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 Set 1.1: A 23 MET CE :methyl 153:sc= -3.95! (180deg=-6.5!) USER MOD Set 1.2: A 86 THR OG1 : rot 100:sc= -2.4! USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 16 THR OG1 : rot 180:sc= -4.52! 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 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -3.26! C(o=-3.3!,f=-3.1!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 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 180:sc= -0.319 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0836 K(o=-0.084,f=-3.5!) USER MOD Single : A 65 SER OG : rot 180:sc= -0.126 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 170:sc= 0.00405 USER MOD Single : A 76 GLN : amide:sc= -6.03! C(o=-6!,f=-17!) USER MOD Single : A 83 MET CE :methyl -143:sc= -4.32! (180deg=-8.04!) USER MOD Single : A 84 THR OG1 : rot 79:sc= 0.134 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 105:sc= -3.59! USER MOD ----------------------------------------------------------------- ATOM 153 N GLU A 11 -4.627 -5.129 -7.824 1.00 0.00 N ATOM 154 CA GLU A 11 -3.789 -4.604 -8.890 1.00 0.00 C ATOM 155 C GLU A 11 -2.923 -3.457 -8.368 1.00 0.00 C ATOM 156 O GLU A 11 -2.760 -3.297 -7.159 1.00 0.00 O ATOM 157 CB GLU A 11 -4.638 -4.152 -10.080 1.00 0.00 C ATOM 158 CG GLU A 11 -4.361 -5.020 -11.310 1.00 0.00 C ATOM 159 CD GLU A 11 -5.472 -4.864 -12.351 1.00 0.00 C ATOM 160 OE1 GLU A 11 -5.758 -3.700 -12.706 1.00 0.00 O ATOM 161 OE2 GLU A 11 -6.010 -5.912 -12.768 1.00 0.00 O ATOM 0 HA GLU A 11 -3.131 -5.401 -9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.695 -4.209 -9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.422 -3.109 -10.310 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.404 -4.740 -11.749 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.281 -6.065 -11.012 1.00 0.00 H new ATOM 168 N ILE A 12 -2.389 -2.687 -9.304 1.00 0.00 N ATOM 169 CA ILE A 12 -1.541 -1.560 -8.954 1.00 0.00 C ATOM 170 C ILE A 12 -2.419 -0.339 -8.667 1.00 0.00 C ATOM 171 O ILE A 12 -3.043 0.208 -9.573 1.00 0.00 O ATOM 172 CB ILE A 12 -0.492 -1.320 -10.040 1.00 0.00 C ATOM 173 CG1 ILE A 12 0.445 -0.174 -9.654 1.00 0.00 C ATOM 174 CG2 ILE A 12 -1.153 -1.085 -11.399 1.00 0.00 C ATOM 175 CD1 ILE A 12 1.687 -0.157 -10.547 1.00 0.00 C ATOM 0 H ILE A 12 -2.527 -2.821 -10.306 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.980 -1.773 -8.044 1.00 0.00 H new ATOM 0 HB ILE A 12 0.118 -2.219 -10.129 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.082 0.776 -9.740 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.744 -0.279 -8.611 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.384 -0.917 -12.153 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.744 -1.959 -11.672 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.802 -0.211 -11.342 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.336 0.667 -10.252 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.225 -1.099 -10.440 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.386 -0.027 -11.587 1.00 0.00 H new ATOM 187 N ILE A 13 -2.437 0.052 -7.401 1.00 0.00 N ATOM 188 CA ILE A 13 -3.227 1.198 -6.982 1.00 0.00 C ATOM 189 C ILE A 13 -2.316 2.419 -6.851 1.00 0.00 C ATOM 190 O ILE A 13 -1.176 2.303 -6.403 1.00 0.00 O ATOM 191 CB ILE A 13 -4.009 0.873 -5.708 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.207 -0.636 -5.557 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.337 1.633 -5.670 1.00 0.00 C ATOM 194 CD1 ILE A 13 -4.943 -1.217 -6.767 1.00 0.00 C ATOM 0 H ILE A 13 -1.917 -0.404 -6.651 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.977 1.440 -7.735 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.423 1.208 -4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.239 -1.124 -5.447 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.773 -0.843 -4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.873 1.384 -4.754 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.143 2.705 -5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.942 1.352 -6.532 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.071 -2.291 -6.634 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.921 -0.744 -6.860 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.362 -1.030 -7.670 1.00 0.00 H new ATOM 206 N THR A 14 -2.852 3.563 -7.249 1.00 0.00 N ATOM 207 CA THR A 14 -2.101 4.805 -7.182 1.00 0.00 C ATOM 208 C THR A 14 -2.808 5.806 -6.263 1.00 0.00 C ATOM 209 O THR A 14 -3.880 6.309 -6.597 1.00 0.00 O ATOM 210 CB THR A 14 -1.910 5.321 -8.609 1.00 0.00 C ATOM 211 OG1 THR A 14 -1.558 6.691 -8.438 1.00 0.00 O ATOM 212 CG2 THR A 14 -3.221 5.367 -9.396 1.00 0.00 C ATOM 0 H THR A 14 -3.798 3.656 -7.619 1.00 0.00 H new ATOM 0 HA THR A 14 -1.115 4.648 -6.744 1.00 0.00 H new ATOM 0 HB THR A 14 -1.196 4.685 -9.132 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.414 7.104 -9.315 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.029 5.740 -10.402 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.645 4.365 -9.456 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.925 6.029 -8.892 1.00 0.00 H new ATOM 220 N VAL A 15 -2.178 6.065 -5.127 1.00 0.00 N ATOM 221 CA VAL A 15 -2.731 6.997 -4.160 1.00 0.00 C ATOM 222 C VAL A 15 -1.921 8.294 -4.185 1.00 0.00 C ATOM 223 O VAL A 15 -0.738 8.297 -3.851 1.00 0.00 O ATOM 224 CB VAL A 15 -2.778 6.347 -2.775 1.00 0.00 C ATOM 225 CG1 VAL A 15 -1.540 6.715 -1.955 1.00 0.00 C ATOM 226 CG2 VAL A 15 -4.061 6.728 -2.032 1.00 0.00 C ATOM 0 H VAL A 15 -1.289 5.645 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.758 7.252 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.780 5.266 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.598 6.240 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.645 6.370 -2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.494 7.797 -1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.068 6.253 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.104 7.810 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.926 6.393 -2.604 1.00 0.00 H new ATOM 236 N THR A 16 -2.593 9.365 -4.584 1.00 0.00 N ATOM 237 CA THR A 16 -1.951 10.666 -4.658 1.00 0.00 C ATOM 238 C THR A 16 -2.320 11.513 -3.438 1.00 0.00 C ATOM 239 O THR A 16 -3.397 11.347 -2.867 1.00 0.00 O ATOM 240 CB THR A 16 -2.341 11.312 -5.987 1.00 0.00 C ATOM 241 OG1 THR A 16 -2.143 10.278 -6.948 1.00 0.00 O ATOM 242 CG2 THR A 16 -1.365 12.410 -6.415 1.00 0.00 C ATOM 0 H THR A 16 -3.575 9.358 -4.859 1.00 0.00 H new ATOM 0 HA THR A 16 -0.865 10.573 -4.633 1.00 0.00 H new ATOM 0 HB THR A 16 -3.344 11.730 -5.905 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.375 10.612 -7.840 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.689 12.835 -7.365 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.342 13.192 -5.656 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.367 11.986 -6.529 1.00 0.00 H new ATOM 250 N LEU A 17 -1.409 12.404 -3.077 1.00 0.00 N ATOM 251 CA LEU A 17 -1.626 13.277 -1.936 1.00 0.00 C ATOM 252 C LEU A 17 -2.573 14.410 -2.340 1.00 0.00 C ATOM 253 O LEU A 17 -2.267 15.188 -3.242 1.00 0.00 O ATOM 254 CB LEU A 17 -0.290 13.764 -1.372 1.00 0.00 C ATOM 255 CG LEU A 17 0.434 12.799 -0.433 1.00 0.00 C ATOM 256 CD1 LEU A 17 1.053 13.545 0.751 1.00 0.00 C ATOM 257 CD2 LEU A 17 -0.499 11.675 0.023 1.00 0.00 C ATOM 0 H LEU A 17 -0.518 12.540 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.108 12.731 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.372 13.992 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.463 14.698 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 17 1.252 12.336 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.562 12.835 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.771 14.279 0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.268 14.054 1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.040 11.002 0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.352 12.102 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.851 11.119 -0.846 1.00 0.00 H new ATOM 269 N LYS A 18 -3.704 14.466 -1.651 1.00 0.00 N ATOM 270 CA LYS A 18 -4.697 15.489 -1.927 1.00 0.00 C ATOM 271 C LYS A 18 -4.555 16.620 -0.906 1.00 0.00 C ATOM 272 O LYS A 18 -4.493 17.791 -1.275 1.00 0.00 O ATOM 273 CB LYS A 18 -6.098 14.876 -1.976 1.00 0.00 C ATOM 274 CG LYS A 18 -7.092 15.829 -2.644 1.00 0.00 C ATOM 275 CD LYS A 18 -8.504 15.628 -2.091 1.00 0.00 C ATOM 276 CE LYS A 18 -9.261 16.955 -2.025 1.00 0.00 C ATOM 277 NZ LYS A 18 -10.286 17.022 -3.090 1.00 0.00 N ATOM 0 H LYS A 18 -3.954 13.819 -0.903 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.531 15.926 -2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.068 13.934 -2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.433 14.646 -0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.778 16.860 -2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.093 15.662 -3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.049 14.926 -2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.449 15.187 -1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.735 17.062 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.562 17.785 -2.