 85 -5.103 -4.744 1.309 1.00 0.00 C ATOM 1163 O ILE A 85 -5.226 -4.414 0.131 1.00 0.00 O ATOM 1164 CB ILE A 85 -2.938 -3.749 2.249 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.503 -4.084 2.660 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.666 -2.935 3.320 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.483 -5.120 3.785 1.00 0.00 C ATOM 0 H ILE A 85 -2.346 -5.328 0.346 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.870 -5.542 2.843 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.880 -3.126 1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.954 -4.466 1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.993 -3.177 2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.090 -2.039 3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.651 -2.649 2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.776 -3.537 4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.451 -5.340 4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.012 -4.725 4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.972 -6.034 3.447 1.00 0.00 H new ATOM 1178 N ILE A 86 -6.112 -4.893 2.155 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.483 -4.668 1.733 1.00 0.00 C ATOM 1180 C ILE A 86 -8.067 -3.492 2.518 1.00 0.00 C ATOM 1181 O ILE A 86 -8.808 -2.680 1.966 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.302 -5.955 1.857 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.423 -6.389 3.319 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.718 -7.062 0.978 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.318 -7.622 3.452 1.00 0.00 C ATOM 0 H ILE A 86 -6.006 -5.167 3.132 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.516 -4.397 0.678 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.311 -5.754 1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.434 -6.608 3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.833 -5.572 3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.318 -7.966 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.726 -6.742 -0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.693 -7.269 1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.387 -7.910 4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.313 -7.392 3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.892 -8.445 2.878 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.709 -3.435 3.792 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.187 -2.371 4.658 1.00 0.00 C ATOM 1198 C LYS A 87 -7.015 -1.812 5.467 1.00 0.00 C ATOM 1199 O LYS A 87 -5.979 -2.460 5.594 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.351 -2.864 5.521 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.548 -3.261 4.654 1.00 0.00 C ATOM 1202 CD LYS A 87 -11.020 -4.678 4.987 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.578 -5.376 3.744 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.431 -6.521 4.133 1.00 0.00 N ATOM 0 H LYS A 87 -7.093 -4.109 4.246 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.587 -1.548 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.030 -3.718 6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.647 -2.081 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.364 -2.556 4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.274 -3.203 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.189 -5.256 5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.787 -4.637 5.761 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.157 -4.668 3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.758 -5.723 3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.802 -6.984 3.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.868 -7.203 4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.224 -6.182 4.714 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.220 -0.612 5.992 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.194 0.042 6.785 1.00 0.00 C ATOM 1216 C VAL A 88 -6.854 1.009 7.769 1.00 0.00 C ATOM 1217 O VAL A 88 -7.611 1.891 7.366 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.178 0.725 5.866 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.280 1.680 6.654 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.345 -0.309 5.105 1.00 0.00 C ATOM 0 H VAL A 88 -8.081 -0.077 5.883 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.641 -0.691 7.372 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.731 1.314 5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.568 2.152 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.892 2.447 7.128 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.739 1.123 7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.631 0.203 4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.807 -0.937 5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.003 -0.930 4.498 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.544 0.811 9.041 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.098 