USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 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 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0583) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.282 K(o=-0.28,f=-1.7) USER MOD Single : A 23 MET CE :methyl 142:sc= -3.93! (180deg=-6.57!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.095 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= -0.662 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.777 K(o=-0.78,f=-6.2!) USER MOD Single : A 65 SER OG : rot 180:sc=-0.000347 USER MOD Single : A 70 SER OG : rot 55:sc= 0.0148 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -11.6! C(o=-12!,f=-15!) USER MOD Single : A 83 MET CE :methyl -127:sc= -8.46! (180deg=-15.6!) USER MOD Single : A 84 THR OG1 : rot 89:sc= 0.154 USER MOD Single : A 86 THR OG1 : rot -110:sc= -2.7! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 62:sc= 0.842 USER MOD Single : A 91 THR OG1 : rot 180:sc= -2.01! USER MOD ----------------------------------------------------------------- ATOM 153 N GLU A 11 -3.868 -5.477 -7.490 1.00 0.00 N ATOM 154 CA GLU A 11 -3.856 -4.437 -8.505 1.00 0.00 C ATOM 155 C GLU A 11 -2.999 -3.256 -8.044 1.00 0.00 C ATOM 156 O GLU A 11 -2.868 -3.011 -6.845 1.00 0.00 O ATOM 157 CB GLU A 11 -5.278 -3.984 -8.843 1.00 0.00 C ATOM 158 CG GLU A 11 -5.739 -4.576 -10.176 1.00 0.00 C ATOM 159 CD GLU A 11 -5.985 -3.475 -11.209 1.00 0.00 C ATOM 160 OE1 GLU A 11 -6.863 -2.629 -10.939 1.00 0.00 O ATOM 161 OE2 GLU A 11 -5.288 -3.506 -12.247 1.00 0.00 O ATOM 0 HA GLU A 11 -3.416 -4.848 -9.414 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.960 -4.291 -8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.315 -2.896 -8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.985 -5.269 -10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.653 -5.150 -10.026 1.00 0.00 H new ATOM 168 N ILE A 12 -2.440 -2.555 -9.018 1.00 0.00 N ATOM 169 CA ILE A 12 -1.600 -1.405 -8.727 1.00 0.00 C ATOM 170 C ILE A 12 -2.486 -0.185 -8.464 1.00 0.00 C ATOM 171 O ILE A 12 -3.103 0.350 -9.384 1.00 0.00 O ATOM 172 CB ILE A 12 -0.578 -1.193 -9.847 1.00 0.00 C ATOM 173 CG1 ILE A 12 0.548 -0.262 -9.391 1.00 0.00 C ATOM 174 CG2 ILE A 12 -1.258 -0.688 -11.121 1.00 0.00 C ATOM 175 CD1 ILE A 12 1.917 -0.902 -9.623 1.00 0.00 C ATOM 0 H ILE A 12 -2.552 -2.761 -10.011 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.017 -1.577 -7.822 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.125 -2.156 -10.084 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.487 0.681 -9.934 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.426 -0.029 -8.333 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.510 -0.546 -11.901 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.995 -1.419 -11.454 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.754 0.261 -10.917 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.699 -0.219 -9.290 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.984 -1.833 -9.059 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.046 -1.111 -10.685 1.00 0.00 H new ATOM 187 N ILE A 13 -2.521 0.218 -7.202 1.00 0.00 N ATOM 188 CA ILE A 13 -3.321 1.363 -6.805 1.00 0.00 C ATOM 189 C ILE A 13 -2.417 2.590 -6.676 1.00 0.00 C ATOM 190 O ILE A 13 -1.237 2.467 -6.348 1.00 0.00 O ATOM 191 CB ILE A 13 -4.116 1.049 -5.537 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.463 -0.439 -5.462 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.360 1.935 -5.435 1.00 0.00 C ATOM 194 CD1 ILE A 13 -5.820 -0.652 -4.788 1.00 0.00 C ATOM 0 H ILE A 13 -2.008 -0.228 -6.442 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.064 1.592 -7.569 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.488 1.277 -4.675 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.481 -0.863 -6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.690 -0.969 -4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.907 1.691 -4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.059 2.982 -5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.001 1.764 -6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.043 -1.718 -4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.791 -0.249 -3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.595 -0.141 -5.360 1.00 0.00 H new ATOM 206 N THR A 14 -3.004 3.751 -6.941 1.00 0.00 N ATOM 207 CA THR A 14 -2.266 4.999 -6.859 1.00 0.00 C ATOM 208 C THR A 14 -3.106 6.070 -6.161 1.00 0.00 C ATOM 209 O THR A 14 -4.315 6.145 -6.365 1.00 0.00 O ATOM 210 CB THR A 14 -1.837 5.390 -8.275 1.00 0.00 C ATOM 211 OG1 THR A 14 -3.065 5.510 -8.987 1.00 0.00 O ATOM 212 CG2 THR A 14 -1.098 4.260 -8.996 1.00 0.00 C ATOM 0 H THR A 14 -3.982 3.851 -7.212 1.00 0.00 H new ATOM 0 HA THR A 14 -1.368 4.888 -6.252 1.00 0.00 H new ATOM 0 HB THR A 14 -1.198 6.272 -8.231 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.881 5.763 -9.916 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.816 4.590 -9.996 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.202 3.995 -8.435 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.749 3.389 -9.071 1.00 0.00 H new ATOM 220 N VAL A 15 -2.429 6.870 -5.350 1.00 0.00 N ATOM 221 CA VAL A 15 -3.099 7.933 -4.620 1.00 0.00 C ATOM 222 C VAL A 15 -2.186 9.161 -4.565 1.00 0.00 C ATOM 223 O VAL A 15 -0.963 9.030 -4.575 1.00 0.00 O ATOM 224 CB VAL A 15 -3.518 7.436 -3.235 1.00 0.00 C ATOM 225 CG1 VAL A 15 -2.307 6.936 -2.444 1.00 0.00 C ATOM 226 CG2 VAL A 15 -4.265 8.525 -2.464 1.00 0.00 C ATOM 0 H VAL A 15 -1.425 6.804 -5.183 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.014 8.230 -5.132 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.200 6.596 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.631 6.588 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.835 6.114 -2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.591 7.749 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.551 8.145 -1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.618 9.394 -2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.159 8.814 -3.016 1.00 0.00 H new ATOM 236 N THR A 16 -2.817 10.324 -4.506 1.00 0.00 N ATOM 237 CA THR A 16 -2.076 11.575 -4.447 1.00 0.00 C ATOM 238 C THR A 16 -2.333 12.284 -3.117 1.00 0.00 C ATOM 239 O THR A 16 -3.374 12.085 -2.494 1.00 0.00 O ATOM 240 CB THR A 16 -2.464 12.412 -5.669 1.00 0.00 C ATOM 241 OG1 THR A 16 -3.802 12.011 -5.953 1.00 0.00 O ATOM 242 CG2 THR A 16 -1.683 12.015 -6.923 1.00 0.00 C ATOM 0 H THR A 16 -3.832 10.428 -4.498 1.00 0.00 H new ATOM 0 HA THR A 16 -1.001 11.401 -4.483 1.00 0.00 H new ATOM 0 HB THR A 16 -2.294 13.467 -5.455 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.134 12.506 -6.731 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.997 12.639 -7.760 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.616 12.154 -6.747 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.879 10.969 -7.158 1.00 0.00 H new ATOM 250 N LEU A 17 -1.366 13.100 -2.722 1.00 0.00 N ATOM 251 CA LEU A 17 -1.474 13.842 -1.477 1.00 0.00 C ATOM 252 C LEU A 17 -2.448 15.006 -1.665 1.00 0.00 C ATOM 253 O LEU A 17 -2.030 16.137 -1.912 1.00 0.00 O ATOM 254 CB LEU A 17 -0.090 14.270 -0.987 1.00 0.00 C ATOM 255 CG LEU A 17 0.600 13.316 -0.010 1.00 0.00 C ATOM 256 CD1 LEU A 17 0.889 14.012 1.322 1.00 0.00 C ATOM 257 CD2 LEU A 17 -0.216 12.036 0.176 1.00 0.00 C ATOM 0 H LEU A 17 -0.504 13.263 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.883 13.209 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.557 14.400 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.181 15.245 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 17 1.560 13.025 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.380 13.313 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.540 14.869 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.047 14.351 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.297 11.376 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.201 12.286 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.327 11.532 -0.784 1.00 0.00 H new ATOM 269 N LYS A 18 -3.728 14.692 -1.542 1.00 0.00 N ATOM 270 CA LYS A 18 -4.764 15.697 -1.696 1.00 0.00 C ATOM 271 C LYS A 18 -4.728 16.649 -0.499 1.00 0.00 C ATOM 272 O LYS A 18 -4.444 17.835 -0.653 1.00 0.00 O ATOM 273 CB LYS A 18 -6.127 15.036 -1.913 1.00 0.00 C ATOM 274 CG LYS A 18 -7.218 16.084 -2.138 1.00 0.00 C ATOM 275 CD LYS A 18 -7.804 15.975 -3.548 1.00 0.00 C ATOM 276 CE LYS A 18 -8.795 17.108 -3.820 1.00 0.00 C ATOM 277 NZ LYS A 18 -10.005 16.949 -2.984 1.00 0.00 N ATOM 0 H LYS A 18 -4.072 13.754 -1.337 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.581 16.296 -2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.078 14.368 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.380 14.424 -1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.010 15.953 -1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.805 17.082 -1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.000 16.006 -4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.305 15.014 -3.664 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.325 18.069 -3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.072 17.112 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.722 17.644 -3.