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.790 17.930 -3.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.827 16.942 -4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.963 16.242 -2.970 1.00 0.00 H new ATOM 291 N LYS A 19 -4.509 16.228 0.359 1.00 0.00 N ATOM 292 CA LYS A 19 -4.376 17.194 1.436 1.00 0.00 C ATOM 293 C LYS A 19 -2.896 17.356 1.790 1.00 0.00 C ATOM 294 O LYS A 19 -2.542 18.183 2.630 1.00 0.00 O ATOM 295 CB LYS A 19 -5.251 16.795 2.627 1.00 0.00 C ATOM 296 CG LYS A 19 -5.140 17.819 3.757 1.00 0.00 C ATOM 297 CD LYS A 19 -6.232 17.599 4.806 1.00 0.00 C ATOM 298 CE LYS A 19 -5.623 17.367 6.191 1.00 0.00 C ATOM 299 NZ LYS A 19 -5.730 18.591 7.015 1.00 0.00 N ATOM 0 H LYS A 19 -4.561 15.255 0.662 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.738 18.171 1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.290 16.712 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.950 15.813 2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.159 17.743 4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.221 18.826 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.893 18.465 4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.843 16.741 4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.135 16.542 6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.577 17.079 6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.312 18.417 7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.222 19.369 6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.731 18.849 7.125 1.00 0.00 H new ATOM 313 N GLN A 20 -2.071 16.556 1.129 1.00 0.00 N ATOM 314 CA GLN A 20 -0.638 16.600 1.364 1.00 0.00 C ATOM 315 C GLN A 20 -0.336 16.401 2.850 1.00 0.00 C ATOM 316 O GLN A 20 0.537 17.067 3.404 1.00 0.00 O ATOM 317 CB GLN A 20 -0.041 17.914 0.854 1.00 0.00 C ATOM 318 CG GLN A 20 0.684 17.706 -0.478 1.00 0.00 C ATOM 319 CD GLN A 20 1.067 19.046 -1.109 1.00 0.00 C ATOM 320 OE1 GLN A 20 0.299 19.669 -1.823 1.00 0.00 O ATOM 321 NE2 GLN A 20 2.296 19.454 -0.804 1.00 0.00 N ATOM 0 H GLN A 20 -2.368 15.874 0.431 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.173 15.786 0.808 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.832 18.653 0.730 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.655 18.313 1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.580 17.106 -0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.044 17.148 -1.161 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.888 18.883 -0.200 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.647 20.337 -1.174 1.00 0.00 H new ATOM 330 N ASN A 21 -1.076 15.482 3.454 1.00 0.00 N ATOM 331 CA ASN A 21 -0.897 15.187 4.864 1.00 0.00 C ATOM 332 C ASN A 21 0.141 14.075 5.023 1.00 0.00 C ATOM 333 O ASN A 21 -0.047 13.153 5.815 1.00 0.00 O ATOM 334 CB ASN A 21 -2.206 14.707 5.496 1.00 0.00 C ATOM 335 CG ASN A 21 -2.129 14.761 7.023 1.00 0.00 C ATOM 336 OD1 ASN A 21 -1.100 14.513 7.629 1.00 0.00 O ATOM 337 ND2 ASN A 21 -3.275 15.095 7.611 1.00 0.00 N ATOM 0 H ASN A 21 -1.800 14.933 2.992 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.570 16.101 5.360 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.031 15.328 5.148 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.417 13.687 5.175 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.328 15.156 8.628 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.101 15.290 7.045 1.00 0.00 H new ATOM 344 N GLY A 22 1.213 14.197 4.254 1.00 0.00 N ATOM 345 CA GLY A 22 2.281 13.213 4.299 1.00 0.00 C ATOM 346 C GLY A 22 1.843 11.900 3.647 1.00 0.00 C ATOM 347 O GLY A 22 2.488 11.417 2.717 1.00 0.00 O ATOM 0 H GLY A 22 1.365 14.962 3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.161 13.602 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.569 13.031 5.334 1.00 0.00 H new ATOM 351 N MET A 23 0.749 11.356 4.162 1.00 0.00 N ATOM 352 CA MET A 23 0.218 10.107 3.642 1.00 0.00 C ATOM 353 C MET A 23 -0.800 9.501 4.610 1.00 0.00 C ATOM 354 O MET A 23 -2.002 9.529 4.351 1.00 0.00 O ATOM 355 CB MET A 23 1.364 9.118 3.419 1.00 0.00 C ATOM 356 CG MET A 23 1.480 8.740 1.943 1.00 0.00 C ATOM 357 SD MET A 23 3.107 9.152 1.333 1.00 0.00 S ATOM 358 CE MET A 23 3.916 7.572 1.515 1.00 0.00 C ATOM 0 H MET A 23 0.216 11.757 4.934 1.00 0.00 H new ATOM 0 HA MET A 23 -0.284 10.312 2.697 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.301 9.558 3.760 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.197 8.221 4.016 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.295 7.673 1.817 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.721 9.266 1.364 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.723 7.490 0.786 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.326 7.487 2.521 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.194 6.772 1.349 1.00 0.00 H new ATOM 368 N GLY A 24 -0.281 8.966 5.707 1.00 0.00 N ATOM 369 CA GLY A 24 -1.131 8.353 6.715 1.00 0.00 C ATOM 370 C GLY A 24 -1.540 6.939 6.299 1.00 0.00 C ATOM 371 O GLY A 24 -2.727 6.642 6.182 1.00 0.00 O ATOM 0 H GLY A 24 0.716 8.944 5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.604 8.317 7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.021 8.964 6.866 1.00 0.00 H new ATOM 375 N LEU A 25 -0.533 6.103 6.089 1.00 0.00 N ATOM 376 CA LEU A 25 -0.775 4.727 5.690 1.00 0.00 C ATOM 377 C LEU A 25 -0.089 3.785 6.683 1.00 0.00 C ATOM 378 O LEU A 25 0.826 4.190 7.397 1.00 0.00 O ATOM 379 CB LEU A 25 -0.345 4.507 4.237 1.00 0.00 C ATOM 380 CG LEU A 25 -1.425 4.738 3.179 1.00 0.00 C ATOM 381 CD1 LEU A 25 -1.184 3.858 1.950 1.00 0.00 C ATOM 382 CD2 LEU A 25 -2.823 4.533 3.766 1.00 0.00 C ATOM 0 H LEU A 25 0.451 6.352 6.188 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.841 4.503 5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.494 5.169 4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.021 3.485 4.137 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.365 5.775 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.966 4.041 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.213 4.097 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.202 2.809 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.571 4.704 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.914 3.513 4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.981 5.236 4.584 1.00 0.00 H new ATOM 394 N SER A 26 -0.558 2.547 6.694 1.00 0.00 N ATOM 395 CA SER A 26 -0.002 1.543 7.587 1.00 0.00 C ATOM 396 C SER A 26 -0.001 0.176 6.902 1.00 0.00 C ATOM 397 O SER A 26 -1.055 -0.422 6.700 1.00 0.00 O ATOM 398 CB SER A 26 -0.786 1.480 8.899 1.00 0.00 C ATOM 399 OG SER A 26 0.063 1.230 10.016 1.00 0.00 O ATOM 0 H SER A 26 -1.317 2.215 6.099 1.00 0.00 H new ATOM 0 HA SER A 26 1.025 1.824 7.822 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.317 2.420 9.050 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.540 0.695 8.834 1.00 0.00 H new ATOM 0 HG SER A 26 -0.474 1.199 10.835 1.00 0.00 H new ATOM 405 N ILE A 27 1.197 -0.279 6.561 1.00 0.00 N ATOM 406 CA ILE A 27 1.350 -1.565 5.903 1.00 0.00 C ATOM 407 C ILE A 27 2.441 -2.369 6.613 1.00 0.00 C ATOM 408 O ILE A 27 3.136 -1.846 7.481 1.00 0.00 O ATOM 409 CB ILE A 27 1.601 -1.374 4.405 1.00 0.00 C ATOM 410 CG1 ILE A 27 3.094 -1.454 4.086 1.00 0.00 C ATOM 411 CG2 ILE A 27 0.977 -0.069 3.906 1.00 0.00 C ATOM 412 CD1 ILE A 27 3.333 -1.442 2.574 1.00 0.00 C ATOM 0 H ILE A 27 2.070 0.221 6.728 1.00 0.00 H new ATOM 0 HA ILE A 27 0.429 -2.143 5.976 1.00 0.00 H new ATOM 0 HB ILE A 27 1.113 -2.189 3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.614 -0.614 4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.513 -2.363 4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.170 0.042 2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.099 -0.090 4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.415 0.772 4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.403 -1.500 