1.655 10.088 1.00 0.00 C ATOM 1232 C ASN A 89 -8.618 1.720 9.931 1.00 0.00 C ATOM 1233 O ASN A 89 -9.227 2.760 10.179 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.551 3.080 9.992 1.00 0.00 C ATOM 1235 CG ASN A 89 -5.141 3.168 10.579 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -4.732 2.362 11.400 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.424 4.187 10.115 1.00 0.00 N ATOM 0 H ASN A 89 -5.916 0.078 9.372 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.820 1.226 11.051 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.535 3.397 8.949 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.213 3.764 10.523 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.470 4.332 10.446 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.828 4.824 9.428 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.188 0.596 9.521 1.00 0.00 N ATOM 1244 CA GLY A 90 -10.625 0.513 9.328 1.00 0.00 C ATOM 1245 C GLY A 90 -11.085 1.446 8.207 1.00 0.00 C ATOM 1246 O GLY A 90 -12.279 1.694 8.049 1.00 0.00 O ATOM 0 H GLY A 90 -8.680 -0.265 9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.904 -0.513 9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.135 0.774 10.255 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.112 1.936 7.453 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.399 2.835 6.350 1.00 0.00 C ATOM 1252 C GLU A 91 -10.511 2.050 5.041 1.00 0.00 C ATOM 1253 O GLU A 91 -9.591 1.326 4.667 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.336 3.930 6.242 1.00 0.00 C ATOM 1255 CG GLU A 91 -9.974 5.320 6.278 1.00 0.00 C ATOM 1256 CD GLU A 91 -9.129 6.290 7.106 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -7.999 5.895 7.465 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -9.633 7.405 7.363 1.00 0.00 O ATOM 0 H GLU A 91 -9.123 1.726 7.585 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.355 3.321 6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.623 3.832 7.061 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.775 3.807 5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.081 5.701 5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.976 5.253 6.701 1.00 0.00 H new ATOM 1263 N SER A 92 -11.648 2.222 4.381 1.00 0.00 N ATOM 1264 CA SER A 92 -11.893 1.539 3.121 1.00 0.00 C ATOM 1265 C SER A 92 -10.991 2.116 2.030 1.00 0.00 C ATOM 1266 O SER A 92 -11.195 3.244 1.582 1.00 0.00 O ATOM 1267 CB SER A 92 -13.362 1.651 2.711 1.00 0.00 C ATOM 1268 OG SER A 92 -14.044 2.670 3.439 1.00 0.00 O ATOM 0 H SER A 92 -12.409 2.824 4.695 1.00 0.00 H new ATOM 0 HA SER A 92 -11.661 0.482 3.253 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.425 1.864 1.644 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.858 0.694 2.875 1.00 0.00 H new ATOM 0 HG SER A 92 -14.979 2.711 3.147 1.00 0.00 H new ATOM 1273 N VAL A 93 -10.013 1.315 1.631 1.00 0.00 N ATOM 1274 CA VAL A 93 -9.078 1.733 0.599 1.00 0.00 C ATOM 1275 C VAL A 93 -9.300 0.885 -0.655 1.00 0.00 C ATOM 1276 O VAL A 93 -8.398 0.742 -1.481 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.646 1.655 1.127 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -7.471 2.534 2.368 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -7.247 0.207 1.421 1.00 0.00 C ATOM 0 H VAL A 93 -9.848 0.380 2.003 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.251 2.773 0.324 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.982 2.034 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.443 2.461 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.694 3.570 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.151 2.198 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.224 0.180 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.919 -0.210 2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.314 -0.382 0.506 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.505 0.344 -0.762 1.00 0.00 N ATOM 1290 CA ILE A 94 -10.855 -0.486 -1.901 1.00 0.00 C ATOM 1291 C ILE A 94 -10.813 0.360 -3.174 1.00 0.00 C ATOM 1292 O ILE A 94 -10.484 -0.144 -4.248 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.201 -1.177 -1.666 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -12.141 -2.095 -0.444 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -12.659 -1.924 -2.921 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -12.459 -1.320 0.838 1.00 0.00 C ATOM 0 H ILE A 94 -11.251 0.465 -0.077 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.128 -1.288 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.946 -0.410 -1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.850 -2.914 -0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.149 -2.541 -0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.617 -2.406 -2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -12.767 -1.219 -3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -11.919 -2.680 -3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -12.410 -1.995 