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.385 15.988 -3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.760 17.103 -1.985 1.00 0.00 H new ATOM 291 N LYS A 19 -5.019 16.092 0.668 1.00 0.00 N ATOM 292 CA LYS A 19 -5.022 16.876 1.891 1.00 0.00 C ATOM 293 C LYS A 19 -3.582 17.222 2.274 1.00 0.00 C ATOM 294 O LYS A 19 -3.351 17.989 3.208 1.00 0.00 O ATOM 295 CB LYS A 19 -5.793 16.147 2.994 1.00 0.00 C ATOM 296 CG LYS A 19 -6.255 17.122 4.079 1.00 0.00 C ATOM 297 CD LYS A 19 -7.720 16.882 4.443 1.00 0.00 C ATOM 298 CE LYS A 19 -7.863 16.495 5.916 1.00 0.00 C ATOM 299 NZ LYS A 19 -8.360 17.644 6.707 1.00 0.00 N ATOM 0 H LYS A 19 -5.254 15.107 0.792 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.547 17.819 1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.657 15.640 2.564 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.160 15.378 3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.632 17.006 4.966 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.126 18.147 3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.300 17.782 4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.130 16.092 3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.551 15.655 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.900 16.166 6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.452 17.365 7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.690 18.435 6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.288 17.940 6.344 1.00 0.00 H new ATOM 313 N GLN A 20 -2.650 16.642 1.533 1.00 0.00 N ATOM 314 CA GLN A 20 -1.239 16.880 1.782 1.00 0.00 C ATOM 315 C GLN A 20 -0.902 16.585 3.246 1.00 0.00 C ATOM 316 O GLN A 20 -0.135 17.318 3.868 1.00 0.00 O ATOM 317 CB GLN A 20 -0.849 18.309 1.406 1.00 0.00 C ATOM 318 CG GLN A 20 0.269 18.317 0.363 1.00 0.00 C ATOM 319 CD GLN A 20 1.417 19.233 0.795 1.00 0.00 C ATOM 320 OE1 GLN A 20 2.057 19.031 1.813 1.00 0.00 O ATOM 321 NE2 GLN A 20 1.641 20.247 -0.035 1.00 0.00 N ATOM 0 H GLN A 20 -2.845 16.007 0.759 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.660 16.204 1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.719 18.836 1.015 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.524 18.847 2.296 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.643 17.303 0.218 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.126 18.651 -0.596 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.067 20.358 -0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.387 20.914 0.164 1.00 0.00 H new ATOM 330 N ASN A 21 -1.492 15.513 3.752 1.00 0.00 N ATOM 331 CA ASN A 21 -1.265 15.114 5.130 1.00 0.00 C ATOM 332 C ASN A 21 -0.112 14.110 5.181 1.00 0.00 C ATOM 333 O ASN A 21 -0.070 13.250 6.061 1.00 0.00 O ATOM 334 CB ASN A 21 -2.505 14.440 5.722 1.00 0.00 C ATOM 335 CG ASN A 21 -3.508 15.481 6.222 1.00 0.00 C ATOM 336 OD1 ASN A 21 -3.364 16.674 6.006 1.00 0.00 O ATOM 337 ND2 ASN A 21 -4.528 14.967 6.902 1.00 0.00 N ATOM 0 H ASN A 21 -2.127 14.908 3.232 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.033 16.010 5.706 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.976 13.809 4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.211 13.788 6.545 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.250 15.580 7.279 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.588 13.959 7.047 1.00 0.00 H new ATOM 344 N GLY A 22 0.796 14.251 4.227 1.00 0.00 N ATOM 345 CA GLY A 22 1.948 13.366 4.153 1.00 0.00 C ATOM 346 C GLY A 22 1.580 12.045 3.474 1.00 0.00 C ATOM 347 O GLY A 22 2.274 11.597 2.564 1.00 0.00 O ATOM 0 H GLY A 22 0.758 14.964 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.750 13.853 3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.326 13.171 5.156 1.00 0.00 H new ATOM 351 N MET A 23 0.489 11.459 3.945 1.00 0.00 N ATOM 352 CA MET A 23 0.022 10.197 3.395 1.00 0.00 C ATOM 353 C MET A 23 -1.031 9.559 4.303 1.00 0.00 C ATOM 354 O MET A 23 -2.228 9.644 4.026 1.00 0.00 O ATOM 355 CB MET A 23 1.204 9.240 3.235 1.00 0.00 C ATOM 356 CG MET A 23 1.415 8.869 1.765 1.00 0.00 C ATOM 357 SD MET A 23 3.061 9.324 1.250 1.00 0.00 S ATOM 358 CE MET A 23 3.913 7.781 1.535 1.00 0.00 C ATOM 0 H MET A 23 -0.085 11.834 4.700 1.00 0.00 H new ATOM 0 HA MET A 23 -0.433 10.393 2.424 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.108 9.704 3.630 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.027 8.337 3.820 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.265 7.798 1.627 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.677 9.377 1.144 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.643 7.617 0.742 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.424 7.820 2.497 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.193 6.963 1.540 1.00 0.00 H new ATOM 368 N GLY A 24 -0.549 8.937 5.368 1.00 0.00 N ATOM 369 CA GLY A 24 -1.434 8.284 6.318 1.00 0.00 C ATOM 370 C GLY A 24 -1.774 6.864 5.866 1.00 0.00 C ATOM 371 O GLY A 24 -2.946 6.515 5.731 1.00 0.00 O ATOM 0 H GLY A 24 0.443 8.871 5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.960 8.253 7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.350 8.864 6.425 1.00 0.00 H new ATOM 375 N LEU A 25 -0.728 6.082 5.646 1.00 0.00 N ATOM 376 CA LEU A 25 -0.900 4.705 5.211 1.00 0.00 C ATOM 377 C LEU A 25 -0.135 3.777 6.156 1.00 0.00 C ATOM 378 O LEU A 25 0.882 4.168 6.728 1.00 0.00 O ATOM 379 CB LEU A 25 -0.499 4.554 3.742 1.00 0.00 C ATOM 380 CG LEU A 25 -1.609 4.785 2.716 1.00 0.00 C ATOM 381 CD1 LEU A 25 -1.146 4.403 1.310 1.00 0.00 C ATOM 382 CD2 LEU A 25 -2.890 4.050 3.118 1.00 0.00 C ATOM 0 H LEU A 25 0.242 6.375 5.761 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.950 4.417 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.312 5.252 3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.100 3.550 3.596 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.841 5.850 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.955 4.577 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.284 5.010 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.869 3.349 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.663 4.231 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.691 2.980 3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.230 4.414 4.088 1.00 0.00 H new ATOM 394 N SER A 26 -0.654 2.566 6.294 1.00 0.00 N ATOM 395 CA SER A 26 -0.033 1.580 7.161 1.00 0.00 C ATOM 396 C SER A 26 0.059 0.233 6.440 1.00 0.00 C ATOM 397 O SER A 26 -0.959 -0.341 6.056 1.00 0.00 O ATOM 398 CB SER A 26 -0.812 1.427 8.470 1.00 0.00 C ATOM 399 OG SER A 26 0.035 1.070 9.557 1.00 0.00 O ATOM 0 H SER A 26 -1.498 2.245 5.820 1.00 0.00 H new ATOM 0 HA SER A 26 0.972 1.925 7.405 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.322 2.363 8.700 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.583 0.666 8.346 1.00 0.00 H new ATOM 0 HG SER A 26 -0.500 0.984 10.374 1.00 0.00 H new ATOM 405 N ILE A 27 1.288 -0.232 6.277 1.00 0.00 N ATOM 406 CA ILE A 27 1.527 -1.499 5.609 1.00 0.00 C ATOM 407 C ILE A 27 2.496 -2.338 6.445 1.00 0.00 C ATOM 408 O ILE A 27 3.159 -1.817 7.341 1.00 0.00 O ATOM 409 CB ILE A 27 1.999 -1.267 4.171 1.00 0.00 C ATOM 410 CG1 ILE A 27 3.526 -1.288 4.085 1.00 0.00 C ATOM 411 CG2 ILE A 27 1.410 0.025 3.604 1.00 0.00 C ATOM 412 CD1 ILE A 27 4.008 -0.702 2.756 1.00 0.00 C ATOM 0 H ILE A 27 2.130 0.247 6.597 1.00 0.00 H new ATOM 0 HA ILE A 27 0.600 -2.067 5.529 1.00 0.00 H new ATOM 0 HB ILE A 27 1.631 -2.087 3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.948 -0.718 4.912 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.886 -2.312 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.761 0.167 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.322 -0.038 3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.727 0.869 4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.097 -0.729 