2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.832 -2.297 2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.934 -0.521 2.150 1.00 0.00 H new ATOM 424 N VAL A 28 2.557 -3.627 6.213 1.00 0.00 N ATOM 425 CA VAL A 28 3.552 -4.510 6.799 1.00 0.00 C ATOM 426 C VAL A 28 3.962 -5.564 5.769 1.00 0.00 C ATOM 427 O VAL A 28 3.237 -5.814 4.809 1.00 0.00 O ATOM 428 CB VAL A 28 3.014 -5.118 8.095 1.00 0.00 C ATOM 429 CG1 VAL A 28 1.756 -5.948 7.830 1.00 0.00 C ATOM 430 CG2 VAL A 28 4.086 -5.956 8.794 1.00 0.00 C ATOM 0 H VAL A 28 1.979 -4.056 5.490 1.00 0.00 H new ATOM 0 HA VAL A 28 4.449 -3.951 7.066 1.00 0.00 H new ATOM 0 HB VAL A 28 2.742 -4.299 8.761 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.394 -6.369 8.768 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.985 -5.311 7.396 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.992 -6.755 7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.677 -6.377 9.713 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.404 -6.764 8.135 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.942 -5.325 9.033 1.00 0.00 H new ATOM 440 N ALA A 29 5.125 -6.154 6.005 1.00 0.00 N ATOM 441 CA ALA A 29 5.641 -7.177 5.110 1.00 0.00 C ATOM 442 C ALA A 29 6.267 -8.302 5.936 1.00 0.00 C ATOM 443 O ALA A 29 7.109 -8.053 6.796 1.00 0.00 O ATOM 444 CB ALA A 29 6.636 -6.545 4.134 1.00 0.00 C ATOM 0 H ALA A 29 5.725 -5.943 6.803 1.00 0.00 H new ATOM 0 HA ALA A 29 4.836 -7.613 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.024 -7.311 3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.134 -5.772 3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.460 -6.101 4.692 1.00 0.00 H new ATOM 450 N ALA A 30 5.830 -9.519 5.645 1.00 0.00 N ATOM 451 CA ALA A 30 6.337 -10.685 6.350 1.00 0.00 C ATOM 452 C ALA A 30 7.356 -11.407 5.465 1.00 0.00 C ATOM 453 O ALA A 30 7.300 -11.309 4.240 1.00 0.00 O ATOM 454 CB ALA A 30 5.169 -11.588 6.749 1.00 0.00 C ATOM 0 H ALA A 30 5.131 -9.723 4.931 1.00 0.00 H new ATOM 0 HA ALA A 30 6.847 -10.388 7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.549 -12.462 7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.489 -11.038 7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.635 -11.909 5.855 1.00 0.00 H new ATOM 576 N GLY A 39 4.846 -12.092 2.673 1.00 0.00 N ATOM 577 CA GLY A 39 3.728 -11.395 2.060 1.00 0.00 C ATOM 578 C GLY A 39 3.538 -10.012 2.686 1.00 0.00 C ATOM 579 O GLY A 39 3.824 -9.815 3.866 1.00 0.00 O ATOM 0 HA2 GLY A 39 3.901 -11.293 0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.818 -11.982 2.181 1.00 0.00 H new ATOM 583 N ILE A 40 3.056 -9.089 1.867 1.00 0.00 N ATOM 584 CA ILE A 40 2.824 -7.729 2.324 1.00 0.00 C ATOM 585 C ILE A 40 1.319 -7.496 2.478 1.00 0.00 C ATOM 586 O ILE A 40 0.524 -8.031 1.707 1.00 0.00 O ATOM 587 CB ILE A 40 3.510 -6.726 1.394 1.00 0.00 C ATOM 588 CG1 ILE A 40 4.590 -7.409 0.553 1.00 0.00 C ATOM 589 CG2 ILE A 40 4.064 -5.536 2.183 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.179 -6.439 -0.474 1.00 0.00 C ATOM 0 H ILE A 40 2.820 -9.256 0.889 1.00 0.00 H new ATOM 0 HA ILE A 40 3.272 -7.576 3.306 1.00 0.00 H new ATOM 0 HB ILE A 40 2.763 -6.334 0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.382 -7.781 1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.166 -8.273 0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.546 -4.838 1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.248 -5.031 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.792 -5.890 2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.944 -6.949 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.389 -6.088 -1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.624 -5.588 0.042 1.00 0.00 H new ATOM 602 N TYR A 41 0.974 -6.698 3.476 1.00 0.00 N ATOM 603 CA TYR A 41 -0.421 -6.389 3.740 1.00 0.00 C ATOM 604 C TYR A 41 -0.570 -4.978 4.313 1.00 0.00 C ATOM 605 O TYR A 41 0.394 -4.404 4.817 1.00 0.00 O ATOM 606 CB TYR A 41 -0.888 -7.404 4.784 1.00 0.00 C ATOM 607 CG TYR A 41 -0.658 -8.862 4.382 1.00 0.00 C ATOM 608 CD1 TYR A 41 -1.359 -9.405 3.324 1.00 0.00 C ATOM 609 CD2 TYR A 41 0.252 -9.634 5.075 1.00 0.00 C ATOM 610 CE1 TYR A 41 -1.143 -10.776 2.946 1.00 0.00 C ATOM 611 CE2 TYR A 41 0.469 -11.005 4.696 1.00 0.00 C ATOM 612 CZ TYR A 41 -0.240 -11.509 3.651 1.00 0.00 C ATOM 613 OH TYR A 41 -0.034 -12.805 3.291 1.00 0.00 O ATOM 0 H TYR A 41 1.637 -6.255 4.113 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.006 -6.437 2.821 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.368 -7.210 5.722 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.951 -7.253 4.972 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.070 -8.800 2.780 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.801 -9.209 5.902 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.686 -11.213 2.121 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.179 -11.620 5.229 1.00 0.00 H new ATOM 0 HH TYR A 41 0.638 -13.205 3.881 1.00 0.00 H new ATOM 623 N VAL A 42 -1.786 -4.460 4.218 1.00 0.00 N ATOM 624 CA VAL A 42 -2.074 -3.129 4.722 1.00 0.00 C ATOM 625 C VAL A 42 -2.730 -3.240 6.099 1.00 0.00 C ATOM 626 O VAL A 42 -3.761 -3.893 6.249 1.00 0.00 O ATOM 627 CB VAL A 42 -2.932 -2.361 3.713 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.571 -1.132 4.359 1.00 0.00 C ATOM 629 CG2 VAL A 42 -2.111 -1.971 2.482 1.00 0.00 C ATOM 0 H VAL A 42 -2.583 -4.939 3.799 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.152 -2.561 4.845 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.735 -3.021 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.175 -0.605 3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.205 -1.445 5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.790 -0.468 4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.743 -1.427 1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.278 -1.338 2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.727 -2.870 2.001 1.00 0.00 H new ATOM 639 N LYS A 43 -2.103 -2.592 7.072 1.00 0.00 N ATOM 640 CA LYS A 43 -2.611 -2.611 8.432 1.00 0.00 C ATOM 641 C LYS A 43 -3.844 -1.708 8.524 1.00 0.00 C ATOM 642 O LYS A 43 -4.891 -2.128 9.014 1.00 0.00 O ATOM 643 CB LYS A 43 -1.506 -2.243 9.424 1.00 0.00 C ATOM 644 CG LYS A 43 -2.062 -2.107 10.842 1.00 0.00 C ATOM 645 CD LYS A 43 -2.330 -3.481 11.460 1.00 0.00 C ATOM 646 CE LYS A 43 -2.181 -3.435 12.982 1.00 0.00 C ATOM 647 NZ LYS A 43 -1.869 -4.782 13.513 1.00 0.00 N ATOM 0 H LYS A 43 -1.248 -2.051 6.944 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.929 -3.617 8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.728 -3.007 9.407 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.039 -1.306 9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.355 -1.557 11.463 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.985 -1.528 10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.335 -3.811 11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.636 -4.212 11.045 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.389 -2.738 13.255 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.102 -3.064 13.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.771 -4.733 14.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.638 -5.438 13.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.979 -5.122 13.097 1.00 0.00 H new ATOM 661 N SER A 44 -3.678 -0.485 8.044 1.00 0.00 N ATOM 662 CA SER A 44 -4.765 0.481 8.065 1.00 0.00 C ATOM 663 C SER A 44 -4.231 1.875 7.733 1.00 0.00 C ATOM 664 O SER A 44 -3.022 2.070 7.611 1.00 0.00 O ATOM 665 CB SER A 44 -5.465 0.490 9.424 1.00 0.00 C ATOM 666 OG SER A 44 -5.464 1.788 10.015 1.00 0.00 O ATOM 0 H SER A 44 -2.808 -0.140 7.638 1.00 0.00 H new ATOM 0 HA SER A 44 -5.497 0.191 7.311 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.493 0.146 9.305 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.969 -0.214 10.092 1.00 0.00 H new ATOM 0 HG SER A 44 -5.922 1.754 10.881 1.00 0.00 H new ATOM 672 N VAL A 45 -5.158 2.812 7.594 1.00 0.00 N ATOM 673 CA VAL A 45 -4.796 4.183 7.279 1.00 0.00 C ATOM 674 C VAL A 45 -4.753 5.005 8.566 1.00 0.00 C ATOM 675 O VAL A 45 -5.642 4.892 9.411 1.00 0.00 O ATOM 676 CB VAL A 45 -5.763 4.753 6.238 1.00 0.00 C ATOM 677 CG1 VAL A 45 -5.818 3.862 4.995 1.00 0.00 C ATOM 678 CG2 VAL A 45 -7.158 4.947 6.835 1.00 0.00 C ATOM 0 H VAL A 45 -6.160 2.648 7.694 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.801 4.222 6.836 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.390 5.731 5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.512 4.289 4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.825 