1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.733 -0.517 0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.461 -0.896 0.768 1.00 0.00 H new ATOM 1307 N GLY A 95 -11.149 1.631 -3.014 1.00 0.00 N ATOM 1308 CA GLY A 95 -11.152 2.552 -4.139 1.00 0.00 C ATOM 1309 C GLY A 95 -10.179 3.708 -3.904 1.00 0.00 C ATOM 1310 O GLY A 95 -10.366 4.800 -4.436 1.00 0.00 O ATOM 0 H GLY A 95 -11.421 2.046 -2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.877 2.020 -5.050 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.158 2.944 -4.290 1.00 0.00 H new ATOM 1314 N LYS A 96 -9.159 3.428 -3.104 1.00 0.00 N ATOM 1315 CA LYS A 96 -8.156 4.431 -2.792 1.00 0.00 C ATOM 1316 C LYS A 96 -6.877 4.128 -3.574 1.00 0.00 C ATOM 1317 O LYS A 96 -6.802 3.126 -4.285 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.944 4.524 -1.280 1.00 0.00 C ATOM 1319 CG LYS A 96 -9.080 5.304 -0.613 1.00 0.00 C ATOM 1320 CD LYS A 96 -8.817 5.485 0.883 1.00 0.00 C ATOM 1321 CE LYS A 96 -9.817 6.464 1.501 1.00 0.00 C ATOM 1322 NZ LYS A 96 -11.205 6.008 1.263 1.00 0.00 N ATOM 0 H LYS A 96 -9.007 2.521 -2.663 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.495 5.419 -3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.888 3.522 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.992 5.012 -1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.184 6.279 -1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.023 4.776 -0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.887 4.521 1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.802 5.852 1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.635 6.551 2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.676 7.456 1.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.829 6.397 1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.523 6.337 0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.239 4.969 1.294 1.00 0.00 H new ATOM 1332 N THR A 97 -5.902 5.011 -3.417 1.00 0.00 N ATOM 1333 CA THR A 97 -4.629 4.850 -4.101 1.00 0.00 C ATOM 1334 C THR A 97 -3.517 4.551 -3.094 1.00 0.00 C ATOM 1335 O THR A 97 -3.785 4.336 -1.912 1.00 0.00 O ATOM 1336 CB THR A 97 -4.375 6.111 -4.929 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.196 5.809 -5.668 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.977 7.309 -4.065 1.00 0.00 C ATOM 0 H THR A 97 -5.967 5.840 -2.827 1.00 0.00 H new ATOM 0 HA THR A 97 -4.649 3.997 -4.779 1.00 0.00 H new ATOM 0 HB THR A 97 -5.271 6.357 -5.499 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.463 6.384 -5.364 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.808 8.177 -4.702 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.776 7.528 -3.357 1.00 0.00 H new ATOM 0 HG23 THR A 97 -3.062 7.076 -3.519 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.291 4.544 -3.598 1.00 0.00 N ATOM 1347 CA TYR A 98 -1.138 4.275 -2.756 1.00 0.00 C ATOM 1348 C TYR A 98 -0.845 5.458 -1.831 1.00 0.00 C ATOM 1349 O TYR A 98 -0.819 5.303 -0.611 1.00 0.00 O ATOM 1350 CB TYR A 98 0.043 4.084 -3.710 1.00 0.00 C ATOM 1351 CG TYR A 98 1.298 3.516 -3.043 1.00 0.00 C ATOM 1352 CD1 TYR A 98 1.277 2.244 -2.506 1.00 0.00 C ATOM 1353 CD2 TYR A 98 2.448 4.275 -2.976 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.456 1.709 -1.878 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.627 3.740 -2.347 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.574 2.484 -1.828 1.00 0.00 C ATOM 1357 OH TYR A 98 4.688 1.978 -1.234 1.00 0.00 O ATOM 0 H TYR A 98 -2.072 4.720 -4.578 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.316 3.401 -2.129 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.260 3.417 -4.517 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.289 5.044 -4.164 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.376 1.651 -2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.464 5.270 -3.395 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.454 0.715 -1.456 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.534 4.323 -2.288 1.00 0.00 H new ATOM 0 HH TYR A 98 5.409 2.641 -1.272 1.00 0.00 H new ATOM 1366 N SER A 99 -0.634 6.611 -2.447 1.00 0.00 N ATOM 1367 CA SER A 99 -0.343 7.819 -1.693 1.00 0.00 C ATOM 1368 C SER A 99 -1.399 8.024 -0.605 1.00 0.00 C ATOM 1369 O SER A 99 -1.151 8.712 0.383 1.00 0.00 O ATOM 1370 CB SER A 99 -0.285 9.041 -2.612 1.00 0.00 C ATOM 1371 OG SER A 99 0.273 10.176 -1.957 1.00 0.00 O ATOM 0 H SER A 99 -0.659 6.735 -3.459 1.00 0.00 H new ATOM 0 HA SER A 99 0.634 7.703 -1.225 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.309 8.803 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.290 9.281 -2.960 1.00 0.00 H new ATOM 0 HG SER A 99 0.294 10.934 -2.577 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.554 7.411 -0.824 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.648 7.517 0.125 1.00 0.00 C ATOM 1378 C GLN A 100 -3.400 6.602 1.327 1.00 0.00 C ATOM 1379 O GLN A 100 -3.122 7.076 2.426 1.00 0.00 O