2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.603 -1.289 1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.667 0.330 2.668 1.00 0.00 H new ATOM 424 N VAL A 28 2.548 -3.621 6.123 1.00 0.00 N ATOM 425 CA VAL A 28 3.423 -4.538 6.834 1.00 0.00 C ATOM 426 C VAL A 28 3.839 -5.672 5.894 1.00 0.00 C ATOM 427 O VAL A 28 3.012 -6.205 5.158 1.00 0.00 O ATOM 428 CB VAL A 28 2.737 -5.037 8.108 1.00 0.00 C ATOM 429 CG1 VAL A 28 3.442 -6.277 8.660 1.00 0.00 C ATOM 430 CG2 VAL A 28 2.666 -3.930 9.163 1.00 0.00 C ATOM 0 H VAL A 28 1.998 -4.049 5.378 1.00 0.00 H new ATOM 0 HA VAL A 28 4.333 -4.028 7.151 1.00 0.00 H new ATOM 0 HB VAL A 28 1.716 -5.319 7.850 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.935 -6.611 9.565 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.416 -7.072 7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.478 -6.033 8.894 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.174 -4.311 10.058 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.675 -3.602 9.415 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.099 -3.087 8.768 1.00 0.00 H new ATOM 440 N ALA A 29 5.119 -6.005 5.953 1.00 0.00 N ATOM 441 CA ALA A 29 5.654 -7.066 5.116 1.00 0.00 C ATOM 442 C ALA A 29 6.334 -8.114 6.001 1.00 0.00 C ATOM 443 O ALA A 29 7.065 -7.768 6.927 1.00 0.00 O ATOM 444 CB ALA A 29 6.611 -6.468 4.081 1.00 0.00 C ATOM 0 H ALA A 29 5.801 -5.560 6.567 1.00 0.00 H new ATOM 0 HA ALA A 29 4.853 -7.564 4.570 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.012 -7.264 3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.073 -5.752 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.430 -5.962 4.592 1.00 0.00 H new ATOM 450 N ALA A 30 6.069 -9.371 5.684 1.00 0.00 N ATOM 451 CA ALA A 30 6.647 -10.472 6.438 1.00 0.00 C ATOM 452 C ALA A 30 7.757 -11.125 5.610 1.00 0.00 C ATOM 453 O ALA A 30 7.671 -11.179 4.384 1.00 0.00 O ATOM 454 CB ALA A 30 5.545 -11.462 6.821 1.00 0.00 C ATOM 0 H ALA A 30 5.461 -9.654 4.915 1.00 0.00 H new ATOM 0 HA ALA A 30 7.096 -10.110 7.363 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.978 -12.287 7.386 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.798 -10.956 7.432 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.073 -11.849 5.918 1.00 0.00 H new ATOM 576 N GLY A 39 5.630 -11.744 2.223 1.00 0.00 N ATOM 577 CA GLY A 39 4.683 -10.935 1.473 1.00 0.00 C ATOM 578 C GLY A 39 4.400 -9.615 2.194 1.00 0.00 C ATOM 579 O GLY A 39 4.803 -9.430 3.342 1.00 0.00 O ATOM 0 HA2 GLY A 39 5.080 -10.733 0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.753 -11.487 1.339 1.00 0.00 H new ATOM 583 N ILE A 40 3.710 -8.731 1.489 1.00 0.00 N ATOM 584 CA ILE A 40 3.369 -7.431 2.047 1.00 0.00 C ATOM 585 C ILE A 40 1.865 -7.375 2.314 1.00 0.00 C ATOM 586 O ILE A 40 1.116 -8.238 1.857 1.00 0.00 O ATOM 587 CB ILE A 40 3.875 -6.310 1.136 1.00 0.00 C ATOM 588 CG1 ILE A 40 5.244 -6.653 0.549 1.00 0.00 C ATOM 589 CG2 ILE A 40 3.886 -4.969 1.875 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.616 -5.686 -0.577 1.00 0.00 C ATOM 0 H ILE A 40 3.378 -8.888 0.538 1.00 0.00 H new ATOM 0 HA ILE A 40 3.868 -7.283 3.005 1.00 0.00 H new ATOM 0 HB ILE A 40 3.184 -6.212 0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.000 -6.612 1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.235 -7.674 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.249 -4.188 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.875 -4.725 2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.541 -5.037 2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.594 -5.952 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.871 -5.747 -1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.648 -4.669 -0.187 1.00 0.00 H new ATOM 602 N TYR A 41 1.467 -6.352 3.057 1.00 0.00 N ATOM 603 CA TYR A 41 0.063 -6.174 3.391 1.00 0.00 C ATOM 604 C TYR A 41 -0.204 -4.752 3.888 1.00 0.00 C ATOM 605 O TYR A 41 0.730 -4.002 4.167 1.00 0.00 O ATOM 606 CB TYR A 41 -0.229 -7.159 4.525 1.00 0.00 C ATOM 607 CG TYR A 41 0.164 -8.604 4.209 1.00 0.00 C ATOM 608 CD1 TYR A 41 -0.668 -9.393 3.441 1.00 0.00 C ATOM 609 CD2 TYR A 41 1.350 -9.119 4.693 1.00 0.00 C ATOM 610 CE1 TYR A 41 -0.299 -10.753 3.144 1.00 0.00 C ATOM 611 CE2 TYR A 41 1.719 -10.479 4.397 1.00 0.00 C ATOM 612 CZ TYR A 41 0.876 -11.229 3.636 1.00 0.00 C ATOM 613 OH TYR A 41 1.224 -12.513 3.356 1.00 0.00 O ATOM 0 H TYR A 41 2.090 -5.639 3.436 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.565 -6.345 2.516 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.303 -6.836 5.420 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.293 -7.125 4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.596 -8.990 3.063 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.001 -8.502 5.294 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.941 -11.381 2.544 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.643 -10.894 4.770 1.00 0.00 H new ATOM 0 HH TYR A 41 2.088 -12.716 3.771 1.00 0.00 H new ATOM 623 N VAL A 42 -1.484 -4.422 3.981 1.00 0.00 N ATOM 624 CA VAL A 42 -1.888 -3.105 4.438 1.00 0.00 C ATOM 625 C VAL A 42 -2.469 -3.213 5.850 1.00 0.00 C ATOM 626 O VAL A 42 -3.456 -3.917 6.065 1.00 0.00 O ATOM 627 CB VAL A 42 -2.861 -2.477 3.437 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.594 -1.288 4.058 1.00 0.00 C ATOM 629 CG2 VAL A 42 -2.137 -2.067 2.154 1.00 0.00 C ATOM 0 H VAL A 42 -2.256 -5.046 3.747 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.026 -2.441 4.492 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.606 -3.229 3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.279 -0.860 3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.157 -1.622 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.870 -0.532 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.850 -1.624 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.361 -1.339 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.683 -2.946 1.696 1.00 0.00 H new ATOM 639 N LYS A 43 -1.835 -2.506 6.773 1.00 0.00 N ATOM 640 CA LYS A 43 -2.278 -2.514 8.156 1.00 0.00 C ATOM 641 C LYS A 43 -3.557 -1.685 8.284 1.00 0.00 C ATOM 642 O LYS A 43 -4.501 -2.094 8.958 1.00 0.00 O ATOM 643 CB LYS A 43 -1.151 -2.052 9.083 1.00 0.00 C ATOM 644 CG LYS A 43 -1.636 -1.954 10.531 1.00 0.00 C ATOM 645 CD LYS A 43 -1.877 -3.344 11.122 1.00 0.00 C ATOM 646 CE LYS A 43 -1.377 -3.419 12.566 1.00 0.00 C ATOM 647 NZ LYS A 43 -2.077 -4.498 13.301 1.00 0.00 N ATOM 0 H LYS A 43 -1.018 -1.924 6.590 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.523 -3.529 8.470 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.316 -2.750 9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.780 -1.082 8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.897 -1.423 11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.557 -1.373 10.571 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.941 -3.578 11.089 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.367 -4.094 10.517 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.302 -3.602 12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.543 -2.464 13.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.726 -4.536 14.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.099 -4.307 13.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.897 -5.410 12.834 1.00 0.00 H new ATOM 661 N SER A 44 -3.548 -0.536 7.626 1.00 0.00 N ATOM 662 CA SER A 44 -4.696 0.355 7.657 1.00 0.00 C ATOM 663 C SER A 44 -4.248 1.795 7.399 1.00 0.00 C ATOM 664 O SER A 44 -3.051 2.076 7.341 1.00 0.00 O ATOM 665 CB SER A 44 -5.431 0.259 8.995 1.00 0.00 C ATOM 666 OG SER A 44 -6.044 1.493 9.358 1.00 0.00 O ATOM 0 H SER A 44 -2.763 -0.201 7.067 1.00 0.00 H new ATOM 0 HA SER A 44 -5.387 0.050 6.871 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.191 -0.520 8.936 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.729 -0.040 9.773 1.00 0.00 H new ATOM 0 HG SER A 44 -6.504 1.389 10.217 1.00 0.00 H new ATOM 672 N VAL A 45 -5.232 2.669 7.251 1.00 0.00 N ATOM 673 CA VAL A 45 -4.955 4.073 7.000 1.00 0.00 C ATOM 674 C VAL A 45 -4.803 4.804 8.335 1.00 0.00 C ATOM 675 O VAL A 45 -5.547 4.543 9.279 1.00 0.00 O ATOM 676 CB VAL A 45 -6.049 4.672 6.112 1.00 0.00 C ATOM 677 CG1 VAL A 45 -6.210 3.864 4.824 1.00 0.00 C ATOM 678 CG2 VAL A 45 -7.375 4.773 6.868 1.00 0.00 C ATOM 0 H VAL A 45 -6.223 2.432 7.300 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.016 4.186 6.458 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.744 5.682 5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.993 4.310 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.270 