3.796 4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.156 2.865 5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.826 5.353 6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.542 3.987 7.181 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.101 5.639 7.675 1.00 0.00 H new ATOM 688 N VAL A 46 -3.710 5.814 8.682 1.00 0.00 N ATOM 689 CA VAL A 46 -3.539 6.654 9.855 1.00 0.00 C ATOM 690 C VAL A 46 -4.899 7.216 10.277 1.00 0.00 C ATOM 691 O VAL A 46 -5.150 7.415 11.464 1.00 0.00 O ATOM 692 CB VAL A 46 -2.503 7.745 9.570 1.00 0.00 C ATOM 693 CG1 VAL A 46 -2.707 8.946 10.494 1.00 0.00 C ATOM 694 CG2 VAL A 46 -1.081 7.195 9.689 1.00 0.00 C ATOM 0 H VAL A 46 -2.974 5.905 7.982 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.155 6.070 10.691 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.645 8.084 8.544 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.959 9.707 10.272 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.703 9.360 10.338 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.604 8.628 11.532 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.365 7.990 9.482 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.921 6.816 10.698 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.943 6.386 8.972 1.00 0.00 H new ATOM 704 N LYS A 47 -5.740 7.455 9.281 1.00 0.00 N ATOM 705 CA LYS A 47 -7.067 7.990 9.534 1.00 0.00 C ATOM 706 C LYS A 47 -6.995 9.517 9.585 1.00 0.00 C ATOM 707 O LYS A 47 -7.986 10.179 9.896 1.00 0.00 O ATOM 708 CB LYS A 47 -7.667 7.359 10.793 1.00 0.00 C ATOM 709 CG LYS A 47 -9.192 7.476 10.790 1.00 0.00 C ATOM 710 CD LYS A 47 -9.838 6.215 10.211 1.00 0.00 C ATOM 711 CE LYS A 47 -11.323 6.444 9.922 1.00 0.00 C ATOM 712 NZ LYS A 47 -11.829 5.423 8.977 1.00 0.00 N ATOM 0 H LYS A 47 -5.528 7.288 8.297 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.745 7.730 8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.379 6.309 10.851 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.263 7.850 11.678 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.550 7.638 11.807 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.492 8.345 10.204 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.325 5.928 9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.723 5.388 10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.891 6.402 10.851 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.469 7.440 9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.838 5.592 8.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.298 5.482 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.707 4.477 9.390 1.00 0.00 H new ATOM 726 N GLY A 48 -5.815 10.033 9.276 1.00 0.00 N ATOM 727 CA GLY A 48 -5.602 11.470 9.283 1.00 0.00 C ATOM 728 C GLY A 48 -4.538 11.873 8.258 1.00 0.00 C ATOM 729 O GLY A 48 -3.753 12.787 8.501 1.00 0.00 O ATOM 0 H GLY A 48 -4.996 9.482 9.019 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.539 11.981 9.060 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.293 11.790 10.278 1.00 0.00 H new ATOM 733 N GLY A 49 -4.547 11.168 7.137 1.00 0.00 N ATOM 734 CA GLY A 49 -3.593 11.439 6.075 1.00 0.00 C ATOM 735 C GLY A 49 -4.309 11.836 4.782 1.00 0.00 C ATOM 736 O GLY A 49 -5.537 11.794 4.710 1.00 0.00 O ATOM 0 H GLY A 49 -5.200 10.409 6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.919 12.239 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.979 10.556 5.898 1.00 0.00 H new ATOM 740 N ALA A 50 -3.512 12.212 3.794 1.00 0.00 N ATOM 741 CA ALA A 50 -4.054 12.616 2.507 1.00 0.00 C ATOM 742 C ALA A 50 -4.546 11.379 1.754 1.00 0.00 C ATOM 743 O ALA A 50 -5.703 11.318 1.342 1.00 0.00 O ATOM 744 CB ALA A 50 -2.991 13.391 1.725 1.00 0.00 C ATOM 0 H ALA A 50 -2.495 12.246 3.858 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.908 13.280 2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.398 13.694 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.698 14.276 2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.119 12.756 1.568 1.00 0.00 H new ATOM 750 N ALA A 51 -3.643 10.423 1.599 1.00 0.00 N ATOM 751 CA ALA A 51 -3.969 9.190 0.901 1.00 0.00 C ATOM 752 C ALA A 51 -4.854 8.322 1.799 1.00 0.00 C ATOM 753 O ALA A 51 -5.422 7.330 1.344 1.00 0.00 O ATOM 754 CB ALA A 51 -2.679 8.478 0.491 1.00 0.00 C ATOM 0 H ALA A 51 -2.685 10.477 1.945 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.528 9.401 -0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.924 7.554 -0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.100 9.125 -0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.093 8.247 1.380 1.00 0.00 H new ATOM 760 N ASP A 52 -4.944 8.726 3.057 1.00 0.00 N ATOM 761 CA ASP A 52 -5.750 7.999 4.023 1.00 0.00 C ATOM 762 C ASP A 52 -7.224 8.361 3.826 1.00 0.00 C ATOM 763 O ASP A 52 -8.068 7.478 3.678 1.00 0.00 O ATOM 764 CB ASP A 52 -5.359 8.366 5.455 1.00 0.00 C ATOM 765 CG ASP A 52 -6.532 8.530 6.424 1.00 0.00 C ATOM 766 OD1 ASP A 52 -7.306 7.557 6.548 1.00 0.00 O ATOM 767 OD2 ASP A 52 -6.631 9.627 7.016 1.00 0.00 O ATOM 0 H ASP A 52 -4.471 9.549 3.431 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.583 6.933 3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.692 7.596 5.842 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.792 9.297 5.434 1.00 0.00 H new ATOM 772 N VAL A 53 -7.488 9.659 3.833 1.00 0.00 N ATOM 773 CA VAL A 53 -8.844 10.148 3.657 1.00 0.00 C ATOM 774 C VAL A 53 -9.197 10.139 2.168 1.00 0.00 C ATOM 775 O VAL A 53 -10.349 9.921 1.801 1.00 0.00 O ATOM 776 CB VAL A 53 -8.988 11.530 4.297 1.00 0.00 C ATOM 777 CG1 VAL A 53 -10.448 11.989 4.286 1.00 0.00 C ATOM 778 CG2 VAL A 53 -8.422 11.539 5.719 1.00 0.00 C ATOM 0 H VAL A 53 -6.785 10.387 3.958 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.554 9.494 4.163 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.409 12.236 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.523 12.974 4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.805 12.041 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.057 11.279 4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.537 12.533 6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.960 10.814 6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.365 11.276 5.691 1.00 0.00 H new ATOM 788 N ASP A 54 -8.182 10.379 1.350 1.00 0.00 N ATOM 789 CA ASP A 54 -8.369 10.400 -0.090 1.00 0.00 C ATOM 790 C ASP A 54 -8.391 8.964 -0.619 1.00 0.00 C ATOM 791 O ASP A 54 -9.344 8.557 -1.280 1.00 0.00 O ATOM 792 CB ASP A 54 -7.227 11.144 -0.783 1.00 0.00 C ATOM 793 CG ASP A 54 -7.471 11.478 -2.256 1.00 0.00 C ATOM 794 OD1 ASP A 54 -8.428 12.240 -2.514 1.00 0.00 O ATOM 795 OD2 ASP A 54 -6.697 10.964 -3.091 1.00 0.00 O ATOM 0 H ASP A 54 -7.227 10.561 1.658 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.310 10.909 -0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.037 12.071 -0.243 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.322 10.541 -0.708 1.00 0.00 H new ATOM 800 N GLY A 55 -7.328 8.237 -0.308 1.00 0.00 N ATOM 801 CA GLY A 55 -7.213 6.857 -0.745 1.00 0.00 C ATOM 802 C GLY A 55 -8.329 5.999 -0.148 1.00 0.00 C ATOM 803 O GLY A 55 -9.012 5.273 -0.868 1.00 0.00 O ATOM 0 H GLY A 55 -6.539 8.578 0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.257 6.811 -1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.243 6.457 -0.448 1.00 0.00 H new ATOM 807 N ARG A 56 -8.480 6.108 1.164 1.00 0.00 N ATOM 808 CA ARG A 56 -9.502 5.351 1.866 1.00 0.00 C ATOM 809 C ARG A 56 -9.345 3.856 1.581 1.00 0.00 C ATOM 810 O ARG A 56 -10.322 3.169 1.293 1.00 0.00 O ATOM 811 CB ARG A 56 -10.904 5.797 1.446 1.00 0.00 C ATOM 812 CG ARG A 56 -11.216 7.198 1.980 1.00 0.00 C ATOM 813 CD ARG A 56 -12.067 7.124 3.250 1.00 0.00 C ATOM 814 NE ARG A 56 -12.867 8.361 3.396 1.00 0.00 N ATOM 815 CZ ARG A 56 -13.671 8.617 4.436 1.00 0.00 C ATOM 816 NH1 ARG A 56 -13.785 7.725 5.430 1.00 0.00 N ATOM 817 NH2 ARG A 56 -14.358 9.765 4.485 1.00 0.00 N ATOM 0 H ARG A 56 -7.911 6.710 1.759 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.377 5.537 2.933 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.981 5.793 0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.643 5.088 1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.286 7.726 2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.743 7.773 1.218 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.727 6.258 3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.425 6.991 4.121 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.802 9.062 2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.259 