ATOM 1380 CB GLN A 100 -4.987 7.195 -0.541 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.519 8.403 -1.315 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.854 8.080 -1.987 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -6.925 7.359 -2.971 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -7.906 8.649 -1.405 1.00 0.00 N ATOM 0 H GLN A 100 -2.755 6.840 -1.645 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.695 8.547 0.480 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.866 6.349 -1.218 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.711 6.896 0.217 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.644 9.247 -0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.792 8.705 -2.069 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.777 9.241 -0.585 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.842 8.493 -1.779 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.509 5.305 1.074 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.300 4.320 2.120 1.00 0.00 C ATOM 1393 C VAL A 101 -1.992 4.627 2.852 1.00 0.00 C ATOM 1394 O VAL A 101 -1.841 4.297 4.027 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.335 2.910 1.526 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -4.732 2.569 1.004 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.285 2.755 0.424 1.00 0.00 C ATOM 0 H VAL A 101 -3.739 4.915 0.160 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.103 4.369 2.855 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.094 2.205 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.729 1.562 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.449 2.621 1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.015 3.281 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.330 1.744 0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.483 3.474 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.293 2.936 0.838 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.081 5.258 2.126 1.00 0.00 N ATOM 1408 CA ILE A 102 0.210 5.614 2.691 1.00 0.00 C ATOM 1409 C ILE A 102 0.002 6.590 3.850 1.00 0.00 C ATOM 1410 O ILE A 102 0.499 6.367 4.954 1.00 0.00 O ATOM 1411 CB ILE A 102 1.145 6.144 1.602 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.683 5.001 0.739 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.270 6.985 2.205 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.815 4.261 1.453 1.00 0.00 C ATOM 0 H ILE A 102 -1.211 5.532 1.152 1.00 0.00 H new ATOM 0 HA ILE A 102 0.703 4.732 3.100 1.00 0.00 H new ATOM 0 HB ILE A 102 0.570 6.799 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.877 4.304 0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.044 5.396 -0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.919 7.349 1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.843 7.833 2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.851 6.374 2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.179 3.454 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.629 4.955 1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.444 3.846 2.390 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.734 7.654 3.562 1.00 0.00 N ATOM 1426 CA ALA A 103 -1.015 8.666 4.566 1.00 0.00 C ATOM 1427 C ALA A 103 -1.659 8.003 5.787 1.00 0.00 C ATOM 1428 O ALA A 103 -1.435 8.429 6.919 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.901 9.756 3.961 1.00 0.00 C ATOM 0 H ALA A 103 -1.145 7.837 2.646 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.092 9.143 4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.111 10.514 4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.387 10.216 3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.837 9.315 3.619 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.442 6.970 5.514 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.118 6.244 6.575 1.00 0.00 C ATOM 1437 C LEU A 104 -2.077 5.586 7.482 1.00 0.00 C ATOM 1438 O LEU A 104 -2.218 5.597 8.704 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.132 5.260 5.989 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.326 5.880 5.259 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.325 4.804 4.828 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -5.985 6.967 6.112 1.00 0.00 C ATOM 0 H LEU A 104 -2.623 6.619 4.574 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.695 6.929 7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.610 4.601 5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.511 4.635 6.798 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.960 6.360 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.163 5.272 4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.834 4.099 4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.691 4.274 5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.830 7.392 5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.335 6.532 7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.259 