USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 585 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 14 THR OG1 : rot 36:sc= 0.532 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0494 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.151 K(o=-0.15,f=-5.3!) USER MOD Single : A 21 ASN : amide:sc= -0.326 K(o=-0.33,f=-2.7!) USER MOD Single : A 23 MET CE :methyl 143:sc= -5.17! (180deg=-7.78!) USER MOD Single : A 26 SER OG : rot 130:sc= -2.54 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -102:sc= -0.0251! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.14) USER MOD Single : A 65 SER OG : rot 170:sc= -1.19 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -5.53! C(o=-5.5!,f=-12!) USER MOD Single : A 83 MET CE :methyl -114:sc= -3.01! (180deg=-5.86!) USER MOD Single : A 84 THR OG1 : rot 82:sc= 0.503 USER MOD Single : A 86 THR OG1 : rot -74:sc= -4.34! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 52:sc= 1.1 USER MOD Single : A 91 THR OG1 : rot 111:sc= -3.28! USER MOD ----------------------------------------------------------------- ATOM 153 N GLU A 11 -5.005 -5.530 -7.694 1.00 0.00 N ATOM 154 CA GLU A 11 -4.315 -4.838 -8.767 1.00 0.00 C ATOM 155 C GLU A 11 -3.422 -3.733 -8.199 1.00 0.00 C ATOM 156 O GLU A 11 -3.148 -3.707 -7.001 1.00 0.00 O ATOM 157 CB GLU A 11 -5.309 -4.271 -9.783 1.00 0.00 C ATOM 158 CG GLU A 11 -5.060 -4.852 -11.178 1.00 0.00 C ATOM 159 CD GLU A 11 -5.476 -3.861 -12.266 1.00 0.00 C ATOM 160 OE1 GLU A 11 -6.695 -3.595 -12.356 1.00 0.00 O ATOM 161 OE2 GLU A 11 -4.567 -3.392 -12.986 1.00 0.00 O ATOM 0 HA GLU A 11 -3.683 -5.557 -9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.327 -4.498 -9.467 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.221 -3.185 -9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.004 -5.099 -11.290 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.618 -5.781 -11.294 1.00 0.00 H new ATOM 168 N ILE A 12 -2.995 -2.846 -9.086 1.00 0.00 N ATOM 169 CA ILE A 12 -2.139 -1.742 -8.687 1.00 0.00 C ATOM 170 C ILE A 12 -3.005 -0.528 -8.347 1.00 0.00 C ATOM 171 O ILE A 12 -3.869 -0.138 -9.131 1.00 0.00 O ATOM 172 CB ILE A 12 -1.086 -1.463 -9.762 1.00 0.00 C ATOM 173 CG1 ILE A 12 -0.052 -0.447 -9.270 1.00 0.00 C ATOM 174 CG2 ILE A 12 -1.744 -1.024 -11.073 1.00 0.00 C ATOM 175 CD1 ILE A 12 1.173 -0.425 -10.184 1.00 0.00 C ATOM 0 H ILE A 12 -3.226 -2.870 -10.079 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.581 -2.000 -7.787 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.552 -2.391 -9.964 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.501 0.546 -9.234 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.253 -0.696 -8.254 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.974 -0.832 -11.820 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.407 -1.813 -11.429 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.320 -0.114 -10.904 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.892 0.305 -9.812 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.634 -1.413 -10.199 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.868 -0.152 -11.194 1.00 0.00 H new ATOM 187 N ILE A 13 -2.743 0.035 -7.176 1.00 0.00 N ATOM 188 CA ILE A 13 -3.490 1.198 -6.722 1.00 0.00 C ATOM 189 C ILE A 13 -2.541 2.391 -6.599 1.00 0.00 C ATOM 190 O ILE A 13 -1.375 2.228 -6.241 1.00 0.00 O ATOM 191 CB ILE A 13 -4.247 0.877 -5.432 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.588 -0.612 -5.350 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.486 1.761 -5.289 1.00 0.00 C ATOM 194 CD1 ILE A 13 -5.497 -1.028 -6.511 1.00 0.00 C ATOM 0 H ILE A 13 -2.025 -0.291 -6.529 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.252 1.471 -7.452 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.594 1.102 -4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.671 -1.201 -5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.082 -0.825 -4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.006 1.512 -4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.185 2.808 -5.266 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.152 1.594 -6.135 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.726 -2.091 -6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.423 -0.454 -6.472 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.990 -0.836 -7.457 1.00 0.00 H new ATOM 206 N THR A 14 -3.074 3.563 -6.904 1.00 0.00 N ATOM 207 CA THR A 14 -2.289 4.786 -6.833 1.00 0.00 C ATOM 208 C THR A 14 -2.949 5.789 -5.885 1.00 0.00 C ATOM 209 O THR A 14 -4.075 6.224 -6.119 1.00 0.00 O ATOM 210 CB THR A 14 -2.115 5.319 -8.256 1.00 0.00 C ATOM 211 OG1 THR A 14 -3.448 5.498 -8.726 1.00 0.00 O ATOM 212 CG2 THR A 14 -1.522 4.276 -9.206 1.00 0.00 C ATOM 0 H THR A 14 -4.041 3.694 -7.201 1.00 0.00 H new ATOM 0 HA THR A 14 -1.299 4.597 -6.418 1.00 0.00 H new ATOM 0 HB THR A 14 -1.471 6.198 -8.236 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.017 5.802 -7.988 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.420 4.707 -10.202 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.542 3.968 -8.842 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.181 3.409 -9.252 1.00 0.00 H new ATOM 220 N VAL A 15 -2.220 6.124 -4.831 1.00 0.00 N ATOM 221 CA VAL A 15 -2.719 7.069 -3.846 1.00 0.00 C ATOM 222 C VAL A 15 -1.922 8.370 -3.943 1.00 0.00 C ATOM 223 O VAL A 15 -0.750 8.414 -3.568 1.00 0.00 O ATOM 224 CB VAL A 15 -2.674 6.441 -2.450 1.00 0.00 C ATOM 225 CG1 VAL A 15 -3.937 6.778 -1.657 1.00 0.00 C ATOM 226 CG2 VAL A 15 -2.465 4.928 -2.537 1.00 0.00 C ATOM 0 H VAL A 15 -1.288 5.758 -4.637 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.762 7.313 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.823 6.865 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.880 6.320 -0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.022 7.859 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.811 6.395 -2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.437 4.506 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.286 4.479 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.523 4.719 -3.045 1.00 0.00 H new ATOM 236 N THR A 16 -2.588 9.400 -4.445 1.00 0.00 N ATOM 237 CA THR A 16 -1.955 10.700 -4.597 1.00 0.00 C ATOM 238 C THR A 16 -2.252 11.579 -3.380 1.00 0.00 C ATOM 239 O THR A 16 -3.268 11.398 -2.710 1.00 0.00 O ATOM 240 CB THR A 16 -2.432 11.306 -5.917 1.00 0.00 C ATOM 241 OG1 THR A 16 -2.133 10.304 -6.886 1.00 0.00 O ATOM 242 CG2 THR A 16 -1.585 12.507 -6.348 1.00 0.00 C ATOM 0 H THR A 16 -3.560 9.361 -4.752 1.00 0.00 H new ATOM 0 HA THR A 16 -0.869 10.612 -4.639 1.00 0.00 H new ATOM 0 HB THR A 16 -3.474 11.611 -5.822 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.412 10.613 -7.773 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.965 12.901 -7.291 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.638 13.282 -5.584 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.549 12.194 -6.477 1.00 0.00 H new ATOM 250 N LEU A 17 -1.347 12.516 -3.133 1.00 0.00 N ATOM 251 CA LEU A 17 -1.500 13.426 -2.011 1.00 0.00 C ATOM 252 C LEU A 17 -2.415 14.582 -2.416 1.00 0.00 C ATOM 253 O LEU A 17 -1.991 15.499 -3.114 1.00 0.00 O ATOM 254 CB LEU A 17 -0.130 13.878 -1.499 1.00 0.00 C ATOM 255 CG LEU A 17 0.536 12.963 -0.471 1.00 0.00 C ATOM 256 CD1 LEU A 17 1.043 13.765 0.730 1.00 0.00 C ATOM 257 CD2 LEU A 17 -0.405 11.833 -0.048 1.00 0.00 C ATOM 0 H LEU A 17 -0.506 12.664 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.979 12.919 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.540 13.980 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.238 14.869 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 17 1.404 12.500 -0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.512 13.090 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.772 14.502 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.206 14.275 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.095 11.198 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.306 12.257 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.675 11.238 -0.921 1.00 0.00 H new ATOM 269 N LYS A 18 -3.658 14.496 -1.963 1.00 0.00 N ATOM 270 CA LYS A 18 -4.639 15.523 -2.270 1.00 0.00 C ATOM 271 C LYS A 18 -4.524 16.655 -1.245 1.00 0.00 C ATOM 272 O LYS A 18 -4.393 17.821 -1.616 1.00 0.00 O ATOM 273 CB LYS A 18 -6.040 14.916 -2.360 1.00 0.00 C ATOM 274 CG LYS A 18 -7.054 15.949 -2.858 1.00 0.00 C ATOM 275 CD LYS A 18 -8.368 15.277 -3.258 1.00 0.00 C ATOM 276 CE LYS A 18 -8.410 15.002 -4.763 1.00 0.00 C ATOM 277 NZ LYS A 18 -9.810 