6.852 5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.397 7.920 6.222 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.269 10.445 3.730 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.970 9.960 5.277 1.00 0.00 H new ATOM 831 N LEU A 57 -8.105 3.396 1.672 1.00 0.00 N ATOM 832 CA LEU A 57 -7.807 1.996 1.429 1.00 0.00 C ATOM 833 C LEU A 57 -8.403 1.148 2.553 1.00 0.00 C ATOM 834 O LEU A 57 -8.621 1.642 3.659 1.00 0.00 O ATOM 835 CB LEU A 57 -6.302 1.794 1.237 1.00 0.00 C ATOM 836 CG LEU A 57 -5.702 2.381 -0.041 1.00 0.00 C ATOM 837 CD1 LEU A 57 -4.188 2.554 0.091 1.00 0.00 C ATOM 838 CD2 LEU A 57 -6.079 1.536 -1.262 1.00 0.00 C ATOM 0 H LEU A 57 -7.296 3.969 1.911 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.271 1.664 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.785 2.232 2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.095 0.724 1.253 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.126 3.374 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.788 2.973 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.970 3.227 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.726 1.585 0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.640 1.975 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.702 0.521 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.164 1.510 -1.365 1.00 0.00 H new ATOM 850 N ALA A 58 -8.652 -0.114 2.233 1.00 0.00 N ATOM 851 CA ALA A 58 -9.218 -1.034 3.203 1.00 0.00 C ATOM 852 C ALA A 58 -8.092 -1.650 4.034 1.00 0.00 C ATOM 853 O ALA A 58 -7.009 -1.918 3.517 1.00 0.00 O ATOM 854 CB ALA A 58 -10.053 -2.093 2.476 1.00 0.00 C ATOM 0 H ALA A 58 -8.472 -0.520 1.315 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.883 -0.508 3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.478 -2.784 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.858 -1.606 1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.418 -2.643 1.781 1.00 0.00 H new ATOM 860 N ALA A 59 -8.386 -1.858 5.309 1.00 0.00 N ATOM 861 CA ALA A 59 -7.411 -2.437 6.218 1.00 0.00 C ATOM 862 C ALA A 59 -7.449 -3.961 6.094 1.00 0.00 C ATOM 863 O ALA A 59 -8.474 -4.585 6.365 1.00 0.00 O ATOM 864 CB ALA A 59 -7.695 -1.962 7.644 1.00 0.00 C ATOM 0 H ALA A 59 -9.286 -1.636 5.734 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.404 -2.109 5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.963 -2.397 8.325 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.628 -0.875 7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.696 -2.275 7.939 1.00 0.00 H new ATOM 870 N GLY A 60 -6.317 -4.517 5.685 1.00 0.00 N ATOM 871 CA GLY A 60 -6.208 -5.958 5.523 1.00 0.00 C ATOM 872 C GLY A 60 -5.887 -6.323 4.071 1.00 0.00 C ATOM 873 O GLY A 60 -6.059 -7.470 3.664 1.00 0.00 O ATOM 0 H GLY A 60 -5.469 -3.997 5.461 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.428 -6.344 6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.142 -6.433 5.824 1.00 0.00 H new ATOM 877 N ASP A 61 -5.428 -5.323 3.331 1.00 0.00 N ATOM 878 CA ASP A 61 -5.081 -5.525 1.935 1.00 0.00 C ATOM 879 C ASP A 61 -3.771 -6.309 1.847 1.00 0.00 C ATOM 880 O ASP A 61 -3.098 -6.519 2.856 1.00 0.00 O ATOM 881 CB ASP A 61 -4.881 -4.188 1.219 1.00 0.00 C ATOM 882 CG ASP A 61 -6.011 -3.174 1.415 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.104 -3.615 1.832 1.00 0.00 O ATOM 884 OD2 ASP A 61 -5.755 -1.981 1.144 1.00 0.00 O ATOM 0 H ASP A 61 -5.289 -4.372 3.672 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.897 -6.070 1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.949 -3.743 1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.765 -4.378 0.152 1.00 0.00 H new ATOM 889 N GLN A 62 -3.444 -6.722 0.631 1.00 0.00 N ATOM 890 CA GLN A 62 -2.228 -7.479 0.398 1.00 0.00 C ATOM 891 C GLN A 62 -1.354 -6.770 -0.639 1.00 0.00 C ATOM 892 O GLN A 62 -1.689 -6.738 -1.822 1.00 0.00 O ATOM 893 CB GLN A 62 -2.546 -8.910 -0.040 1.00 0.00 C ATOM 894 CG GLN A 62 -1.268 -9.671 -0.400 1.00 0.00 C ATOM 895 CD GLN A 62 -1.588 -10.931 -1.206 1.00 0.00 C ATOM 896 OE1 GLN A 62 -2.379 -10.920 -2.134 1.00 0.00 O ATOM 897 NE2 GLN A 62 -0.930 -12.013 -0.803 1.00 0.00 N ATOM 0 H GLN A 62 -4.002 -6.546 -0.204 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.674 -7.537 1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.070 -9.431 0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.216 -8.890 -0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.606 -9.025 -0.976 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.734 -9.943 0.510 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.281 -11.953 -0.018 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.074 -12.904 -1.279 1.00 0.00 H new ATOM 906 N LEU A 63 -0.247 -6.220 -0.158 1.00 0.00 N ATOM 907 CA LEU A 63 0.677 -5.515 -1.029 1.00 0.00 C ATOM 908 C LEU A 63 1.674 -6.513 -1.623 1.00 0.00 C ATOM 909 O LEU A 63 1.902 -7.580 -1.055 1.00 0.00 O ATOM 910 CB LEU A 63 1.340 -4.356 -0.279 1.00 0.00 C ATOM 911 CG LEU A 63 2.541 -3.711 -0.972 1.00 0.00 C ATOM 912 CD1 LEU A 63 2.124 -2.459 -1.745 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.660 -3.417 0.032 1.00 0.00 C ATOM 0 H LEU A 63 0.030 -6.249 0.823 1.00 0.00 H new ATOM 0 HA LEU A 63 0.143 -5.062 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.589 -3.585 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.660 -4.717 0.698 1.00 0.00 H new ATOM 0 HG LEU A 63 2.936 -4.421 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.998 -2.021 -2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.388 -2.728 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.689 -1.735 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.502 -2.959 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.291 -2.736 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.984 -4.347 0.499 1.00 0.00 H new ATOM 925 N LEU A 64 2.242 -6.129 -2.757 1.00 0.00 N ATOM 926 CA LEU A 64 3.209 -6.977 -3.433 1.00 0.00 C ATOM 927 C LEU A 64 4.284 -6.102 -4.080 1.00 0.00 C ATOM 928 O LEU A 64 5.466 -6.440 -4.052 1.00 0.00 O ATOM 929 CB LEU A 64 2.505 -7.914 -4.416 1.00 0.00 C ATOM 930 CG LEU A 64 1.811 -9.132 -3.803 1.00 0.00 C ATOM 931 CD1 LEU A 64 0.361 -9.232 -4.277 1.00 0.00 C ATOM 932 CD2 LEU A 64 2.599 -10.412 -4.090 1.00 0.00 C ATOM 0 H LEU A 64 2.051 -5.243 -3.224 1.00 0.00 H new ATOM 0 HA LEU A 64 3.714 -7.625 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.763 -7.338 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.239 -8.266 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 64 1.787 -9.005 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.110 -10.106 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.182 -8.334 -3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.339 -9.327 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.085 -11.263 -3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.676 -10.558 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.598 -10.327 -3.663 1.00 0.00 H new ATOM 944 N SER A 65 3.834 -4.990 -4.648 1.00 0.00 N ATOM 945 CA SER A 65 4.743 -4.063 -5.301 1.00 0.00 C ATOM 946 C SER A 65 4.660 -2.692 -4.632 1.00 0.00 C ATOM 947 O SER A 65 3.736 -2.425 -3.865 1.00 0.00 O ATOM 948 CB SER A 65 4.431 -3.946 -6.794 1.00 0.00 C ATOM 949 OG SER A 65 4.286 -2.589 -7.204 1.00 0.00 O ATOM 0 H SER A 65 2.853 -4.712 -4.669 1.00 0.00 H new ATOM 0 HA SER A 65 5.757 -4.449 -5.199 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.229 -4.415 -7.369 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.514 -4.492 -7.017 1.00 0.00 H new ATOM 0 HG SER A 65 4.089 -2.556 -8.163 1.00 0.00 H new ATOM 955 N VAL A 66 5.639 -1.855 -4.946 1.00 0.00 N ATOM 956 CA VAL A 66 5.687 -0.515 -4.384 1.00 0.00 C ATOM 957 C VAL A 66 5.842 0.502 -5.516 1.00 0.00 C ATOM 958 O VAL A 66 6.092 0.130 -6.662 1.00 0.00 O ATOM 959 CB VAL A 66 6.804 -0.426 -3.342 1.00 0.00 C ATOM 960 CG1 VAL A 66 8.181 -0.467 -4.011 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.650 0.829 -2.481 1.00 0.00 C ATOM 0 H VAL A 66 6.405 -2.079 -5.582 1.00 0.00 H new ATOM 0 HA VAL A 66 4.757 -0.284 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 66 6.723 -1.294 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.958 -0.402 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.290 -1.401 -4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.277 0.373 -4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.456 0.869 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.693 1.714 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.691 0.800 -1.964 1.00 