7.752 6.325 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.054 5.030 6.850 1.00 0.00 N ATOM 1454 CA ILE A 105 0.011 4.369 7.584 1.00 0.00 C ATOM 1455 C ILE A 105 0.862 5.422 8.298 1.00 0.00 C ATOM 1456 O ILE A 105 1.521 5.123 9.293 1.00 0.00 O ATOM 1457 CB ILE A 105 0.813 3.455 6.657 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.065 2.335 6.095 1.00 0.00 C ATOM 1459 CG2 ILE A 105 2.056 2.910 7.366 1.00 0.00 C ATOM 1460 CD1 ILE A 105 0.200 2.126 4.604 1.00 0.00 C ATOM 0 H ILE A 105 -0.940 5.024 5.836 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.404 3.718 8.354 1.00 0.00 H new ATOM 0 HB ILE A 105 1.159 4.047 5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.130 1.409 6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.116 2.579 6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.609 2.263 6.685 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.692 3.740 7.675 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.753 2.339 8.244 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.437 1.324 4.230 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.020 3.046 4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.246 1.858 4.454 1.00 0.00 H new ATOM 1471 N GLN A 106 0.819 6.633 7.762 1.00 0.00 N ATOM 1472 CA GLN A 106 1.578 7.732 8.334 1.00 0.00 C ATOM 1473 C GLN A 106 0.728 8.486 9.360 1.00 0.00 C ATOM 1474 O GLN A 106 1.261 9.206 10.202 1.00 0.00 O ATOM 1475 CB GLN A 106 2.085 8.675 7.242 1.00 0.00 C ATOM 1476 CG GLN A 106 3.005 7.941 6.266 1.00 0.00 C ATOM 1477 CD GLN A 106 4.193 8.818 5.864 1.00 0.00 C ATOM 1478 OE1 GLN A 106 4.511 9.806 6.504 1.00 0.00 O ATOM 1479 NE2 GLN A 106 4.826 8.403 4.771 1.00 0.00 N ATOM 0 H GLN A 106 0.270 6.877 6.938 1.00 0.00 H new ATOM 0 HA GLN A 106 2.449 7.320 8.845 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.239 9.098 6.701 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.622 9.508 7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.367 7.021 6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.443 7.655 5.377 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.506 7.566 4.283 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.631 8.921 4.420 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.579 8.293 9.256 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.506 8.946 10.164 1.00 0.00 C ATOM 1488 C ASN A 107 -2.039 7.919 11.166 1.00 0.00 C ATOM 1489 O ASN A 107 -3.083 8.131 11.780 1.00 0.00 O ATOM 1490 CB ASN A 107 -2.700 9.528 9.404 1.00 0.00 C ATOM 1491 CG ASN A 107 -2.373 10.915 8.849 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -2.008 11.830 9.568 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -2.523 11.019 7.532 1.00 0.00 N ATOM 0 H ASN A 107 -1.018 7.694 8.557 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.973 9.750 10.671 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.976 8.861 8.587 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -3.562 9.592 10.068 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -2.329 11.905 7.065 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.832 10.213 6.989 1.00 0.00 H new ATOM 1499 N SER A 108 -1.296 6.830 11.300 1.00 0.00 N ATOM 1500 CA SER A 108 -1.679 5.772 12.217 1.00 0.00 C ATOM 1501 C SER A 108 -1.443 6.220 13.661 1.00 0.00 C ATOM 1502 O SER A 108 -1.803 5.512 14.601 1.00 0.00 O ATOM 1503 CB SER A 108 -0.905 4.484 11.929 1.00 0.00 C ATOM 1504 OG SER A 108 -0.343 4.482 10.619 1.00 0.00 O ATOM 0 H SER A 108 -0.431 6.658 10.788 1.00 0.00 H new ATOM 0 HA SER A 108 -2.740 5.566 12.075 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.110 4.366 12.665 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.571 3.628 12.039 1.00 0.00 H new ATOM 0 HG SER A 108 0.532 4.922 10.638 1.00 0.00 H new ATOM 1509 N ASP A 109 -0.843 7.393 13.793 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.555 7.945 15.106 1.00 0.00 C ATOM 1511 C ASP A 109 0.412 7.016 15.843 1.00 0.00 C ATOM 1512 O ASP A 109 1.617 7.047 15.598 1.00 0.00 O ATOM 1513 CB ASP A 109 -1.828 8.061 15.945 1.00 0.00 C ATOM 1514 CG ASP A 109 -1.603 8.392 17.422 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -0.539 8.979 17.716 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -2.500 8.052 18.223 1.00 0.00 O ATOM 0 H ASP A 109 -0.548 7.978 13.011 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.121 8.936 14.968 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.463 8.832 15.509 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.376 7.121 15.878 1.00 0.00 H new ATOM 1520 N THR A 110 -0.151 6.211 16.733 1.00 0.00 N ATOM 1521 CA THR A 110 0.647 5.276 17.508 1.00 0.00 C ATOM 1522 C THR A 110 0.697 3.915 16.812 1.00 0.00 C ATOM 1523 O THR A 110 1.765 3.463 16.400 1.00 0.00 O ATOM 1524 CB THR A 110 0.064 5.215 18.921 1.00 0.00 C ATOM 1525 OG1 THR A 110 0.416 6.469 19.496 1.00 0.00 O ATOM 1526 CG2 THR A 110 0.775 4.186 19.803 1.00 0.00 C ATOM 0 H THR A 110 -1.151 6.187 