14.975 -5.246 1.00 0.00 N ATOM 0 H LYS A 18 -4.008 13.731 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.441 15.958 -3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.027 14.060 -3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.344 14.546 -1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.241 16.686 -2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.642 16.487 -3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.483 14.341 -2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.206 15.915 -2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.850 15.771 -5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.926 14.049 -4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.821 14.787 -6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.334 14.225 -4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.260 15.894 -5.058 1.00 0.00 H new ATOM 291 N LYS A 19 -4.577 16.271 0.021 1.00 0.00 N ATOM 292 CA LYS A 19 -4.481 17.238 1.101 1.00 0.00 C ATOM 293 C LYS A 19 -3.015 17.393 1.514 1.00 0.00 C ATOM 294 O LYS A 19 -2.686 18.244 2.336 1.00 0.00 O ATOM 295 CB LYS A 19 -5.405 16.847 2.255 1.00 0.00 C ATOM 296 CG LYS A 19 -5.542 17.991 3.262 1.00 0.00 C ATOM 297 CD LYS A 19 -6.907 17.956 3.951 1.00 0.00 C ATOM 298 CE LYS A 19 -7.717 19.213 3.630 1.00 0.00 C ATOM 299 NZ LYS A 19 -7.853 20.064 4.834 1.00 0.00 N ATOM 0 H LYS A 19 -4.685 15.303 0.324 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.824 18.217 0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.388 16.582 1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.012 15.962 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.752 17.919 4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.412 18.946 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.458 17.072 3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.772 17.872 5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.228 19.774 2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.704 18.933 3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.406 20.913 4.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.340 19.531 5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.909 20.347 5.168 1.00 0.00 H new ATOM 313 N GLN A 20 -2.176 16.556 0.919 1.00 0.00 N ATOM 314 CA GLN A 20 -0.754 16.588 1.214 1.00 0.00 C ATOM 315 C GLN A 20 -0.520 16.461 2.722 1.00 0.00 C ATOM 316 O GLN A 20 0.346 17.134 3.278 1.00 0.00 O ATOM 317 CB GLN A 20 -0.110 17.863 0.667 1.00 0.00 C ATOM 318 CG GLN A 20 -0.193 17.907 -0.861 1.00 0.00 C ATOM 319 CD GLN A 20 1.164 17.589 -1.494 1.00 0.00 C ATOM 320 OE1 GLN A 20 1.520 16.445 -1.717 1.00 0.00 O ATOM 321 NE2 GLN A 20 1.896 18.666 -1.769 1.00 0.00 N ATOM 0 H GLN A 20 -2.454 15.853 0.235 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.282 15.739 0.720 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.609 18.736 1.087 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.933 17.911 0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.937 17.191 -1.209 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.526 18.894 -1.182 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.535 19.596 -1.555 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.818 18.561 -2.193 1.00 0.00 H new ATOM 330 N ASN A 21 -1.309 15.594 3.339 1.00 0.00 N ATOM 331 CA ASN A 21 -1.201 15.370 4.770 1.00 0.00 C ATOM 332 C ASN A 21 -0.182 14.257 5.031 1.00 0.00 C ATOM 333 O ASN A 21 -0.393 13.409 5.897 1.00 0.00 O ATOM 334 CB ASN A 21 -2.540 14.933 5.363 1.00 0.00 C ATOM 335 CG ASN A 21 -3.419 16.144 5.686 1.00 0.00 C ATOM 336 OD1 ASN A 21 -3.004 17.287 5.589 1.00 0.00 O ATOM 337 ND2 ASN A 21 -4.652 15.830 6.072 1.00 0.00 N ATOM 0 H ASN A 21 -2.026 15.038 2.873 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.890 16.306 5.235 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.058 14.281 4.660 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.368 14.352 6.269 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.316 16.568 6.309 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.934 14.852 6.132 1.00 0.00 H new ATOM 344 N GLY A 22 0.899 14.297 4.266 1.00 0.00 N ATOM 345 CA GLY A 22 1.949 13.302 4.404 1.00 0.00 C ATOM 346 C GLY A 22 1.554 11.989 3.727 1.00 0.00 C ATOM 347 O GLY A 22 2.230 11.533 2.805 1.00 0.00 O ATOM 0 H GLY A 22 1.070 15.002 3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.872 13.679 3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.150 13.124 5.461 1.00 0.00 H new ATOM 351 N MET A 23 0.460 11.417 4.210 1.00 0.00 N ATOM 352 CA MET A 23 -0.033 10.165 3.661 1.00 0.00 C ATOM 353 C MET A 23 -1.085 9.540 4.581 1.00 0.00 C ATOM 354 O MET A 23 -2.270 9.517 4.251 1.00 0.00 O ATOM 355 CB MET A 23 1.131 9.191 3.481 1.00 0.00 C ATOM 356 CG MET A 23 1.323 8.829 2.007 1.00 0.00 C ATOM 357 SD MET A 23 2.982 9.236 1.488 1.00 0.00 S ATOM 358 CE MET A 23 3.798 7.683 1.816 1.00 0.00 C ATOM 0 H MET A 23 -0.098 11.797 4.975 1.00 0.00 H new ATOM 0 HA MET A 23 -0.497 10.371 2.696 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.046 9.637 3.871 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.945 8.286 4.060 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.138 7.765 1.858 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.599 9.367 1.395 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.540 7.491 1.041 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.291 7.729 2.787 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.062 6.879 1.820 1.00 0.00 H new ATOM 368 N GLY A 24 -0.612 9.048 5.718 1.00 0.00 N ATOM 369 CA GLY A 24 -1.496 8.426 6.688 1.00 0.00 C ATOM 370 C GLY A 24 -1.848 6.997 6.269 1.00 0.00 C ATOM 371 O GLY A 24 -3.017 6.610 6.295 1.00 0.00 O ATOM 0 H GLY A 24 0.371 9.068 5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.017 8.415 7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.408 9.016 6.786 1.00 0.00 H new ATOM 375 N LEU A 25 -0.820 6.252 5.893 1.00 0.00 N ATOM 376 CA LEU A 25 -1.007 4.875 5.471 1.00 0.00 C ATOM 377 C LEU A 25 -0.276 3.944 6.439 1.00 0.00 C ATOM 378 O LEU A 25 0.609 4.379 7.174 1.00 0.00 O ATOM 379 CB LEU A 25 -0.583 4.701 4.010 1.00 0.00 C ATOM 380 CG LEU A 25 -1.683 4.889 2.963 1.00 0.00 C ATOM 381 CD1 LEU A 25 -1.613 3.799 1.894 1.00 0.00 C ATOM 382 CD2 LEU A 25 -3.061 4.958 3.624 1.00 0.00 C ATOM 0 H LEU A 25 0.147 6.577 5.872 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.063 4.605 5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.217 5.410 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.163 3.702 3.891 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.519 5.842 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.405 3.956 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.645 3.840 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.739 2.822 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.825 5.092 2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.250 4.033 4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.090 5.799 4.317 1.00 0.00 H new ATOM 394 N SER A 26 -0.673 2.680 6.407 1.00 0.00 N ATOM 395 CA SER A 26 -0.066 1.684 7.273 1.00 0.00 C ATOM 396 C SER A 26 0.025 0.342 6.546 1.00 0.00 C ATOM 397 O SER A 26 -0.996 -0.241 6.181 1.00 0.00 O ATOM 398 CB SER A 26 -0.855 1.530 8.574 1.00 0.00 C ATOM 399 OG SER A 26 -0.057 0.996 9.624 1.00 0.00 O ATOM 0 H SER A 26 -1.407 2.323 5.795 1.00 0.00 H new ATOM 0 HA SER A 26 0.939 2.021 7.527 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.248 2.501 8.876 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.712 0.878 8.403 1.00 0.00 H new ATOM 0 HG SER A 26 -0.151 1.555 10.423 1.00 0.00 H new ATOM 405 N ILE A 27 1.256 -0.109 6.352 1.00 0.00 N ATOM 406 CA ILE A 27 1.492 -1.372 5.673 1.00 0.00 C ATOM 407 C ILE A 27 2.338 -2.277 6.571 1.00 0.00 C ATOM 408 O ILE A 27 2.827 -1.844 7.612 1.00 0.00 O ATOM 409 CB ILE A 27 2.102 -1.131 4.290 1.00 0.00 C ATOM 410 CG1 ILE A 27 3.628 -1.250 4.337 1.00 0.00 C ATOM 411 CG2 ILE A 27 1.650 0.214 3.718 1.00 0.00 C ATOM 412 CD1 ILE A 27 4.106 -2.470 3.549 1.00 0.00 C ATOM 0 H ILE A 27 2.100 0.378 6.653 1.00 0.00 H new ATOM 0 HA ILE A 27 0.551 -1.891 5.493 1.00 0.00 H new ATOM 0 HB ILE A 27 1.738 -1.906 3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.080 -0.347 3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.959 -1.329 5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.098 0.360 2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.564 0.224 3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.966 1.017 4.384 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.193 -2.532 3.598 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.672 -3.373 3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.795 -2.376 2.509 1.00 0.00 H new ATOM 424 N VAL A 28 2.485 -3.519 6.133 1.00 0.00 N ATOM 425 CA VAL A 28 3.264 -4.489 6.882 1.00 0.00 C ATOM 426 C VAL A 28 3.813 -5.547 5.924 1.00 0.00 C ATOM 427 O VAL A 28 3.184 -5.862 4.914 1.00 0.00 O ATOM 428 CB VAL A 28 2.414 -5.086 8.006 1.00 0.00 C ATOM 429 CG1 VAL A 28 3.099 -6.306 8.623 1.00 0.00 C ATOM 430 CG2 VAL A 28 2.101 -4.036 9.073 1.00 0.00 C ATOM 0 H VAL A 28 2.077 -3.875 5.269 1.00 0.00 H new ATOM 0 HA VAL A 28 4.118 -4.007 7.357 1.00 0.00 H new ATOM 0 HB VAL A 28 1.470 -5.416 7.572 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.474 -6.711 9.419 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.248 -7.066 7.856 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.065 -6.012 9.034 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.496 -4.486 9.860 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.032 -3.662 9.500 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.552 -3.210 8.621 1.00 0.00 H new ATOM 440 N ALA A 29 4.982 -6.066 6.273 1.00 0.00 N ATOM 441 CA ALA A 29 5.623 -7.081 5.454 1.00 0.00 C ATOM 442 C ALA A 29 6.018 -8.267 6.337 1.00 0.00 C ATOM 443 O ALA A 29 6.513 -8.080 7.448 1.00 0.00 O ATOM 444 CB ALA A 29 6.822 -6.470 4.729 1.00 0.00 C ATOM 0 H ALA A 29 5.501 -5.803 7.111 1.00 0.00 H new ATOM 0 HA ALA A 29 4.936 -7.450 4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.303 -7.232 4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.484 -5.651 4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.535 -6.091 5.461 1.00 0.00 H new ATOM 450 N ALA A 30 5.784 -9.460 5.812 1.00 0.00 N ATOM 451 CA ALA A 30 6.109 -10.675 6.539 1.00 0.00 C ATOM 452 C ALA A 30 7.200 -11.439 5.784 1.00 0.00 C ATOM 453 O ALA A 30 7.414 -11.210 4.595 1.00 0.00 O ATOM 454 CB ALA A 30 4.842 -11.510 6.732 1.00 0.00 C ATOM 0 H ALA A 30 5.373 -9.611 4.891 1.00 0.00 H new ATOM 0 HA ALA A 30 6.497 -10.437 7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.087 -12.421 7.277 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.109 -10.934 7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.426 -11.770 5.759 1.00 0.00 H new ATOM 576 N GLY A 39 5.021 -11.926 2.871 1.00 0.00 N ATOM 577 CA GLY A 39 3.655 -11.484 2.651 1.00 0.00 C ATOM 578 C GLY A 39 3.459 -10.046 3.140 1.00 0.00 C ATOM 579 O GLY A 39 3.643 -9.760 4.322 1.00 0.00 O ATOM 0 HA2 GLY A 39 3.415 -11.547 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.966 -12.147 3.174 1.00 0.00 H new ATOM 583 N ILE A 40 3.089 -9.183 2.206 1.00 0.00 N ATOM 584 CA ILE A 40 2.866 -7.783 2.528 1.00 0.00 C ATOM 585 C ILE A 40 1.362 -7.518 2.611 1.00 0.00 C ATOM 586 O ILE A 40 0.593 -8.018 1.792 1.00 0.00 O ATOM 587 CB ILE A 40 3.597 -6.882 1.530 1.00 0.00 C ATOM 588 CG1 ILE A 40 4.549 -7.694 0.651 1.00 0.00 C ATOM 589 CG2 ILE A 40 4.314 -5.738 2.249 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.216 -6.807 -0.400 1.00 0.00 C ATOM 0 H ILE A 40 2.938 -9.425 1.227 1.00 0.00 H new ATOM 0 HA ILE A 40 3.286 -7.543 3.505 1.00 0.00 H new ATOM 0 HB ILE A 40 2.856 -6.433 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.312 -8.164 1.272 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.000 -8.497 0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.826 -5.112 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.586 -5.137 2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.042 -6.148 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.888 -7.410 -1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.452 -6.358 -1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.784 -6.020 0.096 1.00 0.00 H new ATOM 602 N TYR A 41 0.986 -6.729 3.607 1.00 0.00 N ATOM 603 CA TYR A 41 -0.412 -6.391 3.807 1.00 0.00 C ATOM 604 C TYR A 41 -0.559 -4.965 4.344 1.00 0.00 C ATOM 605 O TYR A 41 0.368 -4.426 4.947 1.00 0.00 O ATOM 606 CB TYR A 41 -0.938 -7.374 4.854 1.00 0.00 C ATOM 607 CG TYR A 41 -0.707 -8.844 4.498 1.00 0.00 C ATOM 608 CD1 TYR A 41 -1.337 -9.396 3.402 1.00 0.00 C ATOM 609 CD2 TYR A 41 0.129 -9.619 5.276 1.00 0.00 C ATOM 610 CE1 TYR A 41 -1.121 -10.779 3.068 1.00 0.00 C ATOM 611 CE2 TYR A 41 0.348 -11.002 4.941 1.00 0.00 C ATOM 612 CZ TYR A 41 -0.289 -11.514 3.855 1.00 0.00 C ATOM 613 OH TYR A 41 -0.084 -12.822 3.538 1.00 0.00 O ATOM 0 H TYR A 41 1.626 -6.314 4.284 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.960 -6.450 2.866 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.458 -7.162 5.810 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.007 -7.207 4.990 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.993 -8.790 2.794 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.619 -9.188 6.136 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.608 -11.223 2.213 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.003 -11.618 5.539 1.00 0.00 H new ATOM 0 HH TYR A 41 0.533 -13.223 4.185 1.00 0.00 H new ATOM 623 N VAL A 42 -1.733 -4.396 4.107 1.00 0.00 N ATOM 624 CA VAL A 42 -2.014 -3.044 4.559 1.00 0.00 C ATOM 625 C VAL A 42 -2.614 -3.096 5.965 1.00 0.00 C ATOM 626 O VAL A 42 -3.631 -3.753 6.186 1.00 0.00 O ATOM 627 CB VAL A 42 -2.914 -2.330 3.549 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.617 -1.133 4.191 1.00 0.00 C ATOM 629 CG2 VAL A 42 -2.123 -1.904 2.313 1.00 0.00 C ATOM 0 H VAL A 42 -2.500 -4.847 3.608 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.094 -2.462 4.620 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.680 -3.035 3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.250 -0.643 3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.230 -1.475 5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.872 -0.426 4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.788 -1.399 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.324 -1.225 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.693 -2.784 1.835 1.00 0.00 H new ATOM 639 N LYS A 43 -1.960 -2.394 6.880 1.00 0.00 N ATOM 640 CA LYS A 43 -2.419 -2.352 8.258 1.00 0.00 C ATOM 641 C LYS A 43 -3.678 -1.488 8.347 1.00 0.00 C ATOM 642 O LYS A 43 -4.640 -1.855 9.020 1.00 0.00 O ATOM 643 CB LYS A 43 -1.289 -1.890 9.182 1.00 0.00 C ATOM 644 CG LYS A 43 -1.712 -1.982 10.652 1.00 0.00 C ATOM 645 CD LYS A 43 -1.131 -0.821 11.461 1.00 0.00 C ATOM 646 CE LYS A 43 -1.123 -1.146 12.956 1.00 0.00 C ATOM 647 NZ LYS A 43 0.264 -1.310 13.444 1.00 0.00 N ATOM 0 H LYS A 43 -1.117 -1.851 6.694 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.694 -3.350 8.599 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.404 -2.504 9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.015 -0.863 8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.800 -1.971 10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.374 -2.929 11.073 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.115 -0.611 11.125 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.718 0.080 11.284 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.618 -0.348 13.510 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.689 -2.059 13.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.251 -1.530 14.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.724 -2.087 12.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.794 -0.429 13.288 1.00 0.00 H new ATOM 661 N SER A 44 -3.629 -0.357 7.657 1.00 0.00 N ATOM 662 CA SER A 44 -4.756 0.562 7.651 1.00 0.00 C ATOM 663 C SER A 44 -4.261 1.993 7.430 1.00 0.00 C ATOM 664 O SER A 44 -3.056 2.238 7.392 1.00 0.00 O ATOM 665 CB SER A 44 -5.549 0.471 8.956 1.00 0.00 C ATOM 666 OG SER A 44 -4.702 0.282 10.084 1.00 0.00 O ATOM 0 H SER A 44 -2.829 -0.057 7.100 1.00 0.00 H new ATOM 0 HA SER A 44 -5.421 0.283 6.834 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.132 1.382 9.090 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.258 -0.355 8.893 1.00 0.00 H new ATOM 0 HG SER A 44 -4.731 -0.657 10.361 1.00 0.00 H new ATOM 672 N VAL A 45 -5.216 2.900 7.288 1.00 0.00 N ATOM 673 CA VAL A 45 -4.894 4.300 7.072 1.00 0.00 C ATOM 674 C VAL A 45 -4.874 5.029 8.417 1.00 0.00 C ATOM 675 O VAL A 45 -5.526 4.601 9.369 1.00 0.00 O ATOM 676 CB VAL A 45 -5.877 4.916 6.074 1.00 0.00 C ATOM 677 CG1 VAL A 45 -5.874 4.140 4.755 1.00 0.00 C ATOM 678 CG2 VAL A 45 -7.285 4.988 6.665 1.00 0.00 C ATOM 0 H VAL A 45 -6.214 2.692 7.318 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.901 4.399 6.634 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.550 5.935 5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.581 4.597 