0.00 H new ATOM 971 N ASP A 67 5.687 1.768 -5.156 1.00 0.00 N ATOM 972 CA ASP A 67 5.804 2.842 -6.128 1.00 0.00 C ATOM 973 C ASP A 67 7.268 2.976 -6.558 1.00 0.00 C ATOM 974 O ASP A 67 8.168 2.955 -5.721 1.00 0.00 O ATOM 975 CB ASP A 67 5.365 4.178 -5.528 1.00 0.00 C ATOM 976 CG ASP A 67 5.449 5.374 -6.479 1.00 0.00 C ATOM 977 OD1 ASP A 67 5.786 5.137 -7.659 1.00 0.00 O ATOM 978 OD2 ASP A 67 5.174 6.497 -6.005 1.00 0.00 O ATOM 0 H ASP A 67 5.481 2.074 -4.205 1.00 0.00 H new ATOM 0 HA ASP A 67 5.164 2.600 -6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.337 4.082 -5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.980 4.385 -4.653 1.00 0.00 H new ATOM 983 N GLY A 68 7.457 3.112 -7.862 1.00 0.00 N ATOM 984 CA GLY A 68 8.795 3.249 -8.412 1.00 0.00 C ATOM 985 C GLY A 68 9.644 2.012 -8.107 1.00 0.00 C ATOM 986 O GLY A 68 10.847 2.003 -8.361 1.00 0.00 O ATOM 0 H GLY A 68 6.707 3.130 -8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.735 3.396 -9.490 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.274 4.135 -7.995 1.00 0.00 H new ATOM 990 N ARG A 69 8.982 0.998 -7.569 1.00 0.00 N ATOM 991 CA ARG A 69 9.659 -0.241 -7.226 1.00 0.00 C ATOM 992 C ARG A 69 8.674 -1.411 -7.261 1.00 0.00 C ATOM 993 O ARG A 69 8.109 -1.781 -6.233 1.00 0.00 O ATOM 994 CB ARG A 69 10.294 -0.157 -5.837 1.00 0.00 C ATOM 995 CG ARG A 69 11.802 0.086 -5.937 1.00 0.00 C ATOM 996 CD ARG A 69 12.269 1.079 -4.872 1.00 0.00 C ATOM 997 NE ARG A 69 13.664 1.493 -5.144 1.00 0.00 N ATOM 998 CZ ARG A 69 14.037 2.236 -6.194 1.00 0.00 C ATOM 999 NH1 ARG A 69 13.121 2.651 -7.080 1.00 0.00 N ATOM 1000 NH2 ARG A 69 15.326 2.562 -6.361 1.00 0.00 N ATOM 0 H ARG A 69 7.983 1.009 -7.362 1.00 0.00 H new ATOM 0 HA ARG A 69 10.447 -0.403 -7.962 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.829 0.649 -5.269 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.106 -1.082 -5.291 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.335 -0.858 -5.818 1.00 0.00 H new ATOM 0 HG3 ARG A 69 12.047 0.468 -6.928 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.616 1.952 -4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.202 0.624 -3.884 1.00 0.00 H new ATOM 0 HE ARG A 69 14.387 1.193 -4.490 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.140 2.401 -6.954 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.405 3.217 -7.880 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.024 2.244 -5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 69 15.609 3.128 -7.161 1.00 0.00 H new ATOM 1014 N SER A 70 8.500 -1.962 -8.452 1.00 0.00 N ATOM 1015 CA SER A 70 7.593 -3.084 -8.632 1.00 0.00 C ATOM 1016 C SER A 70 8.164 -4.332 -7.958 1.00 0.00 C ATOM 1017 O SER A 70 8.908 -5.090 -8.576 1.00 0.00 O ATOM 1018 CB SER A 70 7.337 -3.352 -10.118 1.00 0.00 C ATOM 1019 OG SER A 70 6.309 -2.516 -10.642 1.00 0.00 O ATOM 0 H SER A 70 8.971 -1.653 -9.302 1.00 0.00 H new ATOM 0 HA SER A 70 6.640 -2.832 -8.166 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.257 -3.190 -10.679 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.060 -4.397 -10.255 1.00 0.00 H new ATOM 0 HG SER A 70 6.177 -2.716 -11.592 1.00 0.00 H new ATOM 1025 N LEU A 71 7.792 -4.508 -6.700 1.00 0.00 N ATOM 1026 CA LEU A 71 8.259 -5.651 -5.934 1.00 0.00 C ATOM 1027 C LEU A 71 7.584 -6.921 -6.459 1.00 0.00 C ATOM 1028 O LEU A 71 8.257 -7.902 -6.771 1.00 0.00 O ATOM 1029 CB LEU A 71 8.046 -5.418 -4.437 1.00 0.00 C ATOM 1030 CG LEU A 71 8.388 -4.019 -3.920 1.00 0.00 C ATOM 1031 CD1 LEU A 71 7.396 -3.571 -2.846 1.00 0.00 C ATOM 1032 CD2 LEU A 71 9.835 -3.954 -3.429 1.00 0.00 C ATOM 0 H LEU A 71 7.172 -3.878 -6.191 1.00 0.00 H new ATOM 0 HA LEU A 71 9.333 -5.781 -6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.002 -5.625 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.646 -6.143 -3.888 1.00 0.00 H new ATOM 0 HG LEU A 71 8.299 -3.318 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.663 -2.574 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.390 -3.551 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.426 -4.269 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.052 -2.949 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.977 -4.670 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.509 -4.197 -4.250 1.00 0.00 H new ATOM 1044 N VAL A 72 6.264 -6.859 -6.542 1.00 0.00 N ATOM 1045 CA VAL A 72 5.491 -7.992 -7.024 1.00 0.00 C ATOM 1046 C VAL A 72 5.303 -8.998 -5.888 1.00 0.00 C ATOM 1047 O VAL A 72 4.574 -9.977 -6.034 1.00 0.00 O ATOM 1048 CB VAL A 72 6.166 -8.599 -8.255 1.00 0.00 C ATOM 1049 CG1 VAL A 72 6.926 -7.532 -9.046 1.00 0.00 C ATOM 1050 CG2 VAL A 72 7.091 -9.752 -7.861 1.00 0.00 C ATOM 0 H VAL A 72 5.709 -6.043 -6.284 1.00 0.00 H new ATOM 0 HA VAL A 72 4.498 -7.670 -7.339 1.00 0.00 H new ATOM 0 HB VAL A 72 5.385 -9.002 -8.900 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.396 -7.990 -9.916 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.231 -6.759 -9.374 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.692 -7.086 -8.412 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.558 -10.166 -8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.863 -9.384 -7.185 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.512 -10.529 -7.362 1.00 0.00 H new ATOM 1060 N GLY A 73 5.976 -8.722 -4.779 1.00 0.00 N ATOM 1061 CA GLY A 73 5.894 -9.592 -3.618 1.00 0.00 C ATOM 1062 C GLY A 73 7.229 -9.638 -2.872 1.00 0.00 C ATOM 1063 O GLY A 73 7.783 -10.714 -2.654 1.00 0.00 O ATOM 0 H GLY A 73 6.580 -7.909 -4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.111 -9.237 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.614 -10.598 -3.932 1.00 0.00 H new ATOM 1067 N LEU A 74 7.706 -8.460 -2.502 1.00 0.00 N ATOM 1068 CA LEU A 74 8.965 -8.354 -1.787 1.00 0.00 C ATOM 1069 C LEU A 74 8.722 -7.687 -0.430 1.00 0.00 C ATOM 1070 O LEU A 74 7.618 -7.222 -0.154 1.00 0.00 O ATOM 1071 CB LEU A 74 10.010 -7.638 -2.644 1.00 0.00 C ATOM 1072 CG LEU A 74 10.091 -8.076 -4.107 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.189 -7.310 -4.850 1.00 0.00 C ATOM 1074 CD2 LEU A 74 10.273 -9.589 -4.218 1.00 0.00 C ATOM 0 H LEU A 74 7.243 -7.570 -2.684 1.00 0.00 H new ATOM 0 HA LEU A 74 9.374 -9.345 -1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.802 -6.568 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.988 -7.785 -2.187 1.00 0.00 H new ATOM 0 HG LEU A 74 9.145 -7.830 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.225 -7.641 -5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.974 -6.242 -4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.151 -7.501 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.327 -9.873 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.194 -9.883 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.427 -10.093 -3.750 1.00 0.00 H new ATOM 1086 N SER A 75 9.770 -7.663 0.379 1.00 0.00 N ATOM 1087 CA SER A 75 9.684 -7.062 1.699 1.00 0.00 C ATOM 1088 C SER A 75 9.622 -5.538 1.576 1.00 0.00 C ATOM 1089 O SER A 75 10.126 -4.968 0.610 1.00 0.00 O ATOM 1090 CB SER A 75 10.869 -7.477 2.572 1.00 0.00 C ATOM 1091 OG SER A 75 10.567 -8.609 3.381 1.00 0.00 O ATOM 0 H SER A 75 10.684 -8.050 0.146 1.00 0.00 H new ATOM 0 HA SER A 75 8.773 -7.419 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.725 -7.704 1.937 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.158 -6.642 3.210 1.00 0.00 H new ATOM 0 HG SER A 75 11.389 -8.940 3.800 1.00 0.00 H new ATOM 1097 N GLN A 76 8.997 -4.922 2.571 1.00 0.00 N ATOM 1098 CA GLN A 76 8.863 -3.475 2.586 1.00 0.00 C ATOM 1099 C GLN A 76 10.231 -2.818 2.766 1.00 0.00 C ATOM 1100 O GLN A 76 10.358 -1.599 2.648 1.00 0.00 O ATOM 1101 CB GLN A 76 7.889 -3.027 3.679 1.00 0.00 C ATOM 1102 CG GLN A 76 8.584 -2.975 5.042 1.00 0.00 C ATOM 1103 CD GLN A 76 9.080 -4.362 5.457 1.00 0.00 C ATOM 1104 OE1 GLN A 76 10.026 -4.902 4.907 1.00 0.00 O ATOM 1105 NE2 GLN A 76 8.392 -4.907 6.456 1.00 0.00 N ATOM 0 H GLN A 76 8.579 -5.398 3.370 1.00 0.00 H new ATOM 0 HA GLN A 76 8.453 -3.156 1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.488 -2.044 3.433 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.044 -3.714 3.723 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.424 -2.282 5.000 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.892 -2.592 5.793 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.610 -4.401 6.872 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.646 -5.831 6.806 1.00 0.00 H new ATOM 1114 N GLU A 77 11.222 -3.651 3.048 1.00 0.00 N ATOM 1115 CA GLU A 77 12.577 -3.165 3.246 1.00 0.00 C ATOM 