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 75 SER OG : rot -79:sc= 0.423 USER MOD Set 1.2: A 76 GLN : amide:sc= -5.71! C(o=-5.3!,f=-20!) USER MOD Single : A 14 THR OG1 : rot 17:sc= 0.711! USER MOD Single : A 16 THR OG1 : rot 180:sc= -4.07! 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 K(o=0,f=-0.78) USER MOD Single : A 21 ASN : amide:sc= -3.36! C(o=-3.4!,f=-4.9!) USER MOD Single : A 23 MET CE :methyl 143:sc= -3.36 (180deg=-8.02!) 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= -1.03 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -2.46! C(o=-2.5!,f=-7.2!) USER MOD Single : A 65 SER OG : rot 170:sc= -1.47 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -141:sc= -3.58! (180deg=-8.66!) USER MOD Single : A 84 THR OG1 : rot 80:sc= -0.963! USER MOD Single : A 86 THR OG1 : rot -57:sc= -5.07! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 42:sc= 1.03 USER MOD Single : A 91 THR OG1 : rot 127:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 153 N GLU A 11 -5.578 -4.853 -6.537 1.00 0.00 N ATOM 154 CA GLU A 11 -4.668 -4.818 -7.670 1.00 0.00 C ATOM 155 C GLU A 11 -3.716 -3.626 -7.548 1.00 0.00 C ATOM 156 O GLU A 11 -3.491 -3.115 -6.452 1.00 0.00 O ATOM 157 CB GLU A 11 -5.437 -4.772 -8.992 1.00 0.00 C ATOM 158 CG GLU A 11 -4.886 -5.799 -9.982 1.00 0.00 C ATOM 159 CD GLU A 11 -5.866 -6.032 -11.134 1.00 0.00 C ATOM 160 OE1 GLU A 11 -7.007 -6.441 -10.834 1.00 0.00 O ATOM 161 OE2 GLU A 11 -5.450 -5.794 -12.289 1.00 0.00 O ATOM 0 HA GLU A 11 -4.077 -5.734 -7.664 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.494 -4.968 -8.809 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.368 -3.773 -9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.931 -5.452 -10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.695 -6.740 -9.466 1.00 0.00 H new ATOM 168 N ILE A 12 -3.183 -3.215 -8.690 1.00 0.00 N ATOM 169 CA ILE A 12 -2.262 -2.092 -8.726 1.00 0.00 C ATOM 170 C ILE A 12 -3.047 -0.789 -8.573 1.00 0.00 C ATOM 171 O ILE A 12 -3.858 -0.444 -9.431 1.00 0.00 O ATOM 172 CB ILE A 12 -1.400 -2.147 -9.989 1.00 0.00 C ATOM 173 CG1 ILE A 12 -0.330 -1.054 -9.970 1.00 0.00 C ATOM 174 CG2 ILE A 12 -2.266 -2.079 -11.248 1.00 0.00 C ATOM 175 CD1 ILE A 12 0.882 -1.455 -10.812 1.00 0.00 C ATOM 0 H ILE A 12 -3.372 -3.640 -9.598 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.565 -2.144 -7.890 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.881 -3.106 -10.007 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.750 -0.123 -10.352 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.017 -0.865 -8.943 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.628 -2.120 -12.131 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.957 -2.922 -11.260 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.831 -1.147 -11.251 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.626 -0.659 -10.780 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.314 -2.373 -10.413 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.570 -1.619 -11.843 1.00 0.00 H new ATOM 187 N ILE A 13 -2.777 -0.100 -7.474 1.00 0.00 N ATOM 188 CA ILE A 13 -3.450 1.159 -7.197 1.00 0.00 C ATOM 189 C ILE A 13 -2.402 2.254 -6.976 1.00 0.00 C ATOM 190 O ILE A 13 -1.308 1.980 -6.484 1.00 0.00 O ATOM 191 CB ILE A 13 -4.428 1.000 -6.032 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.958 -0.433 -5.954 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.561 2.025 -6.125 1.00 0.00 C ATOM 194 CD1 ILE A 13 -5.694 -0.818 -7.239 1.00 0.00 C ATOM 0 H ILE A 13 -2.102 -0.389 -6.765 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.056 1.463 -8.051 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.890 1.196 -5.104 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.130 -1.122 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.632 -0.529 -5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.243 1.891 -5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.144 3.032 -6.097 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.104 1.883 -7.059 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.060 -1.841 -7.156 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.536 -0.143 -7.392 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.011 -0.744 -8.085 1.00 0.00 H new ATOM 206 N THR A 14 -2.775 3.468 -7.351 1.00 0.00 N ATOM 207 CA THR A 14 -1.881 4.604 -7.199 1.00 0.00 C ATOM 208 C THR A 14 -2.515 5.664 -6.296 1.00 0.00 C ATOM 209 O THR A 14 -3.614 6.142 -6.571 1.00 0.00 O ATOM 210 CB THR A 14 -1.535 5.123 -8.595 1.00 0.00 C ATOM 211 OG1 THR A 14 -2.764 5.659 -9.080 1.00 0.00 O ATOM 212 CG2 THR A 14 -1.208 3.995 -9.577 1.00 0.00 C ATOM 0 H THR A 14 -3.683 3.690 -7.759 1.00 0.00 H new ATOM 0 HA THR A 14 -0.953 4.314 -6.705 1.00 0.00 H new ATOM 0 HB THR A 14 -0.686 5.803 -8.528 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.382 5.790 -8.331 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.970 4.419 -10.552 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.352 3.429 -9.209 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.069 3.333 -9.670 1.00 0.00 H new ATOM 220 N VAL A 15 -1.794 6.000 -5.236 1.00 0.00 N ATOM 221 CA VAL A 15 -2.272 6.997 -4.291 1.00 0.00 C ATOM 222 C VAL A 15 -1.415 8.258 -4.408 1.00 0.00 C ATOM 223 O VAL A 15 -0.187 8.184 -4.370 1.00 0.00 O ATOM 224 CB VAL A 15 -2.286 6.410 -2.879 1.00 0.00 C ATOM 225 CG1 VAL A 15 -3.602 6.727 -2.166 1.00 0.00 C ATOM 226 CG2 VAL A 15 -2.024 4.904 -2.905 1.00 0.00 C ATOM 0 H VAL A 15 -0.883 5.600 -5.010 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.299 7.282 -4.521 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.479 6.878 -2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.585 6.298 -1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.727 7.808 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.433 6.302 -2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.040 4.514 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.797 4.410 -3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.048 4.712 -3.352 1.00 0.00 H new ATOM 236 N THR A 16 -2.095 9.386 -4.550 1.00 0.00 N ATOM 237 CA THR A 16 -1.411 10.663 -4.671 1.00 0.00 C ATOM 238 C THR A 16 -1.843 11.608 -3.551 1.00 0.00 C ATOM 239 O THR A 16 -3.037 11.779 -3.302 1.00 0.00 O ATOM 240 CB THR A 16 -1.686 11.213 -6.072 1.00 0.00 C ATOM 241 OG1 THR A 16 -1.381 10.124 -6.939 1.00 0.00 O ATOM 242 CG2 THR A 16 -0.691 12.302 -6.479 1.00 0.00 C ATOM 0 H THR A 16 -3.113 9.443 -4.584 1.00 0.00 H new ATOM 0 HA THR A 16 -0.333 10.548 -4.556 1.00 0.00 H new ATOM 0 HB THR A 16 -2.699 11.613 -6.112 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.534 10.393 -7.869 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.931 12.658 -7.481 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.752 13.132 -5.775 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.319 11.893 -6.472 1.00 0.00 H new ATOM 250 N LEU A 17 -0.849 12.202 -2.904 1.00 0.00 N ATOM 251 CA LEU A 17 -1.113 13.128 -1.814 1.00 0.00 C ATOM 252 C LEU A 17 -2.092 14.202 -2.290 1.00 0.00 C ATOM 253 O LEU A 17 -1.755 15.020 -3.145 1.00 0.00 O ATOM 254 CB LEU A 17 0.198 13.690 -1.262 1.00 0.00 C ATOM 255 CG LEU A 17 1.021 12.740 -0.388 1.00 0.00 C ATOM 256 CD1 LEU A 17 1.644 13.486 0.793 1.00 0.00 C ATOM 257 CD2 LEU A 17 0.179 11.547 0.065 1.00 0.00 C ATOM 0 H LEU A 17 0.139 12.060 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.588 12.612 -0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.817 14.007 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.029 14.583 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 17 1.841 12.345 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.224 12.789 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.298 14.275 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.855 13.927 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.787 10.887 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.675 11.902 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.176 11.000 -0.808 1.00 0.00 H new ATOM 269 N LYS A 18 -3.286 14.165 -1.715 1.00 0.00 N ATOM 270 CA LYS A 18 -4.317 15.126 -2.069 1.00 0.00 C ATOM 271 C LYS A 18 -4.318 16.264 -1.048 1.00 0.00 C ATOM 272 O LYS A 18 -4.342 17.437 -1.420 1.00 0.00 O ATOM 273 CB LYS A 18 -5.671 14.429 -2.217 1.00 0.00 C ATOM 274 CG LYS A 18 -6.761 15.427 -2.612 1.00 0.00 C ATOM 275 CD LYS A 18 -7.202 15.210 -4.061 1.00 0.00 C ATOM 276 CE LYS A 18 -7.382 16.547 -4.785 1.00 0.00 C ATOM 277 NZ LYS A 18 -8.683 17.156 -4.433 1.00 0.00 N ATOM 0 H LYS A 18 -3.562 13.485 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.107 15.571 -3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.600 13.645 -2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.939 13.945 -1.278 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.618 15.318 -1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.390 16.444 -2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.461 14.606 -4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.139 14.653 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.572 17.225 -4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.325 16.394 -5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.789 18.062 -4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.453 16.515 -4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.723 17.320 -3.407 1.00 0.00 H new ATOM 291 N LYS A 19 -4.295 15.879 0.220 1.00 0.00 N ATOM 292 CA LYS A 19 -4.292 16.854 1.298 1.00 0.00 C ATOM 293 C LYS A 19 -2.850 17.132 1.726 1.00 0.00 C ATOM 294 O LYS A 19 -2.608 17.970 2.594 1.00 0.00 O ATOM 295 CB LYS A 19 -5.195 16.387 2.442 1.00 0.00 C ATOM 296 CG LYS A 19 -5.224 17.419 3.572 1.00 0.00 C ATOM 297 CD LYS A 19 -6.469 17.242 4.443 1.00 0.00 C ATOM 298 CE LYS A 19 -7.335 18.504 4.425 1.00 0.00 C ATOM 299 NZ LYS A 19 -8.573 18.295 5.207 1.00 0.00 N ATOM 0 H LYS A 19 -4.278 14.906 0.525 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.710 17.801 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.206 16.222 2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.837 15.432 2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.329 17.317 4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.210 18.425 3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.050 16.393 4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.172 17.015 5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.774 19.343 4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.587 18.764 3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.148 19.161 5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.115 17.508 4.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.327 18.069 6.192 1.00 0.00 H new ATOM 313 N GLN A 20 -1.930 16.412 1.100 1.00 0.00 N ATOM 314 CA GLN A 20 -0.520 16.572 1.405 1.00 0.00 C ATOM 315 C GLN A 20 -0.284 16.426 2.910 1.00 0.00 C ATOM 316 O GLN A 20 0.524 17.152 3.487 1.00 0.00 O ATOM 317 CB GLN A 20 0.005 17.915 0.894 1.00 0.00 C ATOM 318 CG GLN A 20 0.510 17.795 -0.545 1.00 0.00 C ATOM 319 CD GLN A 20 1.052 19.135 -1.048 1.00 0.00 C ATOM 320 OE1 GLN A 20 1.289 20.062 -0.292 1.00 0.00 O ATOM 321 NE2 GLN A 20 1.232 19.184 -2.364 1.00 0.00 N ATOM 0 H GLN A 20 -2.135 15.716 0.383 1.00 0.00 H new ATOM 0 HA GLN A 20 0.034 15.786 0.892 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.787 18.662 0.944 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.812 18.263 1.539 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.293 17.039 -0.598 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.301 17.460 -1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.013 18.371 -2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.589 20.035 -2.799 1.00 0.00 H new ATOM 330 N ASN A 21 -1.003 15.483 3.502 1.00 0.00 N ATOM 331 CA ASN A 21 -0.881 15.234 4.928 1.00 0.00 C ATOM 332 C ASN A 21 0.164 14.141 5.162 1.00 0.00 C ATOM 333 O ASN A 21 -0.090 13.180 5.887 1.00 0.00 O ATOM 334 CB ASN A 21 -2.209 14.755 5.517 1.00 0.00 C ATOM 335 CG ASN A 21 -2.166 14.774 7.048 1.00 0.00 C ATOM 336 OD1 ASN A 21 -1.116 14.806 7.665 1.00 0.00 O ATOM 337 ND2 ASN A 21 -3.367 14.754 7.621 1.00 0.00 N ATOM 0 H ASN A 21 -1.672 14.883 3.020 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.588 16.166 5.411 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.019 15.393 5.164 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.423 13.745 5.168 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.447 14.765 8.638 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.207 14.727 7.043 1.00 0.00 H new ATOM 344 N GLY A 22 1.316 14.324 4.534 1.00 0.00 N ATOM 345 CA GLY A 22 2.400 13.364 4.667 1.00 0.00 C ATOM 346 C GLY A 22 2.046 12.040 3.986 1.00 0.00 C ATOM 347 O GLY A 22 2.743 11.602 3.073 1.00 0.00 O ATOM 0 H GLY A 22 1.523 15.121 3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.309 13.773 4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.609 13.190 5.723 1.00 0.00 H new ATOM 351 N MET A 23 0.964 11.439 4.460 1.00 0.00 N ATOM 352 CA MET A 23 0.510 10.174 3.910 1.00 0.00 C ATOM 353 C MET A 23 -0.543 9.529 4.814 1.00 0.00 C ATOM 354 O MET A 23 -1.724 9.494 4.472 1.00 0.00 O ATOM 355 CB MET A 23 1.701 9.226 3.756 1.00 0.00 C ATOM 356 CG MET A 23 1.876 8.799 2.297 1.00 0.00 C ATOM 357 SD MET A 23 3.461 9.348 1.685 1.00 0.00 S ATOM 358 CE MET A 23 4.372 7.815 1.768 1.00 0.00 C ATOM 0 H MET A 23 0.389 11.805 5.219 1.00 0.00 H new ATOM 0 HA MET A 23 0.058 10.364 2.936 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.609 9.717 4.107 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.553 