4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.874 4.163 4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.165 3.106 4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.964 5.430 5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.626 3.984 6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.271 5.602 7.565 1.00 0.00 H new ATOM 688 N VAL A 46 -4.116 6.115 8.454 1.00 0.00 N ATOM 689 CA VAL A 46 -4.003 6.907 9.667 1.00 0.00 C ATOM 690 C VAL A 46 -5.315 7.657 9.906 1.00 0.00 C ATOM 691 O VAL A 46 -5.477 8.320 10.929 1.00 0.00 O ATOM 692 CB VAL A 46 -2.790 7.836 9.573 1.00 0.00 C ATOM 693 CG1 VAL A 46 -2.795 8.859 10.710 1.00 0.00 C ATOM 694 CG2 VAL A 46 -1.487 7.039 9.559 1.00 0.00 C ATOM 0 H VAL A 46 -3.574 6.465 7.664 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.836 6.263 10.530 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.858 8.380 8.631 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.923 9.507 10.620 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.702 9.461 10.654 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.764 8.339 11.667 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.642 7.724 9.492 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.408 6.455 10.476 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.480 6.369 8.700 1.00 0.00 H new ATOM 704 N LYS A 47 -6.217 7.529 8.944 1.00 0.00 N ATOM 705 CA LYS A 47 -7.509 8.186 9.037 1.00 0.00 C ATOM 706 C LYS A 47 -7.299 9.679 9.300 1.00 0.00 C ATOM 707 O LYS A 47 -8.123 10.319 9.951 1.00 0.00 O ATOM 708 CB LYS A 47 -8.387 7.495 10.083 1.00 0.00 C ATOM 709 CG LYS A 47 -7.923 7.835 11.501 1.00 0.00 C ATOM 710 CD LYS A 47 -9.077 7.721 12.497 1.00 0.00 C ATOM 711 CE LYS A 47 -8.563 7.363 13.893 1.00 0.00 C ATOM 712 NZ LYS A 47 -9.545 6.512 14.604 1.00 0.00 N ATOM 0 H LYS A 47 -6.078 6.980 8.096 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.049 8.101 8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.424 7.803 9.953 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.354 6.416 9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.117 7.163 11.795 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.518 8.847 11.522 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.622 8.664 12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.781 6.960 12.158 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.610 6.840 13.813 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.380 8.273 14.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.181 6.278 15.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.445 7.024 14.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.699 5.636 14.066 1.00 0.00 H new ATOM 726 N GLY A 48 -6.192 10.188 8.780 1.00 0.00 N ATOM 727 CA GLY A 48 -5.865 11.594 8.950 1.00 0.00 C ATOM 728 C GLY A 48 -4.767 12.023 7.974 1.00 0.00 C ATOM 729 O GLY A 48 -3.971 12.909 8.279 1.00 0.00 O ATOM 0 H GLY A 48 -5.511 9.653 8.241 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.756 12.200 8.790 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.537 11.774 9.974 1.00 0.00 H new ATOM 733 N GLY A 49 -4.761 11.373 6.819 1.00 0.00 N ATOM 734 CA GLY A 49 -3.773 11.676 5.796 1.00 0.00 C ATOM 735 C GLY A 49 -4.449 12.010 4.464 1.00 0.00 C ATOM 736 O GLY A 49 -5.670 11.909 4.341 1.00 0.00 O ATOM 0 H GLY A 49 -5.423 10.639 6.569 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.158 12.517 6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.106 10.824 5.666 1.00 0.00 H new ATOM 740 N ALA A 50 -3.629 12.403 3.502 1.00 0.00 N ATOM 741 CA ALA A 50 -4.132 12.752 2.185 1.00 0.00 C ATOM 742 C ALA A 50 -4.519 11.475 1.435 1.00 0.00 C ATOM 743 O ALA A 50 -5.684 11.286 1.086 1.00 0.00 O ATOM 744 CB ALA A 50 -3.078 13.570 1.435 1.00 0.00 C ATOM 0 H ALA A 50 -2.618 12.488 3.608 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.026 13.370 2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.456 13.832 0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.860 14.481 1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.167 12.981 1.331 1.00 0.00 H new ATOM 750 N ALA A 51 -3.521 10.634 1.211 1.00 0.00 N ATOM 751 CA ALA A 51 -3.743 9.380 0.509 1.00 0.00 C ATOM 752 C ALA A 51 -4.621 8.469 1.369 1.00 0.00 C ATOM 753 O ALA A 51 -5.091 7.432 0.902 1.00 0.00 O ATOM 754 CB ALA A 51 -2.396 8.741 0.169 1.00 0.00 C ATOM 0 H ALA A 51 -2.557 10.795 1.503 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.268 9.552 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.562 7.801 -0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.823 9.416 -0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.842 8.550 1.088 1.00 0.00 H new ATOM 760 N ASP A 52 -4.815 8.888 2.611 1.00 0.00 N ATOM 761 CA ASP A 52 -5.630 8.122 3.540 1.00 0.00 C ATOM 762 C ASP A 52 -7.107 8.420 3.284 1.00 0.00 C ATOM 763 O ASP A 52 -7.906 7.504 3.099 1.00 0.00 O ATOM 764 CB ASP A 52 -5.314 8.500 4.989 1.00 0.00 C ATOM 765 CG ASP A 52 -6.537 8.723 5.880 1.00 0.00 C ATOM 766 OD1 ASP A 52 -7.305 7.749 6.042 1.00 0.00 O ATOM 767 OD2 ASP A 52 -6.678 9.860 6.377 1.00 0.00 O ATOM 0 H ASP A 52 -4.422 9.747 2.996 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.412 7.065 3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.701 7.713 5.429 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.713 9.409 4.989 1.00 0.00 H new ATOM 772 N VAL A 53 -7.426 9.706 3.280 1.00 0.00 N ATOM 773 CA VAL A 53 -8.795 10.137 3.049 1.00 0.00 C ATOM 774 C VAL A 53 -9.133 9.973 1.566 1.00 0.00 C ATOM 775 O VAL A 53 -10.258 9.619 1.218 1.00 0.00 O ATOM 776 CB VAL A 53 -8.982 11.570 3.551 1.00 0.00 C ATOM 777 CG1 VAL A 53 -10.373 12.098 3.192 1.00 0.00 C ATOM 778 CG2 VAL A 53 -8.733 11.661 5.058 1.00 0.00 C ATOM 0 H VAL A 53 -6.760 10.464 3.433 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.492 9.516 3.611 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.245 12.199 3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.481 13.118 3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.498 12.087 2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.132 11.465 3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.873 12.690 5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.435 11.013 5.583 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.713 11.344 5.278 1.00 0.00 H new ATOM 788 N ASP A 54 -8.138 10.241 0.732 1.00 0.00 N ATOM 789 CA ASP A 54 -8.317 10.127 -0.705 1.00 0.00 C ATOM 790 C ASP A 54 -8.266 8.651 -1.105 1.00 0.00 C ATOM 791 O ASP A 54 -9.132 8.171 -1.834 1.00 0.00 O ATOM 792 CB ASP A 54 -7.204 10.860 -1.458 1.00 0.00 C ATOM 793 CG ASP A 54 -7.371 10.900 -2.978 1.00 0.00 C ATOM 794 OD1 ASP A 54 -8.298 11.608 -3.430 1.00 0.00 O ATOM 795 OD2 ASP A 54 -6.568 10.223 -3.656 1.00 0.00 O ATOM 0 H ASP A 54 -7.206 10.536 1.024 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.279 10.570 -0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.147 11.883 -1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.252 10.383 -1.224 1.00 0.00 H new ATOM 800 N GLY A 55 -7.241 7.973 -0.612 1.00 0.00 N ATOM 801 CA GLY A 55 -7.063 6.560 -0.911 1.00 0.00 C ATOM 802 C GLY A 55 -8.173 5.724 -0.270 1.00 0.00 C ATOM 803 O GLY A 55 -8.741 4.843 -0.916 1.00 0.00 O ATOM 0 H GLY A 55 -6.524 8.374 -0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.065 6.409 -1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.092 6.226 -0.545 1.00 0.00 H new ATOM 807 N ARG A 56 -8.447 6.027 0.990 1.00 0.00 N ATOM 808 CA ARG A 56 -9.477 5.313 1.724 1.00 0.00 C ATOM 809 C ARG A 56 -9.322 3.803 1.525 1.00 0.00 C ATOM 810 O ARG A 56 -10.309 3.091 1.349 1.00 0.00 O ATOM 811 CB ARG A 56 -10.874 5.738 1.269 1.00 0.00 C ATOM 812 CG ARG A 56 -11.226 5.112 -0.082 1.00 0.00 C ATOM 813 CD ARG A 56 -11.220 6.163 -1.193 1.00 0.00 C ATOM 814 NE ARG A 56 -12.242 5.830 -2.210 1.00 0.00 N ATOM 815 CZ ARG A 56 -12.403 6.499 -3.360 1.00 0.00 C ATOM 816 NH1 ARG A 56 -11.611 7.541 -3.645 1.00 0.00 N ATOM 817 NH2 ARG A 56 -13.356 6.126 -4.225 1.00 0.00 N ATOM 0 H ARG A 56 -7.973 6.758 1.521 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.360 5.558 2.780 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.610 5.438 2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.921 6.824 1.193 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.511 4.324 -0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.209 4.644 -0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.420 7.149 -0.773 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.235 6.208 -1.657 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.863 