1116 C GLU A 77 12.905 -2.079 2.220 1.00 0.00 C ATOM 1117 O GLU A 77 12.949 -0.896 2.554 1.00 0.00 O ATOM 1118 CB GLU A 77 13.587 -4.312 3.174 1.00 0.00 C ATOM 1119 CG GLU A 77 13.347 -5.323 4.297 1.00 0.00 C ATOM 1120 CD GLU A 77 14.037 -6.655 3.991 1.00 0.00 C ATOM 1121 OE1 GLU A 77 15.217 -6.604 3.584 1.00 0.00 O ATOM 1122 OE2 GLU A 77 13.367 -7.695 4.171 1.00 0.00 O ATOM 0 H GLU A 77 11.113 -4.661 3.144 1.00 0.00 H new ATOM 0 HA GLU A 77 12.645 -2.728 4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.509 -4.810 2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.600 -3.915 3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.723 -4.922 5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.276 -5.484 4.424 1.00 0.00 H new ATOM 1129 N ARG A 78 13.130 -2.521 0.989 1.00 0.00 N ATOM 1130 CA ARG A 78 13.454 -1.602 -0.086 1.00 0.00 C ATOM 1131 C ARG A 78 12.360 -0.542 -0.229 1.00 0.00 C ATOM 1132 O ARG A 78 12.627 0.652 -0.099 1.00 0.00 O ATOM 1133 CB ARG A 78 13.611 -2.343 -1.416 1.00 0.00 C ATOM 1134 CG ARG A 78 14.630 -3.477 -1.294 1.00 0.00 C ATOM 1135 CD ARG A 78 13.981 -4.833 -1.585 1.00 0.00 C ATOM 1136 NE ARG A 78 14.384 -5.311 -2.926 1.00 0.00 N ATOM 1137 CZ ARG A 78 14.198 -6.564 -3.364 1.00 0.00 C ATOM 1138 NH1 ARG A 78 13.613 -7.471 -2.569 1.00 0.00 N ATOM 1139 NH2 ARG A 78 14.597 -6.908 -4.595 1.00 0.00 N ATOM 0 H ARG A 78 13.094 -3.503 0.715 1.00 0.00 H new ATOM 0 HA ARG A 78 14.400 -1.121 0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.648 -2.747 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.929 -1.645 -2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.453 -3.307 -1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 78 15.056 -3.482 -0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.279 -5.558 -0.827 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.896 -4.745 -1.533 1.00 0.00 H new ATOM 0 HE ARG A 78 14.831 -4.645 -3.556 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.310 -7.207 -1.631 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.471 -8.425 -2.902 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.042 -6.217 -5.199 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.456 -7.861 -4.929 1.00 0.00 H new ATOM 1153 N ALA A 79 11.151 -1.016 -0.493 1.00 0.00 N ATOM 1154 CA ALA A 79 10.014 -0.124 -0.653 1.00 0.00 C ATOM 1155 C ALA A 79 10.002 0.889 0.494 1.00 0.00 C ATOM 1156 O ALA A 79 10.527 1.994 0.357 1.00 0.00 O ATOM 1157 CB ALA A 79 8.726 -0.947 -0.719 1.00 0.00 C ATOM 0 H ALA A 79 10.934 -2.007 -0.600 1.00 0.00 H new ATOM 0 HA ALA A 79 10.091 0.435 -1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.873 -0.279 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.774 -1.630 -1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.612 -1.519 0.202 1.00 0.00 H new ATOM 1163 N ALA A 80 9.397 0.478 1.599 1.00 0.00 N ATOM 1164 CA ALA A 80 9.309 1.335 2.766 1.00 0.00 C ATOM 1165 C ALA A 80 10.025 2.657 2.480 1.00 0.00 C ATOM 1166 O ALA A 80 9.386 3.649 2.134 1.00 0.00 O ATOM 1167 CB ALA A 80 9.896 0.608 3.979 1.00 0.00 C ATOM 0 H ALA A 80 8.963 -0.438 1.709 1.00 0.00 H new ATOM 0 HA ALA A 80 8.268 1.565 2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.830 1.252 4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.336 -0.310 4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.941 0.363 3.786 1.00 0.00 H new ATOM 1173 N GLU A 81 11.339 2.628 2.634 1.00 0.00 N ATOM 1174 CA GLU A 81 12.148 3.811 2.394 1.00 0.00 C ATOM 1175 C GLU A 81 11.683 4.524 1.123 1.00 0.00 C ATOM 1176 O GLU A 81 11.141 5.627 1.187 1.00 0.00 O ATOM 1177 CB GLU A 81 13.633 3.454 2.309 1.00 0.00 C ATOM 1178 CG GLU A 81 14.507 4.703 2.451 1.00 0.00 C ATOM 1179 CD GLU A 81 15.970 4.321 2.685 1.00 0.00 C ATOM 1180 OE1 GLU A 81 16.661 4.080 1.673 1.00 0.00 O ATOM 1181 OE2 GLU A 81 16.364 4.283 3.870 1.00 0.00 O ATOM 0 H GLU A 81 11.865 1.803 2.922 1.00 0.00 H new ATOM 0 HA GLU A 81 12.019 4.490 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.884 2.739 3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.840 2.968 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.426 5.313 1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 81 14.148 5.311 3.282 1.00 0.00 H new ATOM 1188 N LEU A 82 11.908 3.863 -0.003 1.00 0.00 N ATOM 1189 CA LEU A 82 11.518 4.421 -1.288 1.00 0.00 C ATOM 1190 C LEU A 82 9.999 4.327 -1.440 1.00 0.00 C ATOM 1191 O LEU A 82 9.469 4.498 -2.537 1.00 0.00 O ATOM 1192 CB LEU A 82 12.293 3.746 -2.422 1.00 0.00 C ATOM 1193 CG LEU A 82 13.065 4.681 -3.356 1.00 0.00 C ATOM 1194 CD1 LEU A 82 14.411 4.071 -3.751 1.00 0.00 C ATOM 1195 CD2 LEU A 82 12.223 5.053 -4.577 1.00 0.00 C ATOM 0 H LEU A 82 12.355 2.947 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 82 11.779 5.478 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.998 3.040 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.591 3.166 -3.020 1.00 0.00 H new ATOM 0 HG LEU A 82 13.276 5.605 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.940 4.755 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 82 15.009 3.899 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.245 3.124 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.795 5.718 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.960 4.149 -5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.313 5.557 -4.252 1.00 0.00 H new ATOM 1207 N MET A 83 9.341 4.051 -0.324 1.00 0.00 N ATOM 1208 CA MET A 83 7.892 3.932 -0.319 1.00 0.00 C ATOM 1209 C MET A 83 7.256 4.980 0.596 1.00 0.00 C ATOM 1210 O MET A 83 6.049 5.204 0.546 1.00 0.00 O ATOM 1211 CB MET A 83 7.497 2.533 0.158 1.00 0.00 C ATOM 1212 CG MET A 83 6.006 2.275 -0.071 1.00 0.00 C ATOM 1213 SD MET A 83 5.620 0.569 0.278 1.00 0.00 S ATOM 1214 CE MET A 83 5.502 0.635 2.059 1.00 0.00 C ATOM 0 H MET A 83 9.784 3.906 0.583 1.00 0.00 H new ATOM 0 HA MET A 83 7.531 4.097 -1.334 1.00 0.00 H new ATOM 0 HB2 MET A 83 8.085 1.785 -0.373 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.729 2.427 1.218 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.413 2.929 0.569 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.742 2.513 -1.101 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.911 -0.281 2.485 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.066 1.491 2.430 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.457 0.736 2.351 1.00 0.00 H new ATOM 1224 N THR A 84 8.101 5.597 1.411 1.00 0.00 N ATOM 1225 CA THR A 84 7.639 6.616 2.337 1.00 0.00 C ATOM 1226 C THR A 84 7.871 8.010 1.753 1.00 0.00 C ATOM 1227 O THR A 84 6.932 8.794 1.615 1.00 0.00 O ATOM 1228 CB THR A 84 8.343 6.394 3.676 1.00 0.00 C ATOM 1229 OG1 THR A 84 8.468 4.978 3.772 1.00 0.00 O ATOM 1230 CG2 THR A 84 7.464 6.772 4.870 1.00 0.00 C ATOM 0 H THR A 84 9.103 5.410 1.448 1.00 0.00 H new ATOM 0 HA THR A 84 6.564 6.541 2.503 1.00 0.00 H new ATOM 0 HB THR A 84 9.263 6.978 3.703 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.222 4.678 3.222 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.012 6.595 5.796 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.194 7.826 4.804 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.559 6.165 4.862 1.00 0.00 H new ATOM 1238 N ARG A 85 9.126 8.280 1.425 1.00 0.00 N ATOM 1239 CA ARG A 85 9.492 9.566 0.858 1.00 0.00 C ATOM 1240 C ARG A 85 8.890 9.723 -0.539 1.00 0.00 C ATOM 1241 O ARG A 85 9.610 9.950 -1.509 1.00 0.00 O ATOM 1242 CB ARG A 85 11.012 9.715 0.768 1.00 0.00 C ATOM 1243 CG ARG A 85 11.420 11.191 0.754 1.00 0.00 C ATOM 1244 CD ARG A 85 12.794 11.374 0.107 1.00 0.00 C ATOM 1245 NE ARG A 85 12.998 12.796 -0.248 1.00 0.00 N ATOM 1246 CZ ARG A 85 13.958 13.232 -1.076 1.00 0.00 C ATOM 1247 NH1 ARG A 85 14.805 12.361 -1.639 1.00 0.00 N ATOM 1248 NH2 ARG A 85 14.070 14.542 -1.340 1.00 0.00 N ATOM 0 H ARG A 85 9.903 7.629 1.541 1.00 0.00 H new ATOM 0 HA ARG A 85 9.099 10.341 1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.481 9.213 1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.376 9.225 -0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.677 11.772 0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.440 11.576 1.773 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.575 11.046 0.793 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.871 10.753 -0.785 1.00 0.00 H new ATOM 0 HE ARG A 85 12.370 13.487 0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.720 11.365 -1.438 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.535 12.694 -2.269 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.425 15.206 -0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.800 