3.868 4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.482 2.838 5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.135 5.202 6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.689 3.779 7.186 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.247 5.411 7.743 1.00 0.00 H new ATOM 688 N VAL A 46 -3.832 5.706 8.373 1.00 0.00 N ATOM 689 CA VAL A 46 -3.572 6.476 9.577 1.00 0.00 C ATOM 690 C VAL A 46 -4.892 7.027 10.120 1.00 0.00 C ATOM 691 O VAL A 46 -5.050 7.189 11.328 1.00 0.00 O ATOM 692 CB VAL A 46 -2.543 7.570 9.287 1.00 0.00 C ATOM 693 CG1 VAL A 46 -2.691 8.736 10.265 1.00 0.00 C ATOM 694 CG2 VAL A 46 -1.121 7.006 9.318 1.00 0.00 C ATOM 0 H VAL A 46 -3.216 5.920 7.589 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.142 5.840 10.351 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.732 7.950 8.283 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.947 9.499 10.036 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.690 9.163 10.173 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.542 8.378 11.284 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.408 7.804 9.109 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.917 6.587 10.303 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.023 6.225 8.564 1.00 0.00 H new ATOM 704 N LYS A 47 -5.806 7.298 9.200 1.00 0.00 N ATOM 705 CA LYS A 47 -7.108 7.826 9.570 1.00 0.00 C ATOM 706 C LYS A 47 -7.049 9.355 9.577 1.00 0.00 C ATOM 707 O LYS A 47 -8.029 10.017 9.920 1.00 0.00 O ATOM 708 CB LYS A 47 -7.572 7.226 10.898 1.00 0.00 C ATOM 709 CG LYS A 47 -9.097 7.276 11.021 1.00 0.00 C ATOM 710 CD LYS A 47 -9.730 5.967 10.548 1.00 0.00 C ATOM 711 CE LYS A 47 -11.234 6.133 10.327 1.00 0.00 C ATOM 712 NZ LYS A 47 -11.855 4.833 9.991 1.00 0.00 N ATOM 0 H LYS A 47 -5.670 7.162 8.198 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.859 7.536 8.835 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.231 6.193 10.973 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.119 7.772 11.726 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.375 7.464 12.058 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.486 8.106 10.431 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.256 5.644 9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.552 5.185 11.286 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.696 6.542 11.225 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.413 6.847 9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.876 4.964 9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.425 4.457 9.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.700 4.163 10.771 1.00 0.00 H new ATOM 726 N GLY A 48 -5.893 9.873 9.190 1.00 0.00 N ATOM 727 CA GLY A 48 -5.694 11.312 9.146 1.00 0.00 C ATOM 728 C GLY A 48 -4.654 11.689 8.088 1.00 0.00 C ATOM 729 O GLY A 48 -3.787 12.524 8.337 1.00 0.00 O ATOM 0 H GLY A 48 -5.084 9.322 8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.640 11.807 8.924 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.369 11.668 10.124 1.00 0.00 H new ATOM 733 N GLY A 49 -4.777 11.056 6.930 1.00 0.00 N ATOM 734 CA GLY A 49 -3.859 11.315 5.835 1.00 0.00 C ATOM 735 C GLY A 49 -4.618 11.568 4.531 1.00 0.00 C ATOM 736 O GLY A 49 -5.843 11.465 4.493 1.00 0.00 O ATOM 0 H GLY A 49 -5.499 10.364 6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.239 12.179 6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.187 10.466 5.710 1.00 0.00 H new ATOM 740 N ALA A 50 -3.858 11.894 3.495 1.00 0.00 N ATOM 741 CA ALA A 50 -4.445 12.163 2.194 1.00 0.00 C ATOM 742 C ALA A 50 -5.085 10.883 1.652 1.00 0.00 C ATOM 743 O ALA A 50 -6.310 10.777 1.588 1.00 0.00 O ATOM 744 CB ALA A 50 -3.372 12.720 1.256 1.00 0.00 C ATOM 0 H ALA A 50 -2.842 11.978 3.531 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.230 12.915 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.812 12.922 0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.970 13.644 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.569 11.991 1.148 1.00 0.00 H new ATOM 750 N ALA A 51 -4.230 9.943 1.279 1.00 0.00 N ATOM 751 CA ALA A 51 -4.697 8.675 0.747 1.00 0.00 C ATOM 752 C ALA A 51 -5.615 8.005 1.770 1.00 0.00 C ATOM 753 O ALA A 51 -6.574 7.327 1.402 1.00 0.00 O ATOM 754 CB ALA A 51 -3.495 7.802 0.378 1.00 0.00 C ATOM 0 H ALA A 51 -3.216 10.034 1.335 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.277 8.830 -0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.845 6.850 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.893 8.311 -0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.890 7.622 1.266 1.00 0.00 H new ATOM 760 N ASP A 52 -5.289 8.213 3.037 1.00 0.00 N ATOM 761 CA ASP A 52 -6.071 7.636 4.118 1.00 0.00 C ATOM 762 C ASP A 52 -7.548 7.983 3.912 1.00 0.00 C ATOM 763 O ASP A 52 -8.396 7.094 3.877 1.00 0.00 O ATOM 764 CB ASP A 52 -5.637 8.200 5.472 1.00 0.00 C ATOM 765 CG ASP A 52 -6.780 8.495 6.445 1.00 0.00 C ATOM 766 OD1 ASP A 52 -7.579 7.563 6.681 1.00 0.00 O ATOM 767 OD2 ASP A 52 -6.829 9.645 6.931 1.00 0.00 O ATOM 0 H ASP A 52 -4.493 8.774 3.340 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.916 6.557 4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.954 7.492 5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.077 9.120 5.303 1.00 0.00 H new ATOM 772 N VAL A 53 -7.807 9.275 3.782 1.00 0.00 N ATOM 773 CA VAL A 53 -9.166 9.749 3.582 1.00 0.00 C ATOM 774 C VAL A 53 -9.551 9.571 2.111 1.00 0.00 C ATOM 775 O VAL A 53 -10.373 8.717 1.781 1.00 0.00 O ATOM 776 CB VAL A 53 -9.291 11.196 4.061 1.00 0.00 C ATOM 777 CG1 VAL A 53 -10.732 11.692 3.935 1.00 0.00 C ATOM 778 CG2 VAL A 53 -8.785 11.342 5.498 1.00 0.00 C ATOM 0 H VAL A 53 -7.099 10.009 3.811 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.867 9.162 4.176 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.666 11.817 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.793 12.723 4.282 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.044 11.641 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.387 11.066 4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.885 12.380 5.815 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.373 10.703 6.157 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.737 11.047 5.546 1.00 0.00 H new ATOM 788 N ASP A 54 -8.940 10.391 1.269 1.00 0.00 N ATOM 789 CA ASP A 54 -9.209 10.335 -0.158 1.00 0.00 C ATOM 790 C ASP A 54 -9.223 8.874 -0.613 1.00 0.00 C ATOM 791 O ASP A 54 -10.240 8.381 -1.096 1.00 0.00 O ATOM 792 CB ASP A 54 -8.127 11.067 -0.952 1.00 0.00 C ATOM 793 CG ASP A 54 -8.199 10.881 -2.468 1.00 0.00 C ATOM 794 OD1 ASP A 54 -7.991 9.729 -2.909 1.00 0.00 O ATOM 795 OD2 ASP A 54 -8.460 11.892 -3.153 1.00 0.00 O ATOM 0 H ASP A 54 -8.259 11.098 1.547 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.172 10.812 -0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.192 12.132 -0.728 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.151 10.727 -0.606 1.00 0.00 H new ATOM 800 N GLY A 55 -8.081 8.223 -0.442 1.00 0.00 N ATOM 801 CA GLY A 55 -7.948 6.829 -0.829 1.00 0.00 C ATOM 802 C GLY A 55 -9.010 5.966 -0.142 1.00 0.00 C ATOM 803 O GLY A 55 -9.732 5.222 -0.803 1.00 0.00 O ATOM 0 H GLY A 55 -7.239 8.636 -0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.044 6.737 -1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.954 6.468 -0.565 1.00 0.00 H new ATOM 807 N ARG A 56 -9.071 6.096 1.176 1.00 0.00 N ATOM 808 CA ARG A 56 -10.031 5.336 1.957 1.00 0.00 C ATOM 809 C ARG A 56 -9.873 3.839 1.686 1.00 0.00 C ATOM 810 O ARG A 56 -10.862 3.132 1.497 1.00 0.00 O ATOM 811 CB ARG A 56 -11.465 5.760 1.630 1.00 0.00 C ATOM 812 CG ARG A 56 -12.446 5.223 2.673 1.00 0.00 C ATOM 813 CD ARG A 56 -13.827 4.986 2.055 1.00 0.00 C ATOM 814 NE ARG A 56 -14.527 6.277 1.877 1.00 0.00 N ATOM 815 CZ ARG A 56 -15.817 6.391 1.526 1.00 0.00 C ATOM 816 NH1 ARG A 56 -16.552 5.292 1.314 1.00 0.00 N ATOM 817 NH2 ARG A 56 -16.368 7.604 1.387 1.00 0.00 N ATOM 0 H ARG A 56 -8.472 6.716 1.721 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.835 5.538 3.010 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.527 6.848 1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.741 5.391 0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.065 4.291 3.090 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.529 5.931 3.498 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.723 4.483 1.094 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -14.414 4.329 2.697 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.996 7.134 2.031 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.131 