5.042 -2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.885 7.825 -2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.733 8.050 -4.520 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.959 5.333 -4.008 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.478 6.636 -5.100 1.00 0.00 H new ATOM 831 N LEU A 57 -8.074 3.358 1.557 1.00 0.00 N ATOM 832 CA LEU A 57 -7.777 1.947 1.381 1.00 0.00 C ATOM 833 C LEU A 57 -8.253 1.174 2.613 1.00 0.00 C ATOM 834 O LEU A 57 -8.282 1.714 3.717 1.00 0.00 O ATOM 835 CB LEU A 57 -6.293 1.748 1.066 1.00 0.00 C ATOM 836 CG LEU A 57 -5.745 2.553 -0.114 1.00 0.00 C ATOM 837 CD1 LEU A 57 -4.232 2.745 0.011 1.00 0.00 C ATOM 838 CD2 LEU A 57 -6.131 1.907 -1.445 1.00 0.00 C ATOM 0 H LEU A 57 -7.257 3.951 1.702 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.318 1.547 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.716 2.004 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.122 0.690 0.869 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.200 3.543 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.867 3.320 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.008 3.280 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.742 1.772 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.729 2.499 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.723 0.897 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.217 1.863 -1.527 1.00 0.00 H new ATOM 850 N ALA A 58 -8.615 -0.080 2.381 1.00 0.00 N ATOM 851 CA ALA A 58 -9.087 -0.933 3.457 1.00 0.00 C ATOM 852 C ALA A 58 -7.893 -1.614 4.126 1.00 0.00 C ATOM 853 O ALA A 58 -6.805 -1.669 3.553 1.00 0.00 O ATOM 854 CB ALA A 58 -10.098 -1.940 2.903 1.00 0.00 C ATOM 0 H ALA A 58 -8.591 -0.525 1.463 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.597 -0.343 4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.453 -2.581 3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.942 -1.406 2.466 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.620 -2.552 2.138 1.00 0.00 H new ATOM 860 N ALA A 59 -8.134 -2.115 5.329 1.00 0.00 N ATOM 861 CA ALA A 59 -7.090 -2.790 6.082 1.00 0.00 C ATOM 862 C ALA A 59 -7.111 -4.283 5.748 1.00 0.00 C ATOM 863 O ALA A 59 -8.139 -4.942 5.899 1.00 0.00 O ATOM 864 CB ALA A 59 -7.284 -2.523 7.575 1.00 0.00 C ATOM 0 H ALA A 59 -9.037 -2.067 5.801 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.108 -2.405 5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.501 -3.029 8.140 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.231 -1.451 7.763 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.258 -2.899 7.888 1.00 0.00 H new ATOM 870 N GLY A 60 -5.966 -4.773 5.299 1.00 0.00 N ATOM 871 CA GLY A 60 -5.840 -6.177 4.944 1.00 0.00 C ATOM 872 C GLY A 60 -5.462 -6.336 3.469 1.00 0.00 C ATOM 873 O GLY A 60 -5.476 -7.445 2.938 1.00 0.00 O ATOM 0 H GLY A 60 -5.116 -4.223 5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.082 -6.648 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.781 -6.692 5.140 1.00 0.00 H new ATOM 877 N ASP A 61 -5.133 -5.211 2.851 1.00 0.00 N ATOM 878 CA ASP A 61 -4.753 -5.213 1.447 1.00 0.00 C ATOM 879 C ASP A 61 -3.351 -5.807 1.305 1.00 0.00 C ATOM 880 O ASP A 61 -2.379 -5.244 1.807 1.00 0.00 O ATOM 881 CB ASP A 61 -4.723 -3.790 0.884 1.00 0.00 C ATOM 882 CG ASP A 61 -5.873 -2.889 1.341 1.00 0.00 C ATOM 883 OD1 ASP A 61 -6.891 -3.455 1.794 1.00 0.00 O ATOM 884 OD2 ASP A 61 -5.706 -1.657 1.226 1.00 0.00 O ATOM 0 H ASP A 61 -5.121 -4.293 3.295 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.487 -5.803 0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.780 -3.323 1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.736 -3.846 -0.205 1.00 0.00 H new ATOM 889 N GLN A 62 -3.289 -6.939 0.619 1.00 0.00 N ATOM 890 CA GLN A 62 -2.021 -7.616 0.405 1.00 0.00 C ATOM 891 C GLN A 62 -1.184 -6.860 -0.629 1.00 0.00 C ATOM 892 O GLN A 62 -1.522 -6.838 -1.813 1.00 0.00 O ATOM 893 CB GLN A 62 -2.242 -9.068 -0.026 1.00 0.00 C ATOM 894 CG GLN A 62 -0.913 -9.822 -0.112 1.00 0.00 C ATOM 895 CD GLN A 62 -1.077 -11.134 -0.883 1.00 0.00 C ATOM 896 OE1 GLN A 62 -0.341 -11.436 -1.808 1.00 0.00 O ATOM 897 NE2 GLN A 62 -2.079 -11.893 -0.453 1.00 0.00 N ATOM 0 H GLN A 62 -4.096 -7.404 0.204 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.474 -7.629 1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.902 -9.566 0.685 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.741 -9.092 -0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.167 -9.197 -0.604 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.543 -10.030 0.892 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.657 -11.580 0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.270 -12.788 -0.903 1.00 0.00 H new ATOM 906 N LEU A 63 -0.108 -6.259 -0.145 1.00 0.00 N ATOM 907 CA LEU A 63 0.781 -5.504 -1.012 1.00 0.00 C ATOM 908 C LEU A 63 1.861 -6.435 -1.564 1.00 0.00 C ATOM 909 O LEU A 63 2.214 -7.427 -0.930 1.00 0.00 O ATOM 910 CB LEU A 63 1.340 -4.284 -0.275 1.00 0.00 C ATOM 911 CG LEU A 63 2.439 -3.507 -1.000 1.00 0.00 C ATOM 912 CD1 LEU A 63 2.036 -2.045 -1.202 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.778 -3.637 -0.268 1.00 0.00 C ATOM 0 H LEU A 63 0.169 -6.279 0.836 1.00 0.00 H new ATOM 0 HA LEU A 63 0.233 -5.109 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.516 -3.601 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.731 -4.614 0.688 1.00 0.00 H new ATOM 0 HG LEU A 63 2.569 -3.944 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.836 -1.515 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.124 -1.998 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.861 -1.579 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.542 -3.075 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.680 -3.242 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.066 -4.687 -0.221 1.00 0.00 H new ATOM 925 N LEU A 64 2.355 -6.082 -2.742 1.00 0.00 N ATOM 926 CA LEU A 64 3.388 -6.874 -3.388 1.00 0.00 C ATOM 927 C LEU A 64 4.367 -5.941 -4.104 1.00 0.00 C ATOM 928 O LEU A 64 5.568 -6.211 -4.146 1.00 0.00 O ATOM 929 CB LEU A 64 2.761 -7.927 -4.303 1.00 0.00 C ATOM 930 CG LEU A 64 1.375 -8.431 -3.896 1.00 0.00 C ATOM 931 CD1 LEU A 64 0.282 -7.470 -4.368 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.140 -9.857 -4.398 1.00 0.00 C ATOM 0 H LEU A 64 2.059 -5.258 -3.266 1.00 0.00 H new ATOM 0 HA LEU A 64 3.962 -7.430 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.694 -7.512 -5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.435 -8.782 -4.355 1.00 0.00 H new ATOM 0 HG LEU A 64 1.329 -8.462 -2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.693 -7.852 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.442 -6.489 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.317 -7.384 -5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.148 -10.191 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.213 -9.877 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.892 -10.521 -3.972 1.00 0.00 H new ATOM 944 N SER A 65 3.820 -4.865 -4.646 1.00 0.00 N ATOM 945 CA SER A 65 4.630 -3.891 -5.358 1.00 0.00 C ATOM 946 C SER A 65 4.597 -2.547 -4.627 1.00 0.00 C ATOM 947 O SER A 65 3.701 -2.297 -3.822 1.00 0.00 O ATOM 948 CB SER A 65 4.149 -3.722 -6.801 1.00 0.00 C ATOM 949 OG SER A 65 3.787 -2.375 -7.088 1.00 0.00 O ATOM 0 H SER A 65 2.825 -4.645 -4.607 1.00 0.00 H new ATOM 0 HA SER A 65 5.656 -4.257 -5.386 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.936 -4.040 -7.485 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.292 -4.373 -6.976 1.00 0.00 H new ATOM 0 HG SER A 65 3.641 -2.274 -8.052 1.00 0.00 H new ATOM 955 N VAL A 66 5.584 -1.719 -4.934 1.00 0.00 N ATOM 956 CA VAL A 66 5.679 -0.407 -4.317 1.00 0.00 C ATOM 957 C VAL A 66 5.867 0.652 -5.404 1.00 0.00 C ATOM 958 O VAL A 66 6.122 0.321 -6.560 1.00 0.00 O ATOM 959 CB VAL A 66 6.798 -0.399 -3.274 1.00 0.00 C ATOM 960 CG1 VAL A 66 8.157 -0.664 -3.927 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.813 0.917 -2.494 1.00 0.00 C ATOM 0 H VAL A 66 6.325 -1.931 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 66 4.757 -0.167 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 66 6.602 -1.205 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.936 -0.653 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.142 -1.638 -4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.363 0.110 -4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.618 0.895 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.972 1.746 -3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.859 