8.346 4.381 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.801 7.715 2.216 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.076 9.220 1.688 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.048 7.747 0.916 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.949 7.784 2.692 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.676 6.976 1.747 1.00 0.00 H new ATOM 368 N GLY A 24 -0.075 9.032 5.951 1.00 0.00 N ATOM 369 CA GLY A 24 -0.961 8.390 6.907 1.00 0.00 C ATOM 370 C GLY A 24 -1.422 7.024 6.396 1.00 0.00 C ATOM 371 O GLY A 24 -2.565 6.873 5.968 1.00 0.00 O ATOM 0 H GLY A 24 0.905 9.061 6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.447 8.271 7.861 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.828 9.026 7.089 1.00 0.00 H new ATOM 375 N LEU A 25 -0.508 6.066 6.455 1.00 0.00 N ATOM 376 CA LEU A 25 -0.807 4.718 6.004 1.00 0.00 C ATOM 377 C LEU A 25 -0.175 3.710 6.965 1.00 0.00 C ATOM 378 O LEU A 25 0.672 4.072 7.781 1.00 0.00 O ATOM 379 CB LEU A 25 -0.377 4.533 4.549 1.00 0.00 C ATOM 380 CG LEU A 25 -1.448 4.808 3.491 1.00 0.00 C ATOM 381 CD1 LEU A 25 -1.128 4.082 2.184 1.00 0.00 C ATOM 382 CD2 LEU A 25 -2.840 4.455 4.018 1.00 0.00 C ATOM 0 H LEU A 25 0.440 6.197 6.808 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.882 4.541 6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.472 5.188 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.025 3.509 4.423 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.447 5.876 3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.905 4.295 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.166 4.425 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.085 3.008 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.583 4.659 3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.872 3.398 4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.058 5.056 4.901 1.00 0.00 H new ATOM 394 N SER A 26 -0.609 2.465 6.840 1.00 0.00 N ATOM 395 CA SER A 26 -0.095 1.403 7.687 1.00 0.00 C ATOM 396 C SER A 26 -0.067 0.083 6.913 1.00 0.00 C ATOM 397 O SER A 26 -1.113 -0.440 6.531 1.00 0.00 O ATOM 398 CB SER A 26 -0.936 1.256 8.956 1.00 0.00 C ATOM 399 OG SER A 26 -0.188 0.694 10.030 1.00 0.00 O ATOM 0 H SER A 26 -1.312 2.168 6.164 1.00 0.00 H new ATOM 0 HA SER A 26 0.921 1.664 7.984 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.318 2.233 9.253 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.800 0.625 8.747 1.00 0.00 H new ATOM 0 HG SER A 26 -0.760 0.618 10.822 1.00 0.00 H new ATOM 405 N ILE A 27 1.142 -0.417 6.704 1.00 0.00 N ATOM 406 CA ILE A 27 1.320 -1.666 5.982 1.00 0.00 C ATOM 407 C ILE A 27 2.298 -2.558 6.749 1.00 0.00 C ATOM 408 O ILE A 27 2.905 -2.122 7.727 1.00 0.00 O ATOM 409 CB ILE A 27 1.738 -1.394 4.536 1.00 0.00 C ATOM 410 CG1 ILE A 27 3.260 -1.465 4.383 1.00 0.00 C ATOM 411 CG2 ILE A 27 1.175 -0.059 4.044 1.00 0.00 C ATOM 412 CD1 ILE A 27 3.656 -1.670 2.920 1.00 0.00 C ATOM 0 H ILE A 27 2.007 0.020 7.022 1.00 0.00 H new ATOM 0 HA ILE A 27 0.376 -2.208 5.919 1.00 0.00 H new ATOM 0 HB ILE A 27 1.313 -2.175 3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.710 -0.546 4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.652 -2.283 4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.487 0.110 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.086 -0.083 4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.550 0.748 4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.742 -1.717 2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.225 -2.602 2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.284 -0.838 2.322 1.00 0.00 H new ATOM 424 N VAL A 28 2.422 -3.789 6.276 1.00 0.00 N ATOM 425 CA VAL A 28 3.317 -4.745 6.905 1.00 0.00 C ATOM 426 C VAL A 28 3.829 -5.729 5.850 1.00 0.00 C ATOM 427 O VAL A 28 3.086 -6.125 4.953 1.00 0.00 O ATOM 428 CB VAL A 28 2.608 -5.437 8.071 1.00 0.00 C ATOM 429 CG1 VAL A 28 3.525 -6.466 8.738 1.00 0.00 C ATOM 430 CG2 VAL A 28 2.101 -4.413 9.089 1.00 0.00 C ATOM 0 H VAL A 28 1.918 -4.146 5.465 1.00 0.00 H new ATOM 0 HA VAL A 28 4.185 -4.236 7.324 1.00 0.00 H new ATOM 0 HB VAL A 28 1.744 -5.968 7.671 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.997 -6.943 9.563 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.816 -7.222 8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.416 -5.967 9.118 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.601 -4.931 9.908 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.943 -3.842 9.481 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.398 -3.736 8.604 1.00 0.00 H new ATOM 440 N ALA A 29 5.096 -6.093 5.992 1.00 0.00 N ATOM 441 CA ALA A 29 5.716 -7.020 5.061 1.00 0.00 C ATOM 442 C ALA A 29 6.394 -8.145 5.845 1.00 0.00 C ATOM 443 O ALA A 29 7.214 -7.886 6.725 1.00 0.00 O ATOM 444 CB ALA A 29 6.696 -6.265 4.162 1.00 0.00 C ATOM 0 H ALA A 29 5.709 -5.763 6.737 1.00 0.00 H new ATOM 0 HA ALA A 29 4.965 -7.473 4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.160 -6.962 3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.160 -5.496 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.467 -5.798 4.775 1.00 0.00 H new ATOM 450 N ALA A 30 6.026 -9.371 5.501 1.00 0.00 N ATOM 451 CA ALA A 30 6.588 -10.535 6.162 1.00 0.00 C ATOM 452 C ALA A 30 7.745 -11.084 5.324 1.00 0.00 C ATOM 453 O ALA A 30 7.632 -11.198 4.103 1.00 0.00 O ATOM 454 CB ALA A 30 5.488 -11.575 6.388 1.00 0.00 C ATOM 0 H ALA A 30 5.345 -9.583 4.772 1.00 0.00 H new ATOM 0 HA ALA A 30 6.988 -10.265 7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.910 -12.449 6.884 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.704 -11.146 7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.065 -11.872 5.428 1.00 0.00 H new ATOM 576 N GLY A 39 5.231 -11.863 2.311 1.00 0.00 N ATOM 577 CA GLY A 39 4.196 -11.110 1.625 1.00 0.00 C ATOM 578 C GLY A 39 3.930 -9.775 2.326 1.00 0.00 C ATOM 579 O GLY A 39 4.202 -9.631 3.516 1.00 0.00 O ATOM 0 HA2 GLY A 39 4.497 -10.929 0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.278 -11.696 1.591 1.00 0.00 H new ATOM 583 N ILE A 40 3.404 -8.835 1.555 1.00 0.00 N ATOM 584 CA ILE A 40 3.100 -7.517 2.088 1.00 0.00 C ATOM 585 C ILE A 40 1.587 -7.386 2.280 1.00 0.00 C ATOM 586 O ILE A 40 0.812 -8.086 1.629 1.00 0.00 O ATOM 587 CB ILE A 40 3.704 -6.427 1.200 1.00 0.00 C ATOM 588 CG1 ILE A 40 4.879 -6.973 0.385 1.00 0.00 C ATOM 589 CG2 ILE A 40 4.100 -5.202 2.027 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.386 -5.930 -0.612 1.00 0.00 C ATOM 0 H ILE A 40 3.181 -8.959 0.567 1.00 0.00 H new ATOM 0 HA ILE A 40 3.559 -7.387 3.068 1.00 0.00 H new ATOM 0 HB ILE A 40 2.942 -6.103 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.688 -7.263 1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.570 -7.871 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.526 -4.443 1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.218 -4.798 2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.838 -5.491 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.221 -6.343 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.582 -5.660 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.717 -5.042 -0.073 1.00 0.00 H new ATOM 602 N TYR A 41 1.211 -6.485 3.175 1.00 0.00 N ATOM 603 CA TYR A 41 -0.193 -6.253 3.459 1.00 0.00 C ATOM 604 C TYR A 41 -0.419 -4.838 3.995 1.00 0.00 C ATOM 605 O TYR A 41 0.532 -4.151 4.364 1.00 0.00 O ATOM 606 CB TYR A 41 -0.576 -7.263 4.543 1.00 0.00 C ATOM 607 CG TYR A 41 -0.240 -8.713 4.190 1.00 0.00 C ATOM 608 CD1 TYR A 41 -0.990 -9.385 3.245 1.00 0.00 C ATOM 609 CD2 TYR A 41 0.812 -9.350 4.816 1.00 0.00 C ATOM 610 CE1 TYR A 41 -0.673 -10.750 2.912 1.00 0.00 C ATOM 611 CE2 TYR A 41 1.129 -10.715 4.483 1.00 0.00 C ATOM 612 CZ TYR A 41 0.371 -11.347 3.547 1.00 0.00 C ATOM 613 OH TYR A 41 0.669 -12.636 3.232 1.00 0.00 O ATOM 0 H TYR A 41 1.856 -5.907 3.713 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.790 -6.363 2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.066 -6.998 5.469 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.646 -7.185 4.736 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.814 -8.887 2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.398 -8.825 5.556 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.251 -11.287 2.175 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.950 -11.225 4.965 1.00 0.00 H new ATOM 0 HH TYR A 41 1.438 -12.933 3.762 1.00 0.00 H new ATOM 623 N VAL A 42 -1.684 -4.443 4.022 1.00 0.00 N ATOM 624 CA VAL A 42 -2.046 -3.122 4.506 1.00 0.00 C ATOM 625 C VAL A 42 -2.773 -3.256 5.846 1.00 0.00 C ATOM 626 O VAL A 42 -3.810 -3.910 5.930 1.00 0.00 O ATOM 627 CB VAL A 42 -2.872 -2.386 3.449 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.593 -1.182 4.058 1.00 0.00 C ATOM 629 CG2 VAL A 42 -1.997 -1.962 2.268 1.00 0.00 C ATOM 0 H VAL A 42 -2.471 -5.015 3.716 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.153 -2.521 4.679 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.629 -3.075 3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.173 -0.676 3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.261 -1.520 4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.860 -0.490 4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.608 -1.441 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.208 -1.298 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.551 -2.845 1.810 1.00 0.00 H new ATOM 639 N LYS A 43 -2.199 -2.626 6.859 1.00 0.00 N ATOM 640 CA LYS A 43 -2.779 -2.668 8.191 1.00 0.00 C ATOM 641 C LYS A 43 -3.997 -1.745 8.241 1.00 0.00 C ATOM 642 O LYS A 43 -5.047 -2.123 8.759 1.00 0.00 O ATOM 643 CB LYS A 43 -1.719 -2.344 9.248 1.00 0.00 C ATOM 644 CG LYS A 43 -2.351 -2.210 10.634 1.00 0.00 C ATOM 645 CD LYS A 43 -2.838 -3.566 11.150 1.00 0.00 C ATOM 646 CE LYS A 43 -1.937 -4.080 12.275 1.00 0.00 C ATOM 647 NZ LYS A 43 -2.537 -5.272 12.914 1.00 0.00 N ATOM 0 H LYS A 43 -1.338 -2.083 6.785 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.130 -3.674 8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.963 -3.129 9.263 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.210 -1.417 8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.624 -1.792 11.330 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.187 -1.512 10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.862 -3.475 11.512 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.852 -4.287 10.332 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.954 -4.330 11.876 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.790 -3.296 13.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.914 -5.609 13.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.465 -5.023 13.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.655 -6.024 12.205 1.00 0.00 H new ATOM 661 N SER A 44 -3.818 -0.551 7.692 1.00 0.00 N ATOM 662 CA SER A 44 -4.891 0.429 7.668 1.00 0.00 C ATOM 663 C SER A 44 -4.312 1.835 7.494 1.00 0.00 C ATOM 664 O SER A 44 -3.095 2.016 7.517 1.00 0.00 O ATOM 665 CB SER A 44 -5.734 0.357 8.942 1.00 0.00 C ATOM 666 OG SER A 44 -4.942 0.064 10.089 1.00 0.00 O ATOM 0 H SER A 44 -2.947 -0.241 7.261 1.00 0.00 H new ATOM 0 HA SER A 44 -5.541 0.202 6.823 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.249 1.306 9.090 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.502 -0.408 8.826 1.00 0.00 H new ATOM 0 HG SER A 44 -5.516 0.028 10.882 1.00 0.00 H new ATOM 672 N VAL A 45 -5.209 2.794 7.322 1.00 0.00 N ATOM 673 CA VAL A 45 -4.802 4.178 7.145 1.00 0.00 C ATOM 674 C VAL A 45 -4.713 4.857 8.512 1.00 0.00 C ATOM 675 O VAL A 45 -5.513 4.577 9.402 1.00 0.00 O ATOM 676 CB VAL A 45 -5.761 4.886 6.185 1.00 0.00 C ATOM 677 CG1 VAL A 45 -5.975 4.059 4.915 1.00 0.00 C ATOM 678 CG2 VAL A 45 -7.093 5.194 6.870 1.00 0.00 C ATOM 0 H VAL A 45 -6.217 2.640 7.301 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.812 4.231 6.692 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.307 5.833 5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.660 4.584 4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.020 3.913 4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.397 3.090 5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.756 5.697 6.166 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.555 4.264 7.203 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.919 5.841 7.730 1.00 0.00 H new ATOM 688 N VAL A 46 -3.734 5.741 8.636 1.00 0.00 N ATOM 689 CA VAL A 46 -3.531 6.464 9.879 1.00 0.00 C ATOM 690 C VAL A 46 -4.843 7.127 10.300 1.00 0.00 C ATOM 691 O VAL A 46 -5.047 7.418 11.477 1.00 0.00 O ATOM 692 CB VAL A 46 -2.380 7.461 9.723 1.00 0.00 C ATOM 693 CG1 VAL A 46 -2.533 8.633 10.696 1.00 0.00 C ATOM 694 CG2 VAL A 46 -1.028 6.772 9.904 1.00 0.00 C ATOM 0 H VAL A 46 -3.072 5.973 7.895 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.244 5.778 10.676 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.419 7.860 8.709 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.702 9.326 10.564 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.472 9.150 10.498 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.534 8.258 11.720 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.228 7.504 9.788 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.975 6.331 10.899 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.915 5.989 9.154 1.00 0.00 H new ATOM 704 N LYS A 47 -5.701 7.346 9.313 1.00 0.00 N ATOM 705 CA LYS A 47 -6.989 7.970 9.565 1.00 0.00 C ATOM 706 C LYS A 47 -6.799 9.479 9.717 1.00 0.00 C ATOM 707 O LYS A 47 -7.687 10.174 10.209 1.00 0.00 O ATOM 708 CB LYS A 47 -7.675 7.313 10.767 1.00 0.00 C ATOM 709 CG LYS A 47 -9.154 7.701 10.832 1.00 0.00 C ATOM 710 CD LYS A 47 -10.051 6.494 10.552 1.00 0.00 C ATOM 711 CE LYS A 47 -11.513 6.811 10.868 1.00 0.00 C ATOM 712 NZ LYS A 47 -12.038 5.877 11.887 1.00 0.00 N ATOM 0 H LYS A 47 -5.529 7.102 8.338 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.659 7.816 8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.582 6.229 10.696 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.175 7.616 11.687 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.384 8.108 11.817 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.359 8.487 10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.957 6.201 9.506 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.722 5.645 11.151 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.599 7.836 11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.111 6.740 9.