4.369 1.419 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -17.533 5.378 1.047 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.807 8.440 1.548 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.349 7.691 1.120 1.00 0.00 H new ATOM 831 N LEU A 57 -8.623 3.402 1.672 1.00 0.00 N ATOM 832 CA LEU A 57 -8.324 2.002 1.425 1.00 0.00 C ATOM 833 C LEU A 57 -8.777 1.168 2.624 1.00 0.00 C ATOM 834 O LEU A 57 -9.042 1.711 3.697 1.00 0.00 O ATOM 835 CB LEU A 57 -6.845 1.824 1.077 1.00 0.00 C ATOM 836 CG LEU A 57 -6.391 2.429 -0.255 1.00 0.00 C ATOM 837 CD1 LEU A 57 -4.914 2.824 -0.201 1.00 0.00 C ATOM 838 CD2 LEU A 57 -6.690 1.479 -1.417 1.00 0.00 C ATOM 0 H LEU A 57 -7.806 3.992 1.828 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.878 1.642 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.249 2.265 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.621 0.757 1.064 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.961 3.341 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.616 3.251 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.763 3.561 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.309 1.942 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.358 1.932 -2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.163 0.538 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.762 1.290 -1.466 1.00 0.00 H new ATOM 850 N ALA A 58 -8.852 -0.135 2.404 1.00 0.00 N ATOM 851 CA ALA A 58 -9.268 -1.049 3.455 1.00 0.00 C ATOM 852 C ALA A 58 -8.033 -1.583 4.181 1.00 0.00 C ATOM 853 O ALA A 58 -6.905 -1.344 3.753 1.00 0.00 O ATOM 854 CB ALA A 58 -10.120 -2.169 2.851 1.00 0.00 C ATOM 0 H ALA A 58 -8.632 -0.581 1.513 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.884 -0.532 4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.432 -2.854 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.001 -1.739 2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.534 -2.712 2.109 1.00 0.00 H new ATOM 860 N ALA A 59 -8.286 -2.297 5.268 1.00 0.00 N ATOM 861 CA ALA A 59 -7.207 -2.869 6.058 1.00 0.00 C ATOM 862 C ALA A 59 -7.156 -4.380 5.824 1.00 0.00 C ATOM 863 O ALA A 59 -8.184 -5.054 5.865 1.00 0.00 O ATOM 864 CB ALA A 59 -7.411 -2.511 7.531 1.00 0.00 C ATOM 0 H ALA A 59 -9.223 -2.493 5.621 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.245 -2.457 5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.603 -2.939 8.125 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.411 -1.427 7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.365 -2.912 7.874 1.00 0.00 H new ATOM 870 N GLY A 60 -5.947 -4.867 5.586 1.00 0.00 N ATOM 871 CA GLY A 60 -5.747 -6.286 5.346 1.00 0.00 C ATOM 872 C GLY A 60 -5.496 -6.562 3.862 1.00 0.00 C ATOM 873 O GLY A 60 -5.655 -7.692 3.401 1.00 0.00 O ATOM 0 H GLY A 60 -5.097 -4.305 5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.901 -6.642 5.934 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.623 -6.842 5.680 1.00 0.00 H new ATOM 877 N ASP A 61 -5.107 -5.511 3.155 1.00 0.00 N ATOM 878 CA ASP A 61 -4.833 -5.625 1.733 1.00 0.00 C ATOM 879 C ASP A 61 -3.399 -6.120 1.533 1.00 0.00 C ATOM 880 O ASP A 61 -2.447 -5.458 1.947 1.00 0.00 O ATOM 881 CB ASP A 61 -4.968 -4.271 1.035 1.00 0.00 C ATOM 882 CG ASP A 61 -6.198 -3.455 1.439 1.00 0.00 C ATOM 883 OD1 ASP A 61 -6.573 -3.545 2.627 1.00 0.00 O ATOM 884 OD2 ASP A 61 -6.735 -2.760 0.550 1.00 0.00 O ATOM 0 H ASP A 61 -4.975 -4.576 3.541 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.553 -6.323 1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.075 -3.681 1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.998 -4.436 -0.042 1.00 0.00 H new ATOM 889 N GLN A 62 -3.290 -7.278 0.898 1.00 0.00 N ATOM 890 CA GLN A 62 -1.987 -7.868 0.638 1.00 0.00 C ATOM 891 C GLN A 62 -1.274 -7.108 -0.482 1.00 0.00 C ATOM 892 O GLN A 62 -1.791 -7.006 -1.593 1.00 0.00 O ATOM 893 CB GLN A 62 -2.117 -9.354 0.297 1.00 0.00 C ATOM 894 CG GLN A 62 -0.760 -9.949 -0.085 1.00 0.00 C ATOM 895 CD GLN A 62 -0.807 -10.569 -1.482 1.00 0.00 C ATOM 896 OE1 GLN A 62 -1.560 -10.154 -2.349 1.00 0.00 O ATOM 897 NE2 GLN A 62 0.037 -11.582 -1.654 1.00 0.00 N ATOM 0 H GLN A 62 -4.081 -7.823 0.556 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.386 -7.788 1.544 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.527 -9.892 1.152 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.819 -9.482 -0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.004 -9.172 -0.054 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.473 -10.707 0.644 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.640 -11.879 -0.887 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.082 -12.062 -2.553 1.00 0.00 H new ATOM 906 N LEU A 63 -0.098 -6.595 -0.149 1.00 0.00 N ATOM 907 CA LEU A 63 0.692 -5.847 -1.114 1.00 0.00 C ATOM 908 C LEU A 63 1.812 -6.740 -1.651 1.00 0.00 C ATOM 909 O LEU A 63 2.203 -7.709 -1.001 1.00 0.00 O ATOM 910 CB LEU A 63 1.189 -4.538 -0.499 1.00 0.00 C ATOM 911 CG LEU A 63 1.827 -3.541 -1.470 1.00 0.00 C ATOM 912 CD1 LEU A 63 0.838 -2.435 -1.842 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.129 -2.978 -0.900 1.00 0.00 C ATOM 0 H LEU A 63 0.327 -6.682 0.774 1.00 0.00 H new ATOM 0 HA LEU A 63 0.078 -5.558 -1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.349 -4.049 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.917 -4.777 0.276 1.00 0.00 H new ATOM 0 HG LEU A 63 2.081 -4.070 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.314 -1.739 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.039 -2.875 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.533 -1.902 -0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.562 -2.273 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.923 -2.467 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.832 -3.793 -0.724 1.00 0.00 H new ATOM 925 N LEU A 64 2.297 -6.383 -2.830 1.00 0.00 N ATOM 926 CA LEU A 64 3.366 -7.139 -3.462 1.00 0.00 C ATOM 927 C LEU A 64 4.348 -6.171 -4.124 1.00 0.00 C ATOM 928 O LEU A 64 5.556 -6.395 -4.100 1.00 0.00 O ATOM 929 CB LEU A 64 2.788 -8.183 -4.421 1.00 0.00 C ATOM 930 CG LEU A 64 2.145 -9.409 -3.769 1.00 0.00 C ATOM 931 CD1 LEU A 64 0.929 -9.880 -4.570 1.00 0.00 C ATOM 932 CD2 LEU A 64 3.170 -10.528 -3.572 1.00 0.00 C ATOM 0 H LEU A 64 1.970 -5.579 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 64 3.928 -7.701 -2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.042 -7.697 -5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.586 -8.523 -5.080 1.00 0.00 H new ATOM 0 HG LEU A 64 1.789 -9.122 -2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.490 -10.752 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.190 -9.080 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.239 -10.144 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.686 -11.387 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.579 -10.821 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.976 -10.174 -2.930 1.00 0.00 H new ATOM 944 N SER A 65 3.790 -5.116 -4.700 1.00 0.00 N ATOM 945 CA SER A 65 4.602 -4.112 -5.369 1.00 0.00 C ATOM 946 C SER A 65 4.582 -2.808 -4.570 1.00 0.00 C ATOM 947 O SER A 65 3.657 -2.561 -3.799 1.00 0.00 O ATOM 948 CB SER A 65 4.110 -3.869 -6.797 1.00 0.00 C ATOM 949 OG SER A 65 4.943 -4.503 -7.763 1.00 0.00 O ATOM 0 H SER A 65 2.786 -4.934 -4.718 1.00 0.00 H new ATOM 0 HA SER A 65 5.626 -4.480 -5.425 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.090 -4.241 -6.897 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.079 -2.797 -6.992 1.00 0.00 H new ATOM 0 HG SER A 65 4.595 -4.326 -8.662 1.00 0.00 H new ATOM 955 N VAL A 66 5.617 -2.006 -4.782 1.00 0.00 N ATOM 956 CA VAL A 66 5.730 -0.733 -4.093 1.00 0.00 C ATOM 957 C VAL A 66 5.999 0.374 -5.113 1.00 0.00 C ATOM 958 O VAL A 66 6.465 0.103 -6.220 1.00 0.00 O ATOM 959 CB VAL A 66 6.805 -0.819 -3.008 1.00 0.00 C ATOM 960 CG1 VAL A 66 7.959 0.142 -3.303 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.212 -0.554 -1.623 1.00 0.00 C ATOM 0 H VAL A 66 6.384 -2.215 -5.421 1.00 0.00 H new ATOM 0 HA VAL A 66 4.795 -0.489 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 66 7.203 -1.834 -3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.710 0.061 -2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.409 -0.114 -4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.581 1.164 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.999 -0.622 -0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.773 0.443 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.441 -1.295 -1.409 1.00 