1.048 -1.983 1.00 0.00 H new ATOM 971 N ASP A 67 5.732 1.905 -4.994 1.00 0.00 N ATOM 972 CA ASP A 67 5.885 3.015 -5.921 1.00 0.00 C ATOM 973 C ASP A 67 7.363 3.173 -6.280 1.00 0.00 C ATOM 974 O ASP A 67 8.216 3.260 -5.398 1.00 0.00 O ATOM 975 CB ASP A 67 5.408 4.327 -5.290 1.00 0.00 C ATOM 976 CG ASP A 67 5.523 5.555 -6.193 1.00 0.00 C ATOM 977 OD1 ASP A 67 6.212 5.438 -7.230 1.00 0.00 O ATOM 978 OD2 ASP A 67 4.918 6.587 -5.827 1.00 0.00 O ATOM 0 H ASP A 67 5.519 2.176 -4.034 1.00 0.00 H new ATOM 0 HA ASP A 67 5.287 2.801 -6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.367 4.211 -4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.983 4.507 -4.382 1.00 0.00 H new ATOM 983 N GLY A 68 7.622 3.209 -7.580 1.00 0.00 N ATOM 984 CA GLY A 68 8.982 3.356 -8.067 1.00 0.00 C ATOM 985 C GLY A 68 9.738 2.027 -7.994 1.00 0.00 C ATOM 986 O GLY A 68 10.927 1.966 -8.303 1.00 0.00 O ATOM 0 H GLY A 68 6.913 3.139 -8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.967 3.714 -9.097 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.504 4.108 -7.476 1.00 0.00 H new ATOM 990 N ARG A 69 9.017 0.995 -7.580 1.00 0.00 N ATOM 991 CA ARG A 69 9.605 -0.328 -7.461 1.00 0.00 C ATOM 992 C ARG A 69 8.533 -1.405 -7.649 1.00 0.00 C ATOM 993 O ARG A 69 7.541 -1.431 -6.921 1.00 0.00 O ATOM 994 CB ARG A 69 10.270 -0.515 -6.096 1.00 0.00 C ATOM 995 CG ARG A 69 11.769 -0.217 -6.171 1.00 0.00 C ATOM 996 CD ARG A 69 12.438 -0.422 -4.811 1.00 0.00 C ATOM 997 NE ARG A 69 13.910 -0.396 -4.962 1.00 0.00 N ATOM 998 CZ ARG A 69 14.618 -1.343 -5.593 1.00 0.00 C ATOM 999 NH1 ARG A 69 13.994 -2.397 -6.135 1.00 0.00 N ATOM 1000 NH2 ARG A 69 15.950 -1.235 -5.682 1.00 0.00 N ATOM 0 H ARG A 69 8.031 1.049 -7.323 1.00 0.00 H new ATOM 0 HA ARG A 69 10.363 -0.424 -8.238 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.801 0.144 -5.366 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.116 -1.537 -5.749 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.236 -0.867 -6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.923 0.809 -6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.121 0.359 -4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.125 -1.374 -4.382 1.00 0.00 H new ATOM 0 HE ARG A 69 14.418 0.392 -4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.980 -2.479 -6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.533 -3.117 -6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.425 -0.432 -5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.489 -1.956 -6.162 1.00 0.00 H new ATOM 1014 N SER A 70 8.768 -2.265 -8.628 1.00 0.00 N ATOM 1015 CA SER A 70 7.835 -3.339 -8.921 1.00 0.00 C ATOM 1016 C SER A 70 8.197 -4.582 -8.106 1.00 0.00 C ATOM 1017 O SER A 70 8.663 -5.576 -8.658 1.00 0.00 O ATOM 1018 CB SER A 70 7.825 -3.668 -10.415 1.00 0.00 C ATOM 1019 OG SER A 70 7.361 -2.574 -11.200 1.00 0.00 O ATOM 0 H SER A 70 9.592 -2.240 -9.229 1.00 0.00 H new ATOM 0 HA SER A 70 6.834 -3.008 -8.643 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.831 -3.941 -10.733 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.189 -4.536 -10.591 1.00 0.00 H new ATOM 0 HG SER A 70 7.371 -2.824 -12.148 1.00 0.00 H new ATOM 1025 N LEU A 71 7.966 -4.484 -6.804 1.00 0.00 N ATOM 1026 CA LEU A 71 8.263 -5.589 -5.907 1.00 0.00 C ATOM 1027 C LEU A 71 7.561 -6.851 -6.413 1.00 0.00 C ATOM 1028 O LEU A 71 8.209 -7.868 -6.659 1.00 0.00 O ATOM 1029 CB LEU A 71 7.900 -5.220 -4.467 1.00 0.00 C ATOM 1030 CG LEU A 71 8.730 -4.103 -3.832 1.00 0.00 C ATOM 1031 CD1 LEU A 71 8.085 -3.608 -2.537 1.00 0.00 C ATOM 1032 CD2 LEU A 71 10.177 -4.547 -3.619 1.00 0.00 C ATOM 0 H LEU A 71 7.577 -3.658 -6.350 1.00 0.00 H new ATOM 0 HA LEU A 71 9.333 -5.799 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.851 -4.925 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.995 -6.113 -3.849 1.00 0.00 H new ATOM 0 HG LEU A 71 8.751 -3.260 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.696 -2.814 -2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.088 -3.223 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.011 -4.433 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.744 -3.734 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.198 -5.415 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.622 -4.810 -4.579 1.00 0.00 H new ATOM 1044 N VAL A 72 6.247 -6.746 -6.552 1.00 0.00 N ATOM 1045 CA VAL A 72 5.454 -7.868 -7.024 1.00 0.00 C ATOM 1046 C VAL A 72 5.244 -8.858 -5.877 1.00 0.00 C ATOM 1047 O VAL A 72 4.504 -9.829 -6.018 1.00 0.00 O ATOM 1048 CB VAL A 72 6.117 -8.502 -8.248 1.00 0.00 C ATOM 1049 CG1 VAL A 72 6.950 -7.474 -9.016 1.00 0.00 C ATOM 1050 CG2 VAL A 72 6.971 -9.707 -7.846 1.00 0.00 C ATOM 0 H VAL A 72 5.713 -5.902 -6.346 1.00 0.00 H new ATOM 0 HA VAL A 72 4.469 -7.529 -7.345 1.00 0.00 H new ATOM 0 HB VAL A 72 5.327 -8.855 -8.910 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.410 -7.952 -9.881 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.306 -6.660 -9.350 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.728 -7.076 -8.365 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.431 -10.139 -8.734 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.749 -9.386 -7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.341 -10.454 -7.363 1.00 0.00 H new ATOM 1060 N GLY A 73 5.909 -8.577 -4.766 1.00 0.00 N ATOM 1061 CA GLY A 73 5.806 -9.431 -3.595 1.00 0.00 C ATOM 1062 C GLY A 73 7.150 -9.536 -2.873 1.00 0.00 C ATOM 1063 O GLY A 73 7.631 -10.638 -2.607 1.00 0.00 O ATOM 0 H GLY A 73 6.522 -7.769 -4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.054 -9.032 -2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.471 -10.424 -3.893 1.00 0.00 H new ATOM 1067 N LEU A 74 7.721 -8.379 -2.577 1.00 0.00 N ATOM 1068 CA LEU A 74 9.001 -8.326 -1.893 1.00 0.00 C ATOM 1069 C LEU A 74 8.804 -7.730 -0.497 1.00 0.00 C ATOM 1070 O LEU A 74 7.702 -7.311 -0.147 1.00 0.00 O ATOM 1071 CB LEU A 74 10.034 -7.581 -2.739 1.00 0.00 C ATOM 1072 CG LEU A 74 10.596 -8.347 -3.938 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.588 -7.486 -4.722 1.00 0.00 C ATOM 1074 CD2 LEU A 74 11.214 -9.677 -3.500 1.00 0.00 C ATOM 0 H LEU A 74 7.319 -7.468 -2.799 1.00 0.00 H new ATOM 0 HA LEU A 74 9.401 -9.331 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.580 -6.659 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.865 -7.295 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 74 9.770 -8.582 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.973 -8.054 -5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.085 -6.590 -5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.415 -7.200 -4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.606 -10.201 -4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.024 -9.487 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.453 -10.291 -3.019 1.00 0.00 H new ATOM 1086 N SER A 75 9.890 -7.713 0.263 1.00 0.00 N ATOM 1087 CA SER A 75 9.849 -7.175 1.611 1.00 0.00 C ATOM 1088 C SER A 75 9.743 -5.650 1.564 1.00 0.00 C ATOM 1089 O SER A 75 10.175 -5.023 0.599 1.00 0.00 O ATOM 1090 CB SER A 75 11.087 -7.595 2.409 1.00 0.00 C ATOM 1091 OG SER A 75 10.824 -8.710 3.254 1.00 0.00 O ATOM 0 H SER A 75 10.802 -8.063 -0.030 1.00 0.00 H new ATOM 0 HA SER A 75 8.970 -7.579 2.113 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.895 -7.844 1.721 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.431 -6.755 3.013 1.00 0.00 H new ATOM 0 HG SER A 75 11.638 -8.948 3.744 1.00 0.00 H new ATOM 1097 N GLN A 76 9.162 -5.095 2.619 1.00 0.00 N ATOM 1098 CA GLN A 76 8.991 -3.655 2.709 1.00 0.00 C ATOM 1099 C GLN A 76 10.351 -2.966 2.810 1.00 0.00 C ATOM 1100 O GLN A 76 10.443 -1.744 2.698 1.00 0.00 O ATOM 1101 CB GLN A 76 8.098 -3.282 3.894 1.00 0.00 C ATOM 1102 CG GLN A 76 8.810 -3.546 5.222 1.00 0.00 C ATOM 1103 CD GLN A 76 9.646 -2.335 5.645 1.00 0.00 C ATOM 1104 OE1 GLN A 76 10.810 -2.204 5.306 1.00 0.00 O ATOM 1105 NE2 GLN A 76 8.988 -1.462 6.401 1.00 0.00 N ATOM 0 H GLN A 76 8.804 -5.618 3.418 1.00 0.00 H new ATOM 0 HA GLN A 76 8.497 -3.309 1.801 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.822 -2.230 3.828 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.173 -3.858 3.852 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.075 -3.773 5.994 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.453 -4.421 5.127 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.013 -1.634 6.648 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.458 -0.620 6.734 1.00 0.00 H new ATOM 1114 N GLU A 77 11.377 -3.779 3.021 1.00 0.00 N ATOM 1115 