16.934 1.00 0.00 H new ATOM 0 HA THR A 110 1.683 5.606 17.583 1.00 0.00 H new ATOM 0 HB THR A 110 -0.998 4.974 18.866 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.075 6.515 20.414 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.323 4.183 20.795 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.679 3.196 19.357 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.830 4.445 19.886 1.00 0.00 H new ATOM 1534 N THR A 111 -0.470 3.297 16.702 1.00 0.00 N ATOM 1535 CA THR A 111 -0.573 1.997 16.063 1.00 0.00 C ATOM 1536 C THR A 111 -1.044 2.149 14.617 1.00 0.00 C ATOM 1537 O THR A 111 -1.346 3.255 14.170 1.00 0.00 O ATOM 1538 CB THR A 111 -1.496 1.123 16.914 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.402 2.050 17.505 1.00 0.00 O ATOM 1540 CG2 THR A 111 -0.772 0.496 18.108 1.00 0.00 C ATOM 0 H THR A 111 -1.353 3.674 17.045 1.00 0.00 H new ATOM 0 HA THR A 111 0.399 1.507 16.005 1.00 0.00 H new ATOM 0 HB THR A 111 -1.923 0.335 16.294 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.039 1.568 18.073 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.472 -0.114 18.679 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.046 -0.129 17.750 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.374 1.284 18.747 1.00 0.00 H new ATOM 1548 N LEU A 112 -1.092 1.022 13.921 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.523 1.017 12.534 1.00 0.00 C ATOM 1550 C LEU A 112 -2.188 -0.325 12.215 1.00 0.00 C ATOM 1551 O LEU A 112 -1.509 -1.343 12.086 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.353 1.357 11.608 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.687 1.475 10.119 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.202 0.243 9.350 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -2.181 1.730 9.911 1.00 0.00 C ATOM 0 H LEU A 112 -0.839 0.106 14.292 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.270 1.792 12.365 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.083 2.300 11.938 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.414 0.592 11.728 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.155 2.337 9.716 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.451 0.351 8.294 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.878 0.148 9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.687 -0.648 9.748 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.391 1.810 8.844 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.753 0.904 10.333 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.464 2.658 10.407 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.506 -0.283 12.099 1.00 0.00 N ATOM 1567 CA GLU A 113 -4.270 -1.482 11.799 1.00 0.00 C ATOM 1568 C GLU A 113 -4.257 -1.756 10.293 1.00 0.00 C ATOM 1569 O GLU A 113 -4.345 -0.831 9.489 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.703 -1.365 12.322 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.442 -2.699 12.204 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.951 -2.507 12.368 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.380 -2.361 13.532 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.640 -2.513 11.324 1.00 0.00 O ATOM 0 H GLU A 113 -4.065 0.563 12.207 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.801 -2.325 12.307 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.688 -1.045 13.364 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.237 -0.599 11.760 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.233 -3.150 11.234 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.075 -3.390 12.963 1.00 0.00 H new ATOM 1579 N LEU A 114 -4.148 -3.033 9.958 1.00 0.00 N ATOM 1580 CA LEU A 114 -4.122 -3.442 8.564 1.00 0.00 C ATOM 1581 C LEU A 114 -5.126 -4.576 8.351 1.00 0.00 C ATOM 1582 O LEU A 114 -5.814 -4.986 9.285 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.697 -3.793 8.135 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.700 -2.632 8.101 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.261 -3.146 8.005 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -2.035 -1.655 6.973 1.00 0.00 C ATOM 0 H LEU A 114 -4.077 -3.799 10.628 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.430 -2.619 7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.313 -4.556 8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.738 -4.240 7.142 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.784 -2.083 9.039 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.427 -2.301 7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.039 -3.771 8.870 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.144 -3.733 7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.312 -0.840 6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.997 -2.176 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.036 -1.252 7.126 1.00 0.00 H new ATOM 1597 N SER A 115 -5.179 -5.053 7.116 1.00 0.00 N ATOM 1598 CA SER A 115 -6.087 -6.133 6.768 1.00 0.00 C ATOM 1599 