0.00 H new ATOM 971 N ASP A 67 5.694 1.598 -4.708 1.00 0.00 N ATOM 972 CA ASP A 67 5.896 2.746 -5.575 1.00 0.00 C ATOM 973 C ASP A 67 7.397 2.994 -5.741 1.00 0.00 C ATOM 974 O ASP A 67 8.120 3.133 -4.757 1.00 0.00 O ATOM 975 CB ASP A 67 5.273 4.006 -4.972 1.00 0.00 C ATOM 976 CG ASP A 67 6.274 5.079 -4.537 1.00 0.00 C ATOM 977 OD1 ASP A 67 7.051 5.519 -5.411 1.00 0.00 O ATOM 978 OD2 ASP A 67 6.241 5.435 -3.339 1.00 0.00 O ATOM 0 H ASP A 67 5.308 1.820 -3.790 1.00 0.00 H new ATOM 0 HA ASP A 67 5.424 2.533 -6.534 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.592 4.441 -5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.673 3.719 -4.108 1.00 0.00 H new ATOM 983 N GLY A 68 7.820 3.043 -6.996 1.00 0.00 N ATOM 984 CA GLY A 68 9.220 3.271 -7.305 1.00 0.00 C ATOM 985 C GLY A 68 9.962 1.948 -7.501 1.00 0.00 C ATOM 986 O GLY A 68 11.068 1.925 -8.040 1.00 0.00 O ATOM 0 H GLY A 68 7.217 2.929 -7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.303 3.875 -8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.686 3.837 -6.499 1.00 0.00 H new ATOM 990 N ARG A 69 9.326 0.878 -7.049 1.00 0.00 N ATOM 991 CA ARG A 69 9.912 -0.447 -7.166 1.00 0.00 C ATOM 992 C ARG A 69 8.813 -1.506 -7.278 1.00 0.00 C ATOM 993 O ARG A 69 8.048 -1.714 -6.336 1.00 0.00 O ATOM 994 CB ARG A 69 10.798 -0.766 -5.960 1.00 0.00 C ATOM 995 CG ARG A 69 11.913 0.272 -5.810 1.00 0.00 C ATOM 996 CD ARG A 69 12.952 -0.186 -4.782 1.00 0.00 C ATOM 997 NE ARG A 69 14.310 -0.096 -5.362 1.00 0.00 N ATOM 998 CZ ARG A 69 14.808 -0.967 -6.251 1.00 0.00 C ATOM 999 NH1 ARG A 69 14.063 -1.998 -6.667 1.00 0.00 N ATOM 1000 NH2 ARG A 69 16.051 -0.805 -6.724 1.00 0.00 N ATOM 0 H ARG A 69 8.410 0.901 -6.601 1.00 0.00 H new ATOM 0 HA ARG A 69 10.526 -0.460 -8.067 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.192 -0.788 -5.054 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.233 -1.759 -6.076 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.396 0.434 -6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.487 1.227 -5.502 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.888 0.433 -3.887 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.745 -1.211 -4.476 1.00 0.00 H new ATOM 0 HE ARG A 69 14.905 0.678 -5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.116 -2.121 -6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.442 -2.661 -7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.619 -0.019 -6.408 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.430 -1.468 -7.400 1.00 0.00 H new ATOM 1014 N SER A 70 8.768 -2.148 -8.436 1.00 0.00 N ATOM 1015 CA SER A 70 7.776 -3.179 -8.683 1.00 0.00 C ATOM 1016 C SER A 70 8.233 -4.503 -8.064 1.00 0.00 C ATOM 1017 O SER A 70 8.645 -5.414 -8.778 1.00 0.00 O ATOM 1018 CB SER A 70 7.522 -3.354 -10.180 1.00 0.00 C ATOM 1019 OG SER A 70 8.733 -3.354 -10.931 1.00 0.00 O ATOM 0 H SER A 70 9.404 -1.973 -9.214 1.00 0.00 H new ATOM 0 HA SER A 70 6.840 -2.870 -8.218 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.990 -4.290 -10.350 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.876 -2.551 -10.534 1.00 0.00 H new ATOM 0 HG SER A 70 9.337 -4.041 -10.578 1.00 0.00 H new ATOM 1025 N LEU A 71 8.143 -4.564 -6.743 1.00 0.00 N ATOM 1026 CA LEU A 71 8.541 -5.762 -6.022 1.00 0.00 C ATOM 1027 C LEU A 71 7.812 -6.972 -6.609 1.00 0.00 C ATOM 1028 O LEU A 71 8.446 -7.950 -7.003 1.00 0.00 O ATOM 1029 CB LEU A 71 8.319 -5.579 -4.519 1.00 0.00 C ATOM 1030 CG LEU A 71 7.907 -4.177 -4.066 1.00 0.00 C ATOM 1031 CD1 LEU A 71 7.390 -4.195 -2.627 1.00 0.00 C ATOM 1032 CD2 LEU A 71 9.054 -3.182 -4.253 1.00 0.00 C ATOM 0 H LEU A 71 7.801 -3.805 -6.154 1.00 0.00 H new ATOM 0 HA LEU A 71 9.609 -5.944 -6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.552 -6.283 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.239 -5.851 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 71 7.084 -3.841 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.104 -3.186 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.523 -4.852 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.174 -4.560 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.735 -2.193 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.913 -3.502 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.332 -3.141 -5.306 1.00 0.00 H new ATOM 1044 N VAL A 72 6.494 -6.867 -6.648 1.00 0.00 N ATOM 1045 CA VAL A 72 5.672 -7.941 -7.181 1.00 0.00 C ATOM 1046 C VAL A 72 5.516 -9.032 -6.119 1.00 0.00 C ATOM 1047 O VAL A 72 4.774 -9.993 -6.316 1.00 0.00 O ATOM 1048 CB VAL A 72 6.273 -8.459 -8.489 1.00 0.00 C ATOM 1049 CG1 VAL A 72 7.029 -7.351 -9.222 1.00 0.00 C ATOM 1050 CG2 VAL A 72 7.178 -9.667 -8.236 1.00 0.00 C ATOM 0 H VAL A 72 5.973 -6.054 -6.319 1.00 0.00 H new ATOM 0 HA VAL A 72 4.673 -7.576 -7.421 1.00 0.00 H new ATOM 0 HB VAL A 72 5.453 -8.784 -9.129 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.446 -7.746 -10.148 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.345 -6.534 -9.452 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.836 -6.981 -8.589 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.592 -10.016 -9.182 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.990 -9.380 -7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.597 -10.467 -7.778 1.00 0.00 H new ATOM 1060 N GLY A 73 6.230 -8.848 -5.019 1.00 0.00 N ATOM 1061 CA GLY A 73 6.183 -9.805 -3.926 1.00 0.00 C ATOM 1062 C GLY A 73 7.480 -9.780 -3.117 1.00 0.00 C ATOM 1063 O GLY A 73 8.109 -10.818 -2.914 1.00 0.00 O ATOM 0 H GLY A 73 6.845 -8.050 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.340 -9.576 -3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.017 -10.807 -4.322 1.00 0.00 H new ATOM 1067 N LEU A 74 7.844 -8.584 -2.678 1.00 0.00 N ATOM 1068 CA LEU A 74 9.056 -8.411 -1.896 1.00 0.00 C ATOM 1069 C LEU A 74 8.713 -7.712 -0.579 1.00 0.00 C ATOM 1070 O LEU A 74 7.579 -7.281 -0.378 1.00 0.00 O ATOM 1071 CB LEU A 74 10.124 -7.685 -2.717 1.00 0.00 C ATOM 1072 CG LEU A 74 10.161 -8.013 -4.211 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.207 -7.163 -4.933 1.00 0.00 C ATOM 1074 CD2 LEU A 74 10.379 -9.510 -4.439 1.00 0.00 C ATOM 0 H LEU A 74 7.321 -7.725 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 74 9.486 -9.380 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.972 -6.611 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.100 -7.915 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 74 9.191 -7.761 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.213 -7.416 -5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.964 -6.107 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.191 -7.359 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.401 -9.716 -5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.326 -9.812 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.565 -10.070 -3.979 1.00 0.00 H new ATOM 1086 N SER A 75 9.714 -7.622 0.284 1.00 0.00 N ATOM 1087 CA SER A 75 9.533 -6.983 1.576 1.00 0.00 C ATOM 1088 C SER A 75 9.446 -5.465 1.402 1.00 0.00 C ATOM 1089 O SER A 75 9.949 -4.921 0.421 1.00 0.00 O ATOM 1090 CB SER A 75 10.669 -7.343 2.535 1.00 0.00 C ATOM 1091 OG SER A 75 10.431 -8.580 3.204 1.00 0.00 O ATOM 0 H SER A 75 10.653 -7.981 0.114 1.00 0.00 H new ATOM 0 HA SER A 75 8.601 -7.347 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.606 -7.405 1.981 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.787 -6.549 3.272 1.00 0.00 H new ATOM 0 HG SER A 75 11.179 -8.776 3.806 1.00 0.00 H new ATOM 1097 N GLN A 76 8.807 -4.826 2.371 1.00 0.00 N ATOM 1098 CA GLN A 76 8.649 -3.381 2.337 1.00 0.00 C ATOM 1099 C GLN A 76 9.909 -2.697 2.870 1.00 0.00 C ATOM 1100 O GLN A 76 10.066 -1.485 2.735 1.00 0.00 O ATOM 1101 CB GLN A 76 7.414 -2.946 3.128 1.00 0.00 C ATOM 1102 CG GLN A 76 7.779 -2.612 4.575 1.00 0.00 C ATOM 1103 CD GLN A 76 8.061 -3.885 5.377 1.00 0.00 C ATOM 1104 OE1 GLN A 76 7.163 -4.581 5.821 1.00 0.00 O ATOM 1105 NE2 GLN A 76 9.354 -4.147 5.536 1.00 0.00 N ATOM 0 H GLN A 76 8.393 -5.282 3.184 1.00 0.00 H new ATOM 0 HA GLN A 76 8.503 -3.075 1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.962 -2.075 2.653 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.669 -3.741 3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.656 -1.965 4.593 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.964 -2.057 5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.054 -3.521 5.137 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.647 -4.974 6.057 1.00 0.00 H new ATOM 1114 N GLU A 77 10.777 -3.505 3.463 1.00 0.00 N ATOM 1115 CA GLU A 77 12.019 -2.993 