CA GLU A 77 12.729 -3.260 3.139 1.00 0.00 C ATOM 1116 C GLU A 77 12.976 -2.172 2.091 1.00 0.00 C ATOM 1117 O GLU A 77 12.974 -0.985 2.412 1.00 0.00 O ATOM 1118 CB GLU A 77 13.761 -4.384 3.014 1.00 0.00 C ATOM 1119 CG GLU A 77 13.492 -5.490 4.035 1.00 0.00 C ATOM 1120 CD GLU A 77 14.598 -5.543 5.091 1.00 0.00 C ATOM 1121 OE1 GLU A 77 14.762 -4.522 5.794 1.00 0.00 O ATOM 1122 OE2 GLU A 77 15.257 -6.603 5.171 1.00 0.00 O ATOM 0 H GLU A 77 11.299 -4.792 3.113 1.00 0.00 H new ATOM 0 HA GLU A 77 12.840 -2.816 4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.732 -4.799 2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.763 -3.981 3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.531 -5.317 4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.424 -6.451 3.526 1.00 0.00 H new ATOM 1129 N ARG A 78 13.180 -2.617 0.860 1.00 0.00 N ATOM 1130 CA ARG A 78 13.426 -1.696 -0.236 1.00 0.00 C ATOM 1131 C ARG A 78 12.323 -0.637 -0.298 1.00 0.00 C ATOM 1132 O ARG A 78 12.590 0.553 -0.138 1.00 0.00 O ATOM 1133 CB ARG A 78 13.487 -2.437 -1.575 1.00 0.00 C ATOM 1134 CG ARG A 78 14.582 -3.504 -1.559 1.00 0.00 C ATOM 1135 CD ARG A 78 14.148 -4.746 -2.341 1.00 0.00 C ATOM 1136 NE ARG A 78 15.223 -5.763 -2.314 1.00 0.00 N ATOM 1137 CZ ARG A 78 15.371 -6.725 -3.237 1.00 0.00 C ATOM 1138 NH1 ARG A 78 14.512 -6.806 -4.262 1.00 0.00 N ATOM 1139 NH2 ARG A 78 16.376 -7.605 -3.132 1.00 0.00 N ATOM 0 H ARG A 78 13.180 -3.603 0.598 1.00 0.00 H new ATOM 0 HA ARG A 78 14.387 -1.215 -0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.523 -2.902 -1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.677 -1.727 -2.380 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.496 -3.098 -1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.811 -3.780 -0.530 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.236 -5.158 -1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.918 -4.475 -3.372 1.00 0.00 H new ATOM 0 HE ARG A 78 15.893 -5.730 -1.546 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.746 -6.137 -4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.624 -7.537 -4.964 1.00 0.00 H new ATOM 0 HH21 ARG A 78 17.028 -7.543 -2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.489 -8.337 -3.834 1.00 0.00 H new ATOM 1153 N ALA A 79 11.107 -1.109 -0.532 1.00 0.00 N ATOM 1154 CA ALA A 79 9.963 -0.217 -0.616 1.00 0.00 C ATOM 1155 C ALA A 79 10.012 0.782 0.541 1.00 0.00 C ATOM 1156 O ALA A 79 10.530 1.889 0.390 1.00 0.00 O ATOM 1157 CB ALA A 79 8.673 -1.040 -0.621 1.00 0.00 C ATOM 0 H ALA A 79 10.889 -2.096 -0.666 1.00 0.00 H new ATOM 0 HA ALA A 79 9.990 0.354 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.815 -0.371 -0.684 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.673 -1.712 -1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.611 -1.624 0.297 1.00 0.00 H new ATOM 1163 N ALA A 80 9.469 0.357 1.672 1.00 0.00 N ATOM 1164 CA ALA A 80 9.446 1.201 2.855 1.00 0.00 C ATOM 1165 C ALA A 80 10.092 2.548 2.528 1.00 0.00 C ATOM 1166 O ALA A 80 9.398 3.513 2.214 1.00 0.00 O ATOM 1167 CB ALA A 80 10.148 0.481 4.009 1.00 0.00 C ATOM 0 H ALA A 80 9.041 -0.561 1.795 1.00 0.00 H new ATOM 0 HA ALA A 80 8.420 1.396 3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.131 1.114 4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.632 -0.456 4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.181 0.272 3.732 1.00 0.00 H new ATOM 1173 N GLU A 81 11.414 2.571 2.615 1.00 0.00 N ATOM 1174 CA GLU A 81 12.161 3.784 2.332 1.00 0.00 C ATOM 1175 C GLU A 81 11.645 4.439 1.049 1.00 0.00 C ATOM 1176 O GLU A 81 11.106 5.544 1.086 1.00 0.00 O ATOM 1177 CB GLU A 81 13.659 3.494 2.234 1.00 0.00 C ATOM 1178 CG GLU A 81 14.445 4.764 1.898 1.00 0.00 C ATOM 1179 CD GLU A 81 15.906 4.637 2.331 1.00 0.00 C ATOM 1180 OE1 GLU A 81 16.671 4.008 1.568 1.00 0.00 O ATOM 1181 OE2 GLU A 81 16.227 5.173 3.414 1.00 0.00 O ATOM 0 H GLU A 81 11.987 1.769 2.877 1.00 0.00 H new ATOM 0 HA GLU A 81 12.011 4.480 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.015 3.081 3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.837 2.739 1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.395 4.953 0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.988 5.620 2.394 1.00 0.00 H new ATOM 1188 N LEU A 82 11.829 3.730 -0.055 1.00 0.00 N ATOM 1189 CA LEU A 82 11.387 4.228 -1.347 1.00 0.00 C ATOM 1190 C LEU A 82 9.862 4.161 -1.420 1.00 0.00 C ATOM 1191 O LEU A 82 9.280 4.326 -2.492 1.00 0.00 O ATOM 1192 CB LEU A 82 12.091 3.478 -2.480 1.00 0.00 C ATOM 1193 CG LEU A 82 12.302 4.265 -3.775 1.00 0.00 C ATOM 1194 CD1 LEU A 82 11.106 5.174 -4.065 1.00 0.00 C ATOM 1195 CD2 LEU A 82 13.618 5.044 -3.737 1.00 0.00 C ATOM 0 H LEU A 82 12.278 2.815 -0.082 1.00 0.00 H new ATOM 0 HA LEU A 82 11.666 5.275 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.064 3.144 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.512 2.584 -2.712 1.00 0.00 H new ATOM 0 HG LEU A 82 12.374 3.554 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.282 5.722 -4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.205 4.569 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.978 5.880 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.742 5.594 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.602 5.744 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.449 4.349 -3.612 1.00 0.00 H new ATOM 1207 N MET A 83 9.253 3.918 -0.267 1.00 0.00 N ATOM 1208 CA MET A 83 7.808 3.827 -0.188 1.00 0.00 C ATOM 1209 C MET A 83 7.238 4.914 0.726 1.00 0.00 C ATOM 1210 O MET A 83 6.037 5.177 0.712 1.00 0.00 O ATOM 1211 CB MET A 83 7.410 2.450 0.348 1.00 0.00 C ATOM 1212 CG MET A 83 5.930 2.162 0.081 1.00 0.00 C ATOM 1213 SD MET A 83 5.620 0.408 0.190 1.00 0.00 S ATOM 1214 CE MET A 83 4.974 0.312 1.851 1.00 0.00 C ATOM 0 H MET A 83 9.737 3.782 0.620 1.00 0.00 H new ATOM 0 HA MET A 83 7.400 3.969 -1.189 1.00 0.00 H new ATOM 0 HB2 MET A 83 8.024 1.682 -0.122 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.606 2.403 1.419 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.311 2.695 0.803 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.652 2.528 -0.907 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.664 -0.254 2.478 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.858 1.318 2.255 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.005 -0.187 1.836 1.00 0.00 H new ATOM 1224 N THR A 84 8.127 5.518 1.501 1.00 0.00 N ATOM 1225 CA THR A 84 7.731 6.569 2.419 1.00 0.00 C ATOM 1226 C THR A 84 7.962 7.945 1.790 1.00 0.00 C ATOM 1227 O THR A 84 7.060 8.780 1.763 1.00 0.00 O ATOM 1228 CB THR A 84 8.493 6.365 3.730 1.00 0.00 C ATOM 1229 OG1 THR A 84 8.566 4.950 3.871 1.00 0.00 O ATOM 1230 CG2 THR A 84 7.692 6.823 4.951 1.00 0.00 C ATOM 0 H THR A 84 9.123 5.298 1.511 1.00 0.00 H new ATOM 0 HA THR A 84 6.664 6.521 2.635 1.00 0.00 H new ATOM 0 HB THR A 84 9.436 6.910 3.691 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.310 4.606 3.334 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.279 6.656 5.854 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.463 7.885 4.858 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.764 6.255 5.011 1.00 0.00 H new ATOM 1238 N ARG A 85 9.177 8.137 1.296 1.00 0.00 N ATOM 1239 CA ARG A 85 9.540 9.395 0.668 1.00 0.00 C ATOM 1240 C ARG A 85 8.738 9.594 -0.620 1.00 0.00 C ATOM 1241 O ARG A 85 9.310 9.652 -1.708 1.00 0.00 O ATOM 1242 CB ARG A 85 11.033 9.439 0.343 1.00 0.00 C ATOM 1243 CG ARG A 85 11.566 10.872 0.405 1.00 0.00 C ATOM 1244 CD ARG A 85 12.896 10.996 -0.340 1.00 0.00 C ATOM 1245 NE ARG A 85 13.688 12.116 0.218 1.00 0.00 N ATOM 1246 CZ ARG A 85 13.388 13.408 0.040 1.00 0.00 C ATOM 1247 NH1 ARG A 85 12.313 13.754 -0.680 1.00 0.00 N ATOM 1248 NH2 ARG A 85 14.162 14.357 0.585 1.00 0.00 N ATOM 0 H ARG A 85 9.922 7.441 1.318 1.00 0.00 H new ATOM 0 HA ARG A 85 9.311 10.195 1.371 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.581 8.813 1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.205 9.026 -0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.836 11.554 -0.031 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.699 11.169 1.445 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.457 10.066 -0.256 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.713 11.163 -1.402 1.00 0.00 H new ATOM 0 HE ARG A 85 14.513 11.889 0.772 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.722 13.033 -1.093 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.085 14.739 -0.815 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.980 14.094 1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.933 