14.875 -1.970 1.00 0.00 H new ATOM 1262 N THR A 86 7.572 9.594 -0.597 1.00 0.00 N ATOM 1263 CA THR A 86 6.864 9.719 -1.858 1.00 0.00 C ATOM 1264 C THR A 86 6.518 11.184 -2.134 1.00 0.00 C ATOM 1265 O THR A 86 6.857 11.718 -3.189 1.00 0.00 O ATOM 1266 CB THR A 86 5.636 8.805 -1.806 1.00 0.00 C ATOM 1267 OG1 THR A 86 6.184 7.490 -1.792 1.00 0.00 O ATOM 1268 CG2 THR A 86 4.812 8.853 -3.094 1.00 0.00 C ATOM 0 H THR A 86 6.977 9.404 0.209 1.00 0.00 H new ATOM 0 HA THR A 86 7.488 9.402 -2.693 1.00 0.00 H new ATOM 0 HB THR A 86 5.006 9.092 -0.964 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.187 7.147 -0.874 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.954 8.187 -3.002 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.464 9.872 -3.265 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.430 8.535 -3.933 1.00 0.00 H new ATOM 1276 N SER A 87 5.846 11.792 -1.167 1.00 0.00 N ATOM 1277 CA SER A 87 5.451 13.184 -1.292 1.00 0.00 C ATOM 1278 C SER A 87 5.164 13.517 -2.758 1.00 0.00 C ATOM 1279 O SER A 87 6.025 14.051 -3.456 1.00 0.00 O ATOM 1280 CB SER A 87 6.531 14.116 -0.738 1.00 0.00 C ATOM 1281 OG SER A 87 6.357 14.365 0.655 1.00 0.00 O ATOM 0 H SER A 87 5.565 11.346 -0.294 1.00 0.00 H new ATOM 0 HA SER A 87 4.544 13.335 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.513 13.674 -0.908 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.508 15.061 -1.281 1.00 0.00 H new ATOM 0 HG SER A 87 7.066 14.962 0.972 1.00 0.00 H new ATOM 1287 N SER A 88 3.951 13.188 -3.179 1.00 0.00 N ATOM 1288 CA SER A 88 3.540 13.447 -4.550 1.00 0.00 C ATOM 1289 C SER A 88 2.495 12.418 -4.985 1.00 0.00 C ATOM 1290 O SER A 88 1.398 12.782 -5.404 1.00 0.00 O ATOM 1291 CB SER A 88 4.740 13.418 -5.498 1.00 0.00 C ATOM 1292 OG SER A 88 4.359 13.091 -6.833 1.00 0.00 O ATOM 0 H SER A 88 3.240 12.745 -2.596 1.00 0.00 H new ATOM 0 HA SER A 88 3.100 14.443 -4.594 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.232 14.390 -5.489 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.467 12.689 -5.140 1.00 0.00 H new ATOM 0 HG SER A 88 5.153 13.084 -7.407 1.00 0.00 H new ATOM 1298 N VAL A 89 2.872 11.152 -4.870 1.00 0.00 N ATOM 1299 CA VAL A 89 1.980 10.070 -5.245 1.00 0.00 C ATOM 1300 C VAL A 89 2.627 8.732 -4.878 1.00 0.00 C ATOM 1301 O VAL A 89 3.712 8.410 -5.358 1.00 0.00 O ATOM 1302 CB VAL A 89 1.628 10.173 -6.730 1.00 0.00 C ATOM 1303 CG1 VAL A 89 2.793 9.703 -7.606 1.00 0.00 C ATOM 1304 CG2 VAL A 89 0.353 9.388 -7.048 1.00 0.00 C ATOM 0 H VAL A 89 3.783 10.853 -4.522 1.00 0.00 H new ATOM 0 HA VAL A 89 1.042 10.141 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 89 1.441 11.223 -6.956 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.515 9.787 -8.657 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.668 10.323 -7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.026 8.664 -7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.126 9.478 -8.110 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.500 8.338 -6.796 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.476 9.788 -6.464 1.00 0.00 H new ATOM 1314 N VAL A 90 1.932 7.990 -4.026 1.00 0.00 N ATOM 1315 CA VAL A 90 2.424 6.695 -3.589 1.00 0.00 C ATOM 1316 C VAL A 90 1.650 5.589 -4.309 1.00 0.00 C ATOM 1317 O VAL A 90 0.542 5.238 -3.906 1.00 0.00 O ATOM 1318 CB VAL A 90 2.336 6.591 -2.066 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.725 6.431 -1.445 1.00 0.00 C ATOM 1320 CG2 VAL A 90 1.607 7.798 -1.474 1.00 0.00 C ATOM 0 H VAL A 90 1.033 8.262 -3.628 1.00 0.00 H new ATOM 0 HA VAL A 90 3.476 6.578 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 90 1.757 5.699 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.633 6.359 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.194 5.525 -1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.340 7.294 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.559 7.698 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.146 8.710 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.596 7.847 -1.879 1.00 0.00 H new ATOM 1330 N THR A 91 2.264 5.071 -5.363 1.00 0.00 N ATOM 1331 CA THR A 91 1.646 4.012 -6.143 1.00 0.00 C ATOM 1332 C THR A 91 2.138 2.644 -5.669 1.00 0.00 C ATOM 1333 O THR A 91 3.297 2.288 -5.880 1.00 0.00 O ATOM 1334 CB THR A 91 1.937 4.284 -7.621 1.00 0.00 C ATOM 1335 OG1 THR A 91 3.292 4.730 -7.633 1.00 0.00 O ATOM 1336 CG2 THR A 91 1.149 5.477 -8.164 1.00 0.00 C ATOM 0 H THR A 91 3.183 5.365 -5.695 1.00 0.00 H new ATOM 0 HA THR A 91 0.565 3.998 -6.006 1.00 0.00 H new ATOM 0 HB THR A 91 1.700 3.395 -8.206 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.868 4.016 -7.976 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.393 5.626 -9.216 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.081 5.284 -8.063 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.411 6.373 -7.601 1.00 0.00 H new ATOM 1344 N LEU A 92 1.233 1.913 -5.035 1.00 0.00 N ATOM 1345 CA LEU A 92 1.561 0.591 -4.529 1.00 0.00 C ATOM 1346 C LEU A 92 0.582 -0.431 -5.113 1.00 0.00 C ATOM 1347 O LEU A 92 -0.520 -0.075 -5.523 1.00 0.00 O ATOM 1348 CB LEU A 92 1.601 0.598 -2.999 1.00 0.00 C ATOM 1349 CG LEU A 92 2.216 1.839 -2.350 1.00 0.00 C ATOM 1350 CD1 LEU A 92 1.149 2.902 -2.077 1.00 0.00 C ATOM 1351 CD2 LEU A 92 2.993 1.468 -1.085 1.00 0.00 C ATOM 0 H LEU A 92 0.273 2.211 -4.860 1.00 0.00 H new ATOM 0 HA LEU A 92 2.560 0.297 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.582 0.486 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.160 -0.277 -2.666 1.00 0.00 H new ATOM 0 HG LEU A 92 2.930 2.273 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.613 3.773 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.679 3.196 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.393 2.495 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.420 2.368 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.319 0.997 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.794 0.774 -1.340 1.00 0.00 H new ATOM 1363 N GLU A 93 1.024 -1.680 -5.132 1.00 0.00 N ATOM 1364 CA GLU A 93 0.201 -2.756 -5.660 1.00 0.00 C ATOM 1365 C GLU A 93 -0.380 -3.589 -4.516 1.00 0.00 C ATOM 1366 O GLU A 93 0.362 -4.237 -3.777 1.00 0.00 O ATOM 1367 CB GLU A 93 0.999 -3.631 -6.627 1.00 0.00 C ATOM 1368 CG GLU A 93 0.067 -4.457 -7.515 1.00 0.00 C ATOM 1369 CD GLU A 93 -0.786 -5.412 -6.680 1.00 0.00 C ATOM 1370 OE1 GLU A 93 -0.252 -5.907 -5.663 1.00 0.00 O ATOM 1371 OE2 GLU A 93 -1.953 -5.625 -7.073 1.00 0.00 O ATOM 0 H GLU A 93 1.940 -1.971 -4.791 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.625 -2.316 -6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.638 -3.003 -7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.655 -4.296 -6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.580 -3.792 -8.086 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.655 -5.025 -8.235 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.699 -3.547 -4.406 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.388 -4.291 -3.365 1.00 0.00 C ATOM 1380 C VAL A 94 -3.274 -5.359 -4.009 1.00 0.00 C ATOM 1381 O VAL A 94 -3.463 -5.365 -5.224 1.00 0.00 O ATOM 1382 CB VAL A 94 -3.165 -3.331 -2.463 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -2.247 -2.246 -1.896 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -4.348 -2.712 -3.211 1.00 0.00 C ATOM 0 H VAL A 94 -2.310 -3.009 -5.021 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.672 -4.807 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.561 -3.906 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.825 -1.577 -1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.454 -2.710 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.808 -1.677 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.884 -2.034 -2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.982 -2.159 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.022 -3.502 -3.543 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.798 -6.236 -3.165 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.662 -7.304 -3.635 1.00 0.00 C ATOM 1396 C ALA A 95 -5.663 -7.668 -2.536 1.00 0.00 C ATOM 1397 O ALA A 95 -5.350 -7.573 -1.350 1.00 0.00 O ATOM 1398 CB ALA A 95 -3.809 -8.498 -4.066 1.00 0.00 C ATOM 0 H ALA A 95 -3.640 -6.228 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.233 -6.980 -4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.457 -9.300 -4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.137 -8.194 -4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.223 -8.852 -3.218 1.00 0.00 H new