4.017 1.00 0.00 C ATOM 1116 C GLU A 77 12.630 -1.952 3.075 1.00 0.00 C ATOM 1117 O GLU A 77 12.858 -0.809 3.471 1.00 0.00 O ATOM 1118 CB GLU A 77 13.006 -4.128 4.293 1.00 0.00 C ATOM 1119 CG GLU A 77 13.056 -5.107 3.119 1.00 0.00 C ATOM 1120 CD GLU A 77 13.154 -6.551 3.615 1.00 0.00 C ATOM 1121 OE1 GLU A 77 12.705 -6.793 4.755 1.00 0.00 O ATOM 1122 OE2 GLU A 77 13.674 -7.384 2.839 1.00 0.00 O ATOM 0 H GLU A 77 10.644 -4.510 3.572 1.00 0.00 H new ATOM 0 HA GLU A 77 11.798 -2.509 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.999 -3.716 4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.714 -4.657 5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.164 -4.989 2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.912 -4.877 2.485 1.00 0.00 H new ATOM 1129 N ARG A 78 12.876 -2.384 1.847 1.00 0.00 N ATOM 1130 CA ARG A 78 13.456 -1.504 0.848 1.00 0.00 C ATOM 1131 C ARG A 78 12.362 -0.670 0.177 1.00 0.00 C ATOM 1132 O ARG A 78 12.460 0.556 0.118 1.00 0.00 O ATOM 1133 CB ARG A 78 14.205 -2.303 -0.220 1.00 0.00 C ATOM 1134 CG ARG A 78 14.807 -3.579 0.370 1.00 0.00 C ATOM 1135 CD ARG A 78 14.006 -4.811 -0.056 1.00 0.00 C ATOM 1136 NE ARG A 78 14.887 -6.000 -0.090 1.00 0.00 N ATOM 1137 CZ ARG A 78 14.444 -7.265 -0.100 1.00 0.00 C ATOM 1138 NH1 ARG A 78 13.126 -7.513 -0.079 1.00 0.00 N ATOM 1139 NH2 ARG A 78 15.315 -8.281 -0.132 1.00 0.00 N ATOM 0 H ARG A 78 12.684 -3.331 1.522 1.00 0.00 H new ATOM 0 HA ARG A 78 14.161 -0.845 1.355 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.524 -2.560 -1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.996 -1.689 -0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.842 -3.682 0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.822 -3.509 1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.183 -4.978 0.639 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.565 -4.646 -1.039 1.00 0.00 H new ATOM 0 HE ARG A 78 15.895 -5.847 -0.107 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.462 -6.739 -0.055 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.788 -8.475 -0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 78 16.317 -8.093 -0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.976 -9.243 -0.140 1.00 0.00 H new ATOM 1153 N ALA A 79 11.347 -1.365 -0.311 1.00 0.00 N ATOM 1154 CA ALA A 79 10.237 -0.703 -0.974 1.00 0.00 C ATOM 1155 C ALA A 79 9.719 0.431 -0.086 1.00 0.00 C ATOM 1156 O ALA A 79 9.932 1.604 -0.385 1.00 0.00 O ATOM 1157 CB ALA A 79 9.149 -1.730 -1.300 1.00 0.00 C ATOM 0 H ALA A 79 11.269 -2.381 -0.261 1.00 0.00 H new ATOM 0 HA ALA A 79 10.563 -0.262 -1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.316 -1.233 -1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.558 -2.497 -1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.797 -2.192 -0.378 1.00 0.00 H new ATOM 1163 N ALA A 80 9.049 0.038 0.987 1.00 0.00 N ATOM 1164 CA ALA A 80 8.501 1.007 1.921 1.00 0.00 C ATOM 1165 C ALA A 80 9.357 2.274 1.900 1.00 0.00 C ATOM 1166 O ALA A 80 8.858 3.361 1.617 1.00 0.00 O ATOM 1167 CB ALA A 80 8.417 0.382 3.316 1.00 0.00 C ATOM 0 H ALA A 80 8.873 -0.937 1.230 1.00 0.00 H new ATOM 0 HA ALA A 80 7.490 1.290 1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.006 1.109 4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.771 -0.496 3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.414 0.087 3.643 1.00 0.00 H new ATOM 1173 N GLU A 81 10.634 2.089 2.202 1.00 0.00 N ATOM 1174 CA GLU A 81 11.568 3.205 2.222 1.00 0.00 C ATOM 1175 C GLU A 81 11.331 4.115 1.013 1.00 0.00 C ATOM 1176 O GLU A 81 10.895 5.255 1.167 1.00 0.00 O ATOM 1177 CB GLU A 81 13.014 2.709 2.257 1.00 0.00 C ATOM 1178 CG GLU A 81 13.982 3.864 2.514 1.00 0.00 C ATOM 1179 CD GLU A 81 15.319 3.350 3.057 1.00 0.00 C ATOM 1180 OE1 GLU A 81 15.799 2.334 2.509 1.00 0.00 O ATOM 1181 OE2 GLU A 81 15.827 3.983 4.006 1.00 0.00 O ATOM 0 H GLU A 81 11.044 1.185 2.435 1.00 0.00 H new ATOM 0 HA GLU A 81 11.394 3.783 3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.125 1.956 3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.260 2.227 1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.149 4.416 1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.540 4.562 3.226 1.00 0.00 H new ATOM 1188 N LEU A 82 11.628 3.578 -0.161 1.00 0.00 N ATOM 1189 CA LEU A 82 11.452 4.327 -1.393 1.00 0.00 C ATOM 1190 C LEU A 82 9.961 4.573 -1.626 1.00 0.00 C ATOM 1191 O LEU A 82 9.585 5.298 -2.547 1.00 0.00 O ATOM 1192 CB LEU A 82 12.148 3.616 -2.556 1.00 0.00 C ATOM 1193 CG LEU A 82 12.668 4.518 -3.677 1.00 0.00 C ATOM 1194 CD1 LEU A 82 11.716 5.688 -3.927 1.00 0.00 C ATOM 1195 CD2 LEU A 82 14.093 4.989 -3.383 1.00 0.00 C ATOM 0 H LEU A 82 11.990 2.632 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 82 11.928 5.304 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.986 3.045 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.450 2.899 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 82 12.705 3.934 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.110 6.313 -4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.736 5.305 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.622 6.281 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.440 5.629 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.105 5.550 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.751 4.125 -3.296 1.00 0.00 H new ATOM 1207 N MET A 83 9.152 3.960 -0.776 1.00 0.00 N ATOM 1208 CA MET A 83 7.709 4.105 -0.879 1.00 0.00 C ATOM 1209 C MET A 83 7.191 5.148 0.113 1.00 0.00 C ATOM 1210 O MET A 83 6.054 5.603 0.004 1.00 0.00 O ATOM 1211 CB MET A 83 7.039 2.757 -0.599 1.00 0.00 C ATOM 1212 CG MET A 83 5.980 2.442 -1.658 1.00 0.00 C ATOM 1213 SD MET A 83 4.392 2.198 -0.877 1.00 0.00 S ATOM 1214 CE MET A 83 4.871 1.139 0.476 1.00 0.00 C ATOM 0 H MET A 83 9.467 3.362 -0.013 1.00 0.00 H new ATOM 0 HA MET A 83 7.467 4.439 -1.888 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.791 1.968 -0.586 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.578 2.774 0.388 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.919 3.258 -2.378 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.263 1.548 -2.213 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.251 0.242 0.473 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.918 0.857 0.364 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.737 1.670 1.419 1.00 0.00 H new ATOM 1224 N THR A 84 8.050 5.493 1.062 1.00 0.00 N ATOM 1225 CA THR A 84 7.693 6.474 2.072 1.00 0.00 C ATOM 1226 C THR A 84 7.991 7.888 1.572 1.00 0.00 C ATOM 1227 O THR A 84 7.130 8.766 1.632 1.00 0.00 O ATOM 1228 CB THR A 84 8.437 6.117 3.361 1.00 0.00 C ATOM 1229 OG1 THR A 84 8.270 4.706 3.478 1.00 0.00 O ATOM 1230 CG2 THR A 84 7.750 6.677 4.608 1.00 0.00 C ATOM 0 H THR A 84 8.991 5.111 1.152 1.00 0.00 H new ATOM 0 HA THR A 84 6.623 6.455 2.280 1.00 0.00 H new ATOM 0 HB THR A 84 9.458 6.496 3.308 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.002 4.250 3.012 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.318 6.395 5.494 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.701 7.764 4.539 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.741 6.272 4.680 1.00 0.00 H new ATOM 1238 N ARG A 85 9.211 8.068 1.090 1.00 0.00 N ATOM 1239 CA ARG A 85 9.633 9.361 0.579 1.00 0.00 C ATOM 1240 C ARG A 85 8.869 9.699 -0.704 1.00 0.00 C ATOM 1241 O ARG A 85 9.474 9.897 -1.757 1.00 0.00 O ATOM 1242 CB ARG A 85 11.136 9.375 0.288 1.00 0.00 C ATOM 1243 CG ARG A 85 11.743 10.742 0.606 1.00 0.00 C ATOM 1244 CD ARG A 85 13.229 10.780 0.247 1.00 0.00 C ATOM 1245 NE ARG A 85 13.782 12.126 0.514 1.00 0.00 N ATOM 1246 CZ ARG A 85 13.735 13.143 -0.357 1.00 0.00 C ATOM 1247 NH1 ARG A 85 13.161 12.973 -1.557 1.00 0.00 N ATOM 1248 NH2 ARG A 85 14.262 14.331 -0.029 1.00 0.00 N ATOM 0 H ARG A 85 9.922 7.339 1.042 1.00 0.00 H new ATOM 0 HA ARG A 85 9.416 10.107 1.343 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.632 8.606 0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.309 9.131 -0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.212 11.517 0.053 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.616 10.963 1.666 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.771 10.034 0.828 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.364 10.525 -0.804 1.00 0.00 H new ATOM 0 HE ARG A 85 14.227 12.290 1.417 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.760 12.069 -1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.125 13.748 -2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.699 14.461 0.884 