15.342 0.449 1.00 0.00 H new ATOM 1262 N THR A 86 7.427 9.696 -0.456 1.00 0.00 N ATOM 1263 CA THR A 86 6.543 9.888 -1.592 1.00 0.00 C ATOM 1264 C THR A 86 6.457 11.371 -1.956 1.00 0.00 C ATOM 1265 O THR A 86 6.683 11.745 -3.106 1.00 0.00 O ATOM 1266 CB THR A 86 5.187 9.268 -1.246 1.00 0.00 C ATOM 1267 OG1 THR A 86 5.108 8.116 -2.083 1.00 0.00 O ATOM 1268 CG2 THR A 86 4.013 10.139 -1.697 1.00 0.00 C ATOM 0 H THR A 86 6.956 9.649 0.447 1.00 0.00 H new ATOM 0 HA THR A 86 6.928 9.389 -2.481 1.00 0.00 H new ATOM 0 HB THR A 86 5.126 9.106 -0.170 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.939 8.394 -3.007 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.075 9.653 -1.427 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.072 11.111 -1.208 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.054 10.274 -2.778 1.00 0.00 H new ATOM 1276 N SER A 87 6.130 12.175 -0.956 1.00 0.00 N ATOM 1277 CA SER A 87 6.012 13.610 -1.157 1.00 0.00 C ATOM 1278 C SER A 87 5.492 13.900 -2.567 1.00 0.00 C ATOM 1279 O SER A 87 6.149 14.592 -3.344 1.00 0.00 O ATOM 1280 CB SER A 87 7.352 14.311 -0.931 1.00 0.00 C ATOM 1281 OG SER A 87 7.440 14.891 0.368 1.00 0.00 O ATOM 0 H SER A 87 5.943 11.861 -0.004 1.00 0.00 H new ATOM 0 HA SER A 87 5.302 14.000 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.163 13.594 -1.064 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.486 15.087 -1.684 1.00 0.00 H new ATOM 0 HG SER A 87 8.311 15.327 0.473 1.00 0.00 H new ATOM 1287 N SER A 88 4.319 13.354 -2.855 1.00 0.00 N ATOM 1288 CA SER A 88 3.705 13.547 -4.157 1.00 0.00 C ATOM 1289 C SER A 88 2.599 12.510 -4.372 1.00 0.00 C ATOM 1290 O SER A 88 1.422 12.858 -4.444 1.00 0.00 O ATOM 1291 CB SER A 88 4.745 13.453 -5.276 1.00 0.00 C ATOM 1292 OG SER A 88 5.216 14.737 -5.675 1.00 0.00 O ATOM 0 H SER A 88 3.779 12.779 -2.209 1.00 0.00 H new ATOM 0 HA SER A 88 3.270 14.546 -4.186 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.586 12.847 -4.940 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.308 12.944 -6.135 1.00 0.00 H new ATOM 0 HG SER A 88 5.517 15.235 -4.886 1.00 0.00 H new ATOM 1298 N VAL A 89 3.018 11.257 -4.468 1.00 0.00 N ATOM 1299 CA VAL A 89 2.079 10.168 -4.673 1.00 0.00 C ATOM 1300 C VAL A 89 2.694 8.866 -4.153 1.00 0.00 C ATOM 1301 O VAL A 89 3.914 8.741 -4.070 1.00 0.00 O ATOM 1302 CB VAL A 89 1.677 10.092 -6.147 1.00 0.00 C ATOM 1303 CG1 VAL A 89 2.909 9.933 -7.043 1.00 0.00 C ATOM 1304 CG2 VAL A 89 0.676 8.963 -6.386 1.00 0.00 C ATOM 0 H VAL A 89 3.995 10.972 -4.408 1.00 0.00 H new ATOM 0 HA VAL A 89 1.163 10.343 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 89 1.189 11.031 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.596 9.881 -8.086 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.572 10.787 -6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.437 9.017 -6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.408 8.932 -7.442 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.124 8.012 -6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.219 9.138 -5.789 1.00 0.00 H new ATOM 1314 N VAL A 90 1.819 7.928 -3.820 1.00 0.00 N ATOM 1315 CA VAL A 90 2.259 6.641 -3.312 1.00 0.00 C ATOM 1316 C VAL A 90 1.572 5.523 -4.100 1.00 0.00 C ATOM 1317 O VAL A 90 0.493 5.067 -3.726 1.00 0.00 O ATOM 1318 CB VAL A 90 2.000 6.556 -1.806 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.311 6.630 -1.019 1.00 0.00 C ATOM 1320 CG2 VAL A 90 1.028 7.646 -1.354 1.00 0.00 C ATOM 0 H VAL A 90 0.807 8.035 -3.892 1.00 0.00 H new ATOM 0 HA VAL A 90 3.334 6.524 -3.451 1.00 0.00 H new ATOM 0 HB VAL A 90 1.539 5.590 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.099 6.567 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.957 5.802 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.812 7.574 -1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.862 7.563 -0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.449 8.626 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.080 7.528 -1.878 1.00 0.00 H new ATOM 1330 N THR A 91 2.226 5.114 -5.178 1.00 0.00 N ATOM 1331 CA THR A 91 1.691 4.060 -6.021 1.00 0.00 C ATOM 1332 C THR A 91 2.208 2.695 -5.563 1.00 0.00 C ATOM 1333 O THR A 91 3.398 2.403 -5.692 1.00 0.00 O ATOM 1334 CB THR A 91 2.048 4.389 -7.473 1.00 0.00 C ATOM 1335 OG1 THR A 91 3.375 4.905 -7.395 1.00 0.00 O ATOM 1336 CG2 THR A 91 1.227 5.554 -8.029 1.00 0.00 C ATOM 0 H THR A 91 3.121 5.494 -5.486 1.00 0.00 H new ATOM 0 HA THR A 91 0.605 4.004 -5.942 1.00 0.00 H new ATOM 0 HB THR A 91 1.892 3.507 -8.094 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.998 4.270 -7.807 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.520 5.746 -9.061 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.167 5.302 -7.993 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.408 6.446 -7.429 1.00 0.00 H new ATOM 1344 N LEU A 92 1.292 1.896 -5.038 1.00 0.00 N ATOM 1345 CA LEU A 92 1.641 0.570 -4.559 1.00 0.00 C ATOM 1346 C LEU A 92 0.633 -0.446 -5.102 1.00 0.00 C ATOM 1347 O LEU A 92 -0.495 -0.087 -5.436 1.00 0.00 O ATOM 1348 CB LEU A 92 1.760 0.565 -3.035 1.00 0.00 C ATOM 1349 CG LEU A 92 2.154 1.893 -2.388 1.00 0.00 C ATOM 1350 CD1 LEU A 92 0.923 2.636 -1.868 1.00 0.00 C ATOM 1351 CD2 LEU A 92 3.201 1.683 -1.291 1.00 0.00 C ATOM 0 H LEU A 92 0.308 2.142 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 92 2.622 0.276 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.804 0.250 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.496 -0.187 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 92 2.611 2.521 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.231 3.577 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.244 2.839 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.415 2.022 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.462 2.644 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.795 1.028 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.093 1.227 -1.722 1.00 0.00 H new ATOM 1363 N GLU A 93 1.075 -1.692 -5.170 1.00 0.00 N ATOM 1364 CA GLU A 93 0.225 -2.762 -5.666 1.00 0.00 C ATOM 1365 C GLU A 93 -0.317 -3.592 -4.500 1.00 0.00 C ATOM 1366 O GLU A 93 0.454 -4.107 -3.689 1.00 0.00 O ATOM 1367 CB GLU A 93 0.978 -3.643 -6.663 1.00 0.00 C ATOM 1368 CG GLU A 93 0.018 -4.269 -7.675 1.00 0.00 C ATOM 1369 CD GLU A 93 0.244 -5.778 -7.787 1.00 0.00 C ATOM 1370 OE1 GLU A 93 1.429 -6.171 -7.846 1.00 0.00 O ATOM 1371 OE2 GLU A 93 -0.772 -6.504 -7.813 1.00 0.00 O ATOM 0 H GLU A 93 2.011 -1.986 -4.890 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.619 -2.316 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.727 -3.048 -7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.512 -4.429 -6.129 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.011 -4.074 -7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.159 -3.804 -8.651 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.637 -3.698 -4.454 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.291 -4.457 -3.400 1.00 0.00 C ATOM 1380 C VAL A 94 -3.197 -5.515 -4.030 1.00 0.00 C ATOM 1381 O VAL A 94 -3.481 -5.465 -5.226 1.00 0.00 O ATOM 1382 CB VAL A 94 -3.037 -3.510 -2.460 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -2.061 -2.701 -1.605 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -3.975 -2.589 -3.241 1.00 0.00 C ATOM 0 H VAL A 94 -2.272 -3.271 -5.129 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.555 -4.981 -2.791 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.645 -4.117 -1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.619 -2.036 -0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.454 -3.379 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.413 -2.110 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.493 -1.926 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.396 -1.995 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.705 -3.189 -3.784 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.629 -6.450 -3.196 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.500 -7.519 -3.655 1.00 0.00 C ATOM 1396 C ALA A 95 -5.442 -7.927 -2.521 1.00 0.00 C ATOM 1397 O ALA A 95 -4.997 -8.199 -1.407 1.00 0.00 O ATOM 1398 CB ALA A 95 -3.650 -8.689 -4.157 1.00 0.00 C ATOM 0 H ALA A 95 -3.392 -6.489 -2.205 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.116 -7.181 -4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.303 -9.491 -4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.021 -8.354 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.021 -9.056 -3.346 1.00 0.00 H new