C SER A 115 -5.680 -6.747 5.427 1.00 0.00 C ATOM 1600 O SER A 115 -5.442 -6.029 4.458 1.00 0.00 O ATOM 1601 CB SER A 115 -7.533 -5.637 6.708 1.00 0.00 C ATOM 1602 OG SER A 115 -7.812 -4.677 7.722 1.00 0.00 O ATOM 0 H SER A 115 -4.607 -4.711 6.343 1.00 0.00 H new ATOM 0 HA SER A 115 -6.025 -6.897 7.543 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.724 -5.196 5.730 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.211 -6.484 6.814 1.00 0.00 H new ATOM 0 HG SER A 115 -7.348 -4.929 8.548 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.612 -8.070 5.416 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.239 -8.790 4.211 1.00 0.00 C ATOM 1609 C VAL A 116 -6.264 -9.892 3.939 1.00 0.00 C ATOM 1610 O VAL A 116 -7.307 -9.946 4.590 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.809 -9.323 4.341 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.822 -8.185 4.610 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.720 -10.394 5.429 1.00 0.00 C ATOM 0 H VAL A 116 -5.809 -8.662 6.223 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.247 -8.121 3.351 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.537 -9.786 3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.814 -8.591 4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.855 -7.472 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.092 -7.681 5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.694 -10.756 5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.022 -9.967 6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.380 -11.224 5.178 1.00 0.00 H new ATOM 1623 N MET A 117 -5.933 -10.743 2.981 1.00 0.00 N ATOM 1624 CA MET A 117 -6.812 -11.840 2.617 1.00 0.00 C ATOM 1625 C MET A 117 -6.021 -13.134 2.417 1.00 0.00 C ATOM 1626 O MET A 117 -5.485 -13.380 1.337 1.00 0.00 O ATOM 1627 CB MET A 117 -7.556 -11.492 1.326 1.00 0.00 C ATOM 1628 CG MET A 117 -8.681 -10.491 1.593 1.00 0.00 C ATOM 1629 SD MET A 117 -10.262 -11.315 1.522 1.00 0.00 S ATOM 1630 CE MET A 117 -10.543 -11.601 3.261 1.00 0.00 C ATOM 0 H MET A 117 -5.067 -10.695 2.445 1.00 0.00 H new ATOM 0 HA MET A 117 -7.524 -11.993 3.428 1.00 0.00 H new ATOM 0 HB2 MET A 117 -6.857 -11.074 0.601 1.00 0.00 H new ATOM 0 HB3 MET A 117 -7.969 -12.399 0.885 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.545 -10.031 2.572 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.647 -9.688 0.856 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.554 -11.981 3.409 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.823 -12.331 3.631 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.424 -10.665 3.807 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.972 -13.952 3.503 1.00 0.00 N ATOM 1639 CA PRO A 118 -5.255 -15.214 3.457 1.00 0.00 C ATOM 1640 C PRO A 118 -6.039 -16.261 2.663 1.00 0.00 C ATOM 1641 O PRO A 118 -7.251 -16.139 2.496 1.00 0.00 O ATOM 1642 CB PRO A 118 -5.052 -15.604 4.913 1.00 0.00 C ATOM 1643 CG PRO A 118 -6.060 -14.790 5.708 1.00 0.00 C ATOM 1644 CD PRO A 118 -6.595 -13.695 4.799 1.00 0.00 C ATOM 0 HA PRO A 118 -4.298 -15.135 2.941 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -5.213 -16.672 5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -4.034 -15.388 5.237 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -6.873 -15.426 6.059 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.590 -14.357 6.591 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -7.682 -13.733 4.730 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -6.334 -12.706 5.175 1.00 0.00 H new ATOM 1649 N LYS A 119 -5.314 -17.267 2.195 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.926 -18.335 1.423 1.00 0.00 C ATOM 1651 C LYS A 119 -6.055 -19.582 2.298 1.00 0.00 C ATOM 1652 O LYS A 119 -5.666 -19.570 3.464 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.149 -18.571 0.126 1.00 0.00 C ATOM 1654 CG LYS A 119 -6.046 -18.367 -1.097 1.00 0.00 C ATOM 1655 CD LYS A 119 -5.240 -18.477 -2.393 1.00 0.00 C ATOM 1656 CE LYS A 119 -5.754 -17.491 -3.444 1.00 0.00 C ATOM 1657 NZ LYS A 119 -6.161 -18.208 -4.673 1.00 0.00 N ATOM 0 H LYS A 119 -4.308 -17.365 2.336 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.934 -18.055 1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.301 -17.888 0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.744 -19.583 0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.843 -19.111 -1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.523 -17.388 -1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.188 -18.280 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.305 -19.494 -2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.601 -16.933 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.977 -16.764 -3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.507 -17.524 -5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.344 -18.721 -5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.918 -18.884 -4.446 1.00 0.00 H new