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.226 15.105 -0.692 1.00 0.00 H new ATOM 1262 N THR A 86 7.553 9.758 -0.572 1.00 0.00 N ATOM 1263 CA THR A 86 6.699 10.071 -1.706 1.00 0.00 C ATOM 1264 C THR A 86 6.586 11.585 -1.887 1.00 0.00 C ATOM 1265 O THR A 86 6.875 12.111 -2.959 1.00 0.00 O ATOM 1266 CB THR A 86 5.352 9.381 -1.487 1.00 0.00 C ATOM 1267 OG1 THR A 86 5.334 8.340 -2.461 1.00 0.00 O ATOM 1268 CG2 THR A 86 4.169 10.272 -1.873 1.00 0.00 C ATOM 0 H THR A 86 7.056 9.594 0.303 1.00 0.00 H new ATOM 0 HA THR A 86 7.124 9.696 -2.637 1.00 0.00 H new ATOM 0 HB THR A 86 5.260 9.087 -0.441 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.679 8.555 -3.158 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.237 9.735 -1.698 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.184 11.179 -1.268 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.243 10.538 -2.928 1.00 0.00 H new ATOM 1276 N SER A 87 6.163 12.245 -0.819 1.00 0.00 N ATOM 1277 CA SER A 87 6.006 13.690 -0.844 1.00 0.00 C ATOM 1278 C SER A 87 5.616 14.149 -2.251 1.00 0.00 C ATOM 1279 O SER A 87 6.265 15.022 -2.826 1.00 0.00 O ATOM 1280 CB SER A 87 7.290 14.391 -0.395 1.00 0.00 C ATOM 1281 OG SER A 87 7.268 14.703 0.995 1.00 0.00 O ATOM 0 H SER A 87 5.924 11.806 0.070 1.00 0.00 H new ATOM 0 HA SER A 87 5.213 13.960 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.146 13.752 -0.610 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.424 15.307 -0.970 1.00 0.00 H new ATOM 0 HG SER A 87 8.105 15.148 1.244 1.00 0.00 H new ATOM 1287 N SER A 88 4.557 13.541 -2.764 1.00 0.00 N ATOM 1288 CA SER A 88 4.073 13.874 -4.092 1.00 0.00 C ATOM 1289 C SER A 88 2.958 12.910 -4.502 1.00 0.00 C ATOM 1290 O SER A 88 1.816 13.322 -4.699 1.00 0.00 O ATOM 1291 CB SER A 88 5.208 13.841 -5.117 1.00 0.00 C ATOM 1292 OG SER A 88 5.691 15.146 -5.424 1.00 0.00 O ATOM 0 H SER A 88 4.020 12.819 -2.283 1.00 0.00 H new ATOM 0 HA SER A 88 3.674 14.888 -4.065 1.00 0.00 H new ATOM 0 HB2 SER A 88 6.027 13.233 -4.731 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.857 13.361 -6.030 1.00 0.00 H new ATOM 0 HG SER A 88 6.060 15.557 -4.614 1.00 0.00 H new ATOM 1298 N VAL A 89 3.328 11.643 -4.617 1.00 0.00 N ATOM 1299 CA VAL A 89 2.375 10.615 -4.999 1.00 0.00 C ATOM 1300 C VAL A 89 2.886 9.251 -4.532 1.00 0.00 C ATOM 1301 O VAL A 89 4.094 9.041 -4.426 1.00 0.00 O ATOM 1302 CB VAL A 89 2.120 10.674 -6.507 1.00 0.00 C ATOM 1303 CG1 VAL A 89 3.105 9.783 -7.265 1.00 0.00 C ATOM 1304 CG2 VAL A 89 0.673 10.292 -6.832 1.00 0.00 C ATOM 0 H VAL A 89 4.276 11.305 -4.452 1.00 0.00 H new ATOM 0 HA VAL A 89 1.414 10.785 -4.513 1.00 0.00 H new ATOM 0 HB VAL A 89 2.278 11.702 -6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.902 9.843 -8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.124 10.118 -7.070 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.993 8.751 -6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.517 10.342 -7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.477 9.278 -6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.006 10.984 -6.335 1.00 0.00 H new ATOM 1314 N VAL A 90 1.943 8.362 -4.266 1.00 0.00 N ATOM 1315 CA VAL A 90 2.281 7.023 -3.811 1.00 0.00 C ATOM 1316 C VAL A 90 1.531 5.996 -4.661 1.00 0.00 C ATOM 1317 O VAL A 90 0.388 6.226 -5.055 1.00 0.00 O ATOM 1318 CB VAL A 90 1.991 6.889 -2.315 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.283 6.970 -1.497 1.00 0.00 C ATOM 1320 CG2 VAL A 90 0.984 7.944 -1.855 1.00 0.00 C ATOM 0 H VAL A 90 0.943 8.541 -4.356 1.00 0.00 H new ATOM 0 HA VAL A 90 3.347 6.834 -3.939 1.00 0.00 H new ATOM 0 HB VAL A 90 1.548 5.908 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.049 6.872 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.954 6.165 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.766 7.931 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.796 7.826 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.387 8.939 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.051 7.820 -2.404 1.00 0.00 H new ATOM 1330 N THR A 91 2.206 4.884 -4.919 1.00 0.00 N ATOM 1331 CA THR A 91 1.615 3.821 -5.713 1.00 0.00 C ATOM 1332 C THR A 91 2.192 2.465 -5.302 1.00 0.00 C ATOM 1333 O THR A 91 3.409 2.298 -5.230 1.00 0.00 O ATOM 1334 CB THR A 91 1.841 4.153 -7.190 1.00 0.00 C ATOM 1335 OG1 THR A 91 3.244 4.389 -7.283 1.00 0.00 O ATOM 1336 CG2 THR A 91 1.211 5.488 -7.593 1.00 0.00 C ATOM 0 H THR A 91 3.154 4.697 -4.593 1.00 0.00 H new ATOM 0 HA THR A 91 0.541 3.749 -5.540 1.00 0.00 H new ATOM 0 HB THR A 91 1.429 3.356 -7.808 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.478 4.610 -8.209 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.401 5.675 -8.650 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.136 5.450 -7.418 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.647 6.290 -6.998 1.00 0.00 H new ATOM 1344 N LEU A 92 1.291 1.528 -5.042 1.00 0.00 N ATOM 1345 CA LEU A 92 1.696 0.191 -4.640 1.00 0.00 C ATOM 1346 C LEU A 92 0.584 -0.799 -4.990 1.00 0.00 C ATOM 1347 O LEU A 92 -0.591 -0.434 -5.027 1.00 0.00 O ATOM 1348 CB LEU A 92 2.092 0.174 -3.162 1.00 0.00 C ATOM 1349 CG LEU A 92 1.120 0.857 -2.198 1.00 0.00 C ATOM 1350 CD1 LEU A 92 1.518 0.601 -0.743 1.00 0.00 C ATOM 1351 CD2 LEU A 92 1.001 2.351 -2.504 1.00 0.00 C ATOM 0 H LEU A 92 0.282 1.668 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 92 2.585 -0.120 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.212 -0.864 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.067 0.651 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 92 0.133 0.419 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.810 1.098 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.509 -0.471 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.519 0.994 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.304 2.811 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.979 2.822 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.635 2.486 -3.522 1.00 0.00 H new ATOM 1363 N GLU A 93 0.992 -2.034 -5.237 1.00 0.00 N ATOM 1364 CA GLU A 93 0.045 -3.082 -5.582 1.00 0.00 C ATOM 1365 C GLU A 93 -0.506 -3.738 -4.314 1.00 0.00 C ATOM 1366 O GLU A 93 0.251 -4.287 -3.516 1.00 0.00 O ATOM 1367 CB GLU A 93 0.687 -4.121 -6.502 1.00 0.00 C ATOM 1368 CG GLU A 93 -0.374 -5.022 -7.137 1.00 0.00 C ATOM 1369 CD GLU A 93 -0.144 -5.159 -8.644 1.00 0.00 C ATOM 1370 OE1 GLU A 93 -0.498 -4.197 -9.362 1.00 0.00 O ATOM 1371 OE2 GLU A 93 0.376 -6.221 -9.044 1.00 0.00 O ATOM 0 H GLU A 93 1.966 -2.334 -5.205 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.785 -2.630 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.256 -3.618 -7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.392 -4.728 -5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.347 -6.007 -6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.366 -4.609 -6.953 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.822 -3.659 -4.171 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.483 -4.239 -3.012 1.00 0.00 C ATOM 1380 C VAL A 94 -3.387 -5.385 -3.469 1.00 0.00 C ATOM 1381 O VAL A 94 -3.589 -5.583 -4.668 1.00 0.00 O ATOM 1382 CB VAL A 94 -3.237 -3.152 -2.242 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -2.339 -1.939 -1.988 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -4.515 -2.746 -2.979 1.00 0.00 C ATOM 0 H VAL A 94 -2.447 -3.204 -4.836 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.750 -4.658 -2.322 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.525 -3.563 -1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.898 -1.181 -1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.472 -2.245 -1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.007 -1.526 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.032 -1.973 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.259 -2.362 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.165 -3.614 -3.085 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.908 -6.110 -2.491 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.786 -7.232 -2.777 1.00 0.00 C ATOM 1396 C ALA A 95 -5.869 -7.315 -1.699 1.00 0.00 C ATOM 1397 O ALA A 95 -5.583 -7.657 -0.552 1.00 0.00 O ATOM 1398 CB ALA A 95 -3.960 -8.517 -2.872 1.00 0.00 C ATOM 0 H ALA A 95 -3.739 -5.943 -1.499 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.285 -7.093 -3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.619 -9.358 -3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.225 -8.419 -3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.447 -8.690 -1.926 1.00 0.00 H new