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.032 6.107 12.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.974 4.902 11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.478 5.964 12.759 1.00 0.00 H new ATOM 726 N GLY A 48 -5.636 9.944 9.285 1.00 0.00 N ATOM 727 CA GLY A 48 -5.318 11.360 9.365 1.00 0.00 C ATOM 728 C GLY A 48 -4.208 11.729 8.380 1.00 0.00 C ATOM 729 O GLY A 48 -3.321 12.519 8.707 1.00 0.00 O ATOM 0 H GLY A 48 -4.902 9.365 8.878 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.210 11.949 9.151 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.007 11.610 10.379 1.00 0.00 H new ATOM 733 N GLY A 49 -4.289 11.141 7.197 1.00 0.00 N ATOM 734 CA GLY A 49 -3.302 11.398 6.163 1.00 0.00 C ATOM 735 C GLY A 49 -3.975 11.663 4.815 1.00 0.00 C ATOM 736 O GLY A 49 -5.191 11.531 4.687 1.00 0.00 O ATOM 0 H GLY A 49 -5.024 10.486 6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.692 12.256 6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.630 10.544 6.076 1.00 0.00 H new ATOM 740 N ALA A 50 -3.154 12.036 3.844 1.00 0.00 N ATOM 741 CA ALA A 50 -3.655 12.320 2.509 1.00 0.00 C ATOM 742 C ALA A 50 -4.219 11.038 1.896 1.00 0.00 C ATOM 743 O ALA A 50 -5.428 10.916 1.706 1.00 0.00 O ATOM 744 CB ALA A 50 -2.536 12.931 1.662 1.00 0.00 C ATOM 0 H ALA A 50 -2.146 12.148 3.955 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.465 13.048 2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.912 13.144 0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.193 13.856 2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.705 12.229 1.596 1.00 0.00 H new ATOM 750 N ALA A 51 -3.316 10.114 1.602 1.00 0.00 N ATOM 751 CA ALA A 51 -3.708 8.845 1.013 1.00 0.00 C ATOM 752 C ALA A 51 -4.714 8.148 1.934 1.00 0.00 C ATOM 753 O ALA A 51 -5.566 7.393 1.471 1.00 0.00 O ATOM 754 CB ALA A 51 -2.463 7.993 0.760 1.00 0.00 C ATOM 0 H ALA A 51 -2.314 10.219 1.761 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.196 9.003 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.757 7.041 0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.795 8.519 0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.948 7.811 1.704 1.00 0.00 H new ATOM 760 N ASP A 52 -4.580 8.430 3.222 1.00 0.00 N ATOM 761 CA ASP A 52 -5.466 7.840 4.212 1.00 0.00 C ATOM 762 C ASP A 52 -6.915 8.189 3.866 1.00 0.00 C ATOM 763 O ASP A 52 -7.758 7.302 3.748 1.00 0.00 O ATOM 764 CB ASP A 52 -5.170 8.386 5.610 1.00 0.00 C ATOM 765 CG ASP A 52 -6.404 8.731 6.444 1.00 0.00 C ATOM 766 OD1 ASP A 52 -7.275 7.844 6.566 1.00 0.00 O ATOM 767 OD2 ASP A 52 -6.451 9.878 6.942 1.00 0.00 O ATOM 0 H ASP A 52 -3.872 9.058 3.603 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.309 6.761 4.205 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.577 7.650 6.153 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.555 9.281 5.512 1.00 0.00 H new ATOM 772 N VAL A 53 -7.159 9.482 3.712 1.00 0.00 N ATOM 773 CA VAL A 53 -8.490 9.959 3.383 1.00 0.00 C ATOM 774 C VAL A 53 -8.726 9.798 1.879 1.00 0.00 C ATOM 775 O VAL A 53 -9.598 9.038 1.462 1.00 0.00 O ATOM 776 CB VAL A 53 -8.664 11.400 3.865 1.00 0.00 C ATOM 777 CG1 VAL A 53 -10.084 11.901 3.595 1.00 0.00 C ATOM 778 CG2 VAL A 53 -8.310 11.530 5.347 1.00 0.00 C ATOM 0 H VAL A 53 -6.456 10.214 3.809 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.247 9.366 3.897 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.974 12.027 3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.181 12.928 3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.285 11.864 2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.799 11.268 4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.443 12.565 5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.962 10.884 5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.272 11.234 5.501 1.00 0.00 H new ATOM 788 N ASP A 54 -7.933 10.528 1.107 1.00 0.00 N ATOM 789 CA ASP A 54 -8.046 10.475 -0.341 1.00 0.00 C ATOM 790 C ASP A 54 -8.047 9.015 -0.796 1.00 0.00 C ATOM 791 O ASP A 54 -9.015 8.547 -1.392 1.00 0.00 O ATOM 792 CB ASP A 54 -6.863 11.178 -1.009 1.00 0.00 C ATOM 793 CG ASP A 54 -7.142 11.716 -2.415 1.00 0.00 C ATOM 794 OD1 ASP A 54 -8.224 12.318 -2.588 1.00 0.00 O ATOM 795 OD2 ASP A 54 -6.266 11.514 -3.284 1.00 0.00 O ATOM 0 H ASP A 54 -7.211 11.158 1.456 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.972 10.974 -0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.547 12.006 -0.375 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.027 10.480 -1.062 1.00 0.00 H new ATOM 800 N GLY A 55 -6.949 8.333 -0.496 1.00 0.00 N ATOM 801 CA GLY A 55 -6.812 6.936 -0.867 1.00 0.00 C ATOM 802 C GLY A 55 -7.969 6.104 -0.307 1.00 0.00 C ATOM 803 O GLY A 55 -8.649 5.400 -1.054 1.00 0.00 O ATOM 0 H GLY A 55 -6.147 8.723 -0.000 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.786 6.845 -1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.865 6.548 -0.492 1.00 0.00 H new ATOM 807 N ARG A 56 -8.156 6.212 0.999 1.00 0.00 N ATOM 808 CA ARG A 56 -9.218 5.478 1.667 1.00 0.00 C ATOM 809 C ARG A 56 -9.089 3.982 1.381 1.00 0.00 C ATOM 810 O ARG A 56 -10.079 3.312 1.089 1.00 0.00 O ATOM 811 CB ARG A 56 -10.593 5.961 1.205 1.00 0.00 C ATOM 812 CG ARG A 56 -11.706 5.339 2.052 1.00 0.00 C ATOM 813 CD ARG A 56 -12.966 6.206 2.025 1.00 0.00 C ATOM 814 NE ARG A 56 -13.702 6.069 3.301 1.00 0.00 N ATOM 815 CZ ARG A 56 -14.761 6.816 3.643 1.00 0.00 C ATOM 816 NH1 ARG A 56 -15.214 7.757 2.804 1.00 0.00 N ATOM 817 NH2 ARG A 56 -15.366 6.620 4.822 1.00 0.00 N ATOM 0 H ARG A 56 -7.590 6.797 1.614 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.123 5.656 2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.643 7.048 1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.740 5.701 0.157 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.938 4.342 1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.363 5.222 3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.696 7.249 1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.605 5.908 1.193 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.383 5.361 3.963 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.753 7.904 1.906 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.020 8.326 3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.021 5.902 5.459 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.172 7.188 5.082 1.00 0.00 H new ATOM 831 N LEU A 57 -7.858 3.497 1.477 1.00 0.00 N ATOM 832 CA LEU A 57 -7.587 2.090 1.234 1.00 0.00 C ATOM 833 C LEU A 57 -8.171 1.257 2.377 1.00 0.00 C ATOM 834 O LEU A 57 -8.296 1.740 3.502 1.00 0.00 O ATOM 835 CB LEU A 57 -6.090 1.865 1.011 1.00 0.00 C ATOM 836 CG LEU A 57 -5.456 2.655 -0.135 1.00 0.00 C ATOM 837 CD1 LEU A 57 -3.966 2.890 0.119 1.00 0.00 C ATOM 838 CD2 LEU A 57 -5.707 1.968 -1.479 1.00 0.00 C ATOM 0 H LEU A 57 -7.038 4.054 1.720 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.076 1.760 0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.564 2.115 1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.926 0.803 0.828 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.933 3.634 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.540 3.454 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.839 3.453 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.456 1.931 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.246 2.550 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.274 0.968 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.780 1.896 -1.656 1.00 0.00 H new ATOM 850 N ALA A 58 -8.512 0.020 2.051 1.00 0.00 N ATOM 851 CA ALA A 58 -9.079 -0.885 3.036 1.00 0.00 C ATOM 852 C ALA A 58 -7.949 -1.524 3.845 1.00 0.00 C ATOM 853 O ALA A 58 -6.787 -1.470 3.445 1.00 0.00 O ATOM 854 CB ALA A 58 -9.952 -1.926 2.332 1.00 0.00 C ATOM 0 H ALA A 58 -8.407 -0.378 1.118 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.718 -0.342 3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.377 -2.605 3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.757 -1.423 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.345 -2.493 1.626 1.00 0.00 H new ATOM 860 N ALA A 59 -8.330 -2.115 4.968 1.00 0.00 N ATOM 861 CA ALA A 59 -7.364 -2.763 5.838 1.00 0.00 C ATOM 862 C ALA A 59 -7.344 -4.264 5.542 1.00 0.00 C ATOM 863 O ALA A 59 -8.366 -4.939 5.664 1.00 0.00 O ATOM 864 CB ALA A 59 -7.706 -2.462 7.299 1.00 0.00 C ATOM 0 H ALA A 59 -9.295 -2.159 5.295 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.362 -2.376 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.980 -2.949 7.950 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.677 -1.385 7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.704 -2.837 7.524 1.00 0.00 H new ATOM 870 N GLY A 60 -6.170 -4.745 5.157 1.00 0.00 N ATOM 871 CA GLY A 60 -6.005 -6.152 4.842 1.00 0.00 C ATOM 872 C GLY A 60 -5.666 -6.348 3.363 1.00 0.00 C ATOM 873 O GLY A 60 -5.836 -7.439 2.822 1.00 0.00 O ATOM 0 H GLY A 60 -5.324 -4.184 5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.213 -6.576 5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.921 -6.692 5.083 1.00 0.00 H new ATOM 877 N ASP A 61 -5.192 -5.273 2.751 1.00 0.00 N ATOM 878 CA ASP A 61 -4.828 -5.313 1.344 1.00 0.00 C ATOM 879 C ASP A 61 -3.419 -5.890 1.203 1.00 0.00 C ATOM 880 O ASP A 61 -2.456 -5.320 1.714 1.00 0.00 O ATOM 881 CB ASP A 61 -4.827 -3.909 0.737 1.00 0.00 C ATOM 882 CG ASP A 61 -5.768 -2.910 1.412 1.00 0.00 C ATOM 883 OD1 ASP A 61 -6.757 -3.381 2.016 1.00 0.00 O ATOM 884 OD2 ASP A 61 -5.480 -1.697 1.311 1.00 0.00 O ATOM 0 H ASP A 61 -5.051 -4.369 3.203 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.559 -5.931 0.823 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.812 -3.513 0.778 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.098 -3.985 -0.316 1.00 0.00 H new ATOM 889 N GLN A 62 -3.343 -7.014 0.507 1.00 0.00 N ATOM 890 CA GLN A 62 -2.067 -7.677 0.291 1.00 0.00 C ATOM 891 C GLN A 62 -1.240 -6.911 -0.743 1.00 0.00 C ATOM 892 O GLN A 62 -1.601 -6.860 -1.918 1.00 0.00 O ATOM 893 CB GLN A 62 -2.269 -9.131 -0.137 1.00 0.00 C ATOM 894 CG GLN A 62 -0.928 -9.816 -0.403 1.00 0.00 C ATOM 895 CD GLN A 62 -1.015 -10.736 -1.623 1.00 0.00 C ATOM 896 OE1 GLN A 62 -1.640 -10.428 -2.623 1.00 0.00 O ATOM 897 NE2 GLN A 62 -0.353 -11.883 -1.482 1.00 0.00 N ATOM 0 H GLN A 62 -4.144 -7.483 0.085 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.520 -7.684 1.233 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.809 -9.671 0.641 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.884 -9.167 -1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.157 -9.063 -0.565 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.631 -10.394 0.472 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.151 -12.078 -0.617 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.350 -12.566 -2.239 1.00 0.00 H new ATOM 906 N LEU A 63 -0.146 -6.332 -0.269 1.00 0.00 N ATOM 907 CA LEU A 63 0.735 -5.571 -1.139 1.00 0.00 C ATOM 908 C LEU A 63 1.864 -6.478 -1.633 1.00 0.00 C ATOM 909 O LEU A 63 2.206 -7.463 -0.980 1.00 0.00 O ATOM 910 CB LEU A 63 1.228 -4.309 -0.429 1.00 0.00 C ATOM 911 CG LEU A 63 2.223 -3.447 -1.208 1.00 0.00 C ATOM 912 CD1 LEU A 63 1.512 -2.293 -1.918 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.349 -2.952 -0.298 1.00 0.00 C ATOM 0 H LEU A 63 0.150 -6.375 0.706 1.00 0.00 H new ATOM 0 HA LEU A 63 0.195 -5.224 -2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.363 -3.695 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.692 -4.603 0.512 1.00 0.00 H new ATOM 0 HG LEU A 63 2.680 -4.067 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.243 -1.696 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.776 -2.693 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.010 -1.666 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.043 -2.342 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.927 -2.355 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.880 -3.806 0.121 1.00 0.00 H new ATOM 925 N LEU A 64 2.410 -6.114 -2.784 1.00 0.00 N ATOM 926 CA LEU A 64 3.493 -6.882 -3.373 1.00 0.00 C ATOM 927 C LEU A 64 4.444 -5.936 -4.109 1.00 0.00 C ATOM 928 O LEU A 64 5.652 -6.162 -4.140 1.00 0.00 O ATOM 929 CB LEU A 64 2.938 -8.002 -4.256 1.00 0.00 C ATOM 930 CG LEU A 64 1.606 -8.608 -3.809 1.00 0.00 C ATOM 931 CD1 LEU A 64 0.426 -7.801 -4.352 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.518 -10.086 -4.200 1.00 0.00 C ATOM 0 H LEU A 64 2.123 -5.298 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 64 4.074 -7.377 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.817 -7.615 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.679 -8.800 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 64 1.556 -8.558 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.508 -8.254 -4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.485 -6.777 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.459 -7.796 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.562 -10.493 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.600 -10.181 -5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.330 -10.637 -3.725 1.00 0.00 H new ATOM 944 N SER A 65 3.862 -4.892 -4.683 1.00 0.00 N ATOM 945 CA SER A 65 4.641 -3.909 -5.415 1.00 0.00 C ATOM 946 C SER A 65 4.610 -2.566 -4.686 1.00 0.00 C ATOM 947 O SER A 65 3.694 -2.300 -3.907 1.00 0.00 O ATOM 948 CB SER A 65 4.121 -3.749 -6.846 1.00 0.00 C ATOM 949 OG SER A 65 3.675 -2.421 -7.105 1.00 0.00 O ATOM 0 H SER A 65 2.859 -4.706 -4.655 1.00 0.00 H new ATOM 0 HA SER A 65 5.671 -4.261 -5.468 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.911 -4.010 -7.550 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.300 -4.447 -7.014 1.00 0.00 H new ATOM 0 HG SER A 65 3.503 -2.315 -8.064 1.00 0.00 H new ATOM 955 N VAL A 66 5.619 -1.754 -4.961 1.00 0.00 N ATOM 956 CA VAL A 66 5.719 -0.445 -4.340 1.00 0.00 C ATOM 957 C VAL A 66 5.836 0.624 -5.429 1.00 0.00 C ATOM 958 O VAL A 66 5.955 0.302 -6.609 1.00 0.00 O ATOM 959 CB VAL A 66 6.885 -0.421 -3.351 1.00 0.00 C ATOM 960 CG1 VAL A 66 6.799 0.796 -2.428 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.945 -1.719 -2.543 1.00 0.00 C ATOM 0 H VAL A 66 6.376 -1.978 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 66 4.819 -0.226 -3.765 1.00 0.00 H new ATOM 0 HB VAL A 66 7.808 -0.340 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.641 0.787 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.829 1.708 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.866 0.761 -1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.783 -1.676 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.017 -1.844 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.078 -2.563 -3.220 1.00 0.00 H new ATOM 971 N ASP A 67 5.799 1.876 -4.992 1.00 0.00 N ATOM 972 CA ASP A 67 5.899 2.992 -5.914 1.00 0.00 C ATOM 973 C ASP A 67 7.253 2.943 -6.623 1.00 0.00 C ATOM 974 O ASP A 67 8.282 2.703 -5.991 1.00 0.00 O ATOM 975 CB ASP A 67 5.803 4.329 -5.176 1.00 0.00 C ATOM 976 CG ASP A 67 5.588 5.550 -6.070 1.00 0.00 C ATOM 977 OD1 ASP A 67 5.246 5.334 -7.253 1.00 0.00 O ATOM 978 OD2 ASP A 67 5.771 6.672 -5.552 1.00 0.00 O ATOM 0 H ASP A 67 5.701 2.140 -4.012 1.00 0.00 H new ATOM 0 HA ASP A 67 5.078 2.913 -6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.983 4.273 -4.461 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.718 4.475 -4.601 1.00 0.00 H new ATOM 983 N GLY A 68 7.211 3.172 -7.929 1.00 0.00 N ATOM 984 CA GLY A 68 8.423 3.157 -8.729 1.00 0.00 C ATOM 985 C GLY A 68 9.288 1.941 -8.394 1.00 0.00 C ATOM 986 O GLY A 68 10.481 1.920 -8.691 1.00 0.00 O ATOM 0 H GLY A 68 6.357 3.369 -8.451 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.164 3.142 -9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.990 4.071 -8.552 1.00 0.00 H new ATOM 990 N ARG A 69 8.651 0.953 -7.778 1.00 0.00 N ATOM 991 CA ARG A 69 9.348 -0.263 -7.397 1.00 0.00 C ATOM 992 C ARG A 69 8.379 -1.447 -7.386 1.00 0.00 C ATOM 993 O ARG A 69 7.944 -1.887 -6.323 1.00 0.00 O ATOM 994 CB ARG A 69 9.988 -0.124 -6.014 1.00 0.00 C ATOM 995 CG ARG A 69 11.201 0.807 -6.064 1.00 0.00 C ATOM 996 CD ARG A 69 12.338 0.273 -5.191 1.00 0.00 C ATOM 997 NE ARG A 69 13.002 -0.864 -5.866 1.00 0.00 N ATOM 998 CZ ARG A 69 14.173 -1.388 -5.476 1.00 0.00 C ATOM 999 NH1 ARG A 69 14.814 -0.880 -4.416 1.00 0.00 N ATOM 1000 NH2 ARG A 69 14.702 -2.418 -6.148 1.00 0.00 N ATOM 0 H ARG A 69 7.661 0.971 -7.534 1.00 0.00 H new ATOM 0 HA ARG A 69 10.135 -0.438 -8.131 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.255 0.265 -5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.293 -1.105 -5.650 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.545 0.908 -7.094 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.914 1.802 -5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.062 1.065 -4.997 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.947 -0.045 -4.224 1.00 0.00 H new ATOM 0 HE ARG A 69 12.541 -1.274 -6.678 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.412 -0.094 -3.905 1.00 0.00 H new ATOM 0 HH12 ARG A 69 15.705 -1.279 -4.119 1.00 0.00 H new ATOM 0 HH21 ARG A 69 14.214 -2.804 -6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 69 15.593 -2.817 -5.852 1.00 0.00 H new ATOM 1014 N SER A 70 8.068 -1.930 -8.580 1.00 0.00 N ATOM 1015 CA SER A 70 7.158 -3.054 -8.721 1.00 0.00 C ATOM 1016 C SER A 70 7.757 -4.297 -8.059 1.00 0.00 C ATOM 1017 O SER A 70 8.269 -5.182 -8.742 1.00 0.00 O ATOM 1018 CB SER A 70 6.852 -3.333 -10.194 1.00 0.00 C ATOM 1019 OG SER A 70 6.306 -2.191 -10.850 1.00 0.00 O ATOM 0 H SER A 70 8.431 -1.563 -9.460 1.00 0.00 H new ATOM 0 HA SER A 70 6.221 -2.801 -8.225 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.766 -3.641 -10.702 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.150 -4.164 -10.268 1.00 0.00 H new ATOM 0 HG SER A 70 6.126 -2.408 -11.789 1.00 0.00 H new ATOM 1025 N LEU A 71 7.671 -4.322 -6.737 1.00 0.00 N ATOM 1026 CA LEU A 71 8.197 -5.443 -5.975 1.00 0.00 C ATOM 1027 C LEU A 71 7.589 -6.743 -6.502 1.00 0.00 C ATOM 1028 O LEU A 71 8.312 -7.686 -6.821 1.00 0.00 O ATOM 1029 CB LEU A 71 7.977 -5.222 -4.478 1.00 0.00 C ATOM 1030 CG LEU A 71 9.094 -4.489 -3.734 1.00 0.00 C ATOM 1031 CD1 LEU A 71 9.164 -3.020 -4.157 1.00 0.00 C ATOM 1032 CD2 LEU A 71 8.938 -4.642 -2.220 1.00 0.00 C ATOM 0 H LEU A 71 7.246 -3.585 -6.174 1.00 0.00 H new ATOM 0 HA LEU A 71 9.276 -5.521 -6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.052 -4.661 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.831 -6.193 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 71 10.044 -4.948 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.967 -2.522 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.359 -2.959 -5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.216 -2.531 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.745 -4.111 -1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.980 -4.225 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.977 -5.699 -1.955 1.00 0.00 H new ATOM 1044 N VAL A 72 6.266 -6.752 -6.579 1.00 0.00 N ATOM 1045 CA VAL A 72 5.553 -7.922 -7.063 1.00 0.00 C ATOM 1046 C VAL A 72 5.327 -8.892 -5.902 1.00 0.00 C ATOM 1047 O VAL A 72 4.582 -9.861 -6.035 1.00 0.00 O ATOM 1048 CB VAL A 72 6.313 -8.553 -8.231 1.00 0.00 C ATOM 1049 CG1 VAL A 72 7.109 -9.776 -7.769 1.00 0.00 C ATOM 1050 CG2 VAL A 72 5.361 -8.916 -9.371 1.00 0.00 C ATOM 0 H VAL A 72 5.670 -5.968 -6.314 1.00 0.00 H new ATOM 0 HA VAL A 72 4.572 -7.640 -7.447 1.00 0.00 H new ATOM 0 HB VAL A 72 7.021 -7.816 -8.609 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.640 -10.206 -8.618 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.827 -9.476 -7.006 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.427 -10.518 -7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.926 -9.363 -10.189 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.618 -9.628 -9.012 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.859 -8.016 -9.726 1.00 0.00 H new ATOM 1060 N GLY A 73 5.986 -8.599 -4.789 1.00 0.00 N ATOM 1061 CA GLY A 73 5.866 -9.431 -3.607 1.00 0.00 C ATOM 1062 C GLY A 73 7.192 -9.498 -2.846 1.00 0.00 C ATOM 1063 O GLY A 73 7.707 -10.584 -2.583 1.00 0.00 O ATOM 0 H GLY A 73 6.605 -7.795 -4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.088 -9.033 -2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.557 -10.436 -3.895 1.00 0.00 H new ATOM 1067 N LEU A 74 7.708 -8.323 -2.517 1.00 0.00 N ATOM 1068 CA LEU A 74 8.964 -8.234 -1.792 1.00 0.00 C ATOM 1069 C LEU A 74 8.710 -7.625 -0.411 1.00 0.00 C ATOM 1070 O LEU A 74 7.589 -7.219 -0.104 1.00 0.00 O ATOM 1071 CB LEU A 74 10.005 -7.473 -2.616 1.00 0.00 C ATOM 1072 CG LEU A 74 10.791 -8.304 -3.634 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.823 -7.441 -4.363 1.00 0.00 C ATOM 1074 CD2 LEU A 74 11.432 -9.523 -2.969 1.00 0.00 C ATOM 0 H LEU A 74 7.279 -7.425 -2.739 1.00 0.00 H new ATOM 0 HA LEU A 74 9.381 -9.228 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.500 -6.666 -3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.714 -7.009 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 74 10.093 -8.677 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.368 -8.054 -5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.315 -6.632 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.522 -7.021 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.984 -10.096 -3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.115 -9.193 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.655 -10.150 -2.532 1.00 0.00 H new ATOM 1086 N SER A 75 9.768 -7.581 0.384 1.00 0.00 N ATOM 1087 CA SER A 75 9.673 -7.030 1.726 1.00 0.00 C ATOM 1088 C SER A 75 9.478 -5.514 1.655 1.00 0.00 C ATOM 1089 O SER A 75 9.693 -4.905 0.608 1.00 0.00 O ATOM 1090 CB SER A 75 10.918 -7.367 2.549 1.00 0.00 C ATOM 1091 OG SER A 75 10.592 -7.718 3.890 1.00 0.00 O ATOM 0 H SER A 75 10.696 -7.918 0.126 1.00 0.00 H new ATOM 0 HA SER A 75 8.812 -7.479 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.452 -8.192 2.078 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.593 -6.511 2.552 1.00 0.00 H new ATOM 0 HG SER A 75 10.420 -6.904 4.409 1.00 0.00 H new ATOM 1097 N GLN A 76 9.073 -4.950 2.783 1.00 0.00 N ATOM 1098 CA GLN A 76 8.847 -3.516 2.863 1.00 0.00 C ATOM 1099 C GLN A 76 10.178 -2.775 2.997 1.00 0.00 C ATOM 1100 O GLN A 76 10.241 -1.563 2.796 1.00 0.00 O ATOM 1101 CB GLN A 76 7.907 -3.172 4.020 1.00 0.00 C ATOM 1102 CG GLN A 76 8.672 -3.109 5.345 1.00 0.00 C ATOM 1103 CD GLN A 76 9.236 -4.481 5.719 1.00 0.00 C ATOM 1104 OE1 GLN A 76 10.148 -4.998 5.093 1.00 0.00 O ATOM 1105 NE2 GLN A 76 8.646 -5.039 6.772 1.00 0.00 N ATOM 0 H GLN A 76 8.895 -5.459 3.649 1.00 0.00 H new ATOM 0 HA GLN A 76 8.366 -3.192 1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.424 -2.214 3.829 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.117 -3.920 4.087 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.485 -2.387 5.266 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.009 -2.757 6.135 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.888 -4.551 7.250 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.951 -5.955 7.102 1.00 0.00 H new ATOM 1114 N GLU A 77 11.209 -3.533 3.337 1.00 0.00 N ATOM 1115 CA GLU A 77 12.536 -2.963 3.500 1.00 0.00 C ATOM 1116 C GLU A 77 12.799 -1.910 2.423 1.00 0.00 C ATOM 1117 O GLU A 77 12.831 -0.715 2.712 1.00 0.00 O ATOM 1118 CB GLU A 77 13.610 -4.054 3.474 1.00 0.00 C ATOM 1119 CG GLU A 77 13.363 -5.093 4.570 1.00 0.00 C ATOM 1120 CD GLU A 77 14.338 -4.902 5.733 1.00 0.00 C ATOM 1121 OE1 GLU A 77 15.441 -5.485 5.650 1.00 0.00 O ATOM 1122 OE2 GLU A 77 13.960 -4.179 6.679 1.00 0.00 O ATOM 0 H GLU A 77 11.153 -4.538 3.504 1.00 0.00 H new ATOM 0 HA GLU A 77 12.582 -2.477 4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.614 -4.542 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.594 -3.604 3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.338 -5.009 4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.474 -6.096 4.158 1.00 0.00 H new ATOM 1129 N ARG A 78 12.978 -2.391 1.202 1.00 0.00 N ATOM 1130 CA ARG A 78 13.237 -1.504 0.080 1.00 0.00 C ATOM 1131 C ARG A 78 12.045 -0.573 -0.146 1.00 0.00 C ATOM 1132 O ARG A 78 12.223 0.610 -0.432 1.00 0.00 O ATOM 1133 CB ARG A 78 13.502 -2.300 -1.201 1.00 0.00 C ATOM 1134 CG ARG A 78 14.581 -3.360 -0.973 1.00 0.00 C ATOM 1135 CD ARG A 78 14.007 -4.770 -1.116 1.00 0.00 C ATOM 1136 NE ARG A 78 14.967 -5.638 -1.834 1.00 0.00 N ATOM 1137 CZ ARG A 78 14.915 -6.976 -1.834 1.00 0.00 C ATOM 1138 NH1 ARG A 78 13.949 -7.610 -1.154 1.00 0.00 N ATOM 1139 NH2 ARG A 78 15.829 -7.683 -2.513 1.00 0.00 N ATOM 0 H ARG A 78 12.949 -3.383 0.965 1.00 0.00 H new ATOM 0 HA ARG A 78 14.123 -0.916 0.320 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.581 -2.779 -1.533 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.814 -1.623 -1.996 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.390 -3.219 -1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 78 15.011 -3.238 0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.794 -5.186 -0.131 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.062 -4.733 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 78 15.715 -5.189 -2.362 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.253 -7.073 -0.636 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.910 -8.629 -1.154 1.00 0.00 H new ATOM 0 HH21 ARG A 78 16.565 -7.202 -3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.789 -8.702 -2.513 1.00 0.00 H new ATOM 1153 N ALA A 79 10.856 -1.141 -0.007 1.00 0.00 N ATOM 1154 CA ALA A 79 9.634 -0.374 -0.193 1.00 0.00 C ATOM 1155 C ALA A 79 9.648 0.834 0.745 1.00 0.00 C ATOM 1156 O ALA A 79 10.153 1.897 0.387 1.00 0.00 O ATOM 1157 CB ALA A 79 8.424 -1.279 0.041 1.00 0.00 C ATOM 0 H ALA A 79 10.712 -2.122 0.232 1.00 0.00 H new ATOM 0 HA ALA A 79 9.568 0.002 -1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.508 -0.705 -0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.445 -2.106 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.455 -1.672 1.057 1.00 0.00 H new ATOM 1163 N ALA A 80 9.089 0.631 1.929 1.00 0.00 N ATOM 1164 CA ALA A 80 9.030 1.690 2.922 1.00 0.00 C ATOM 1165 C ALA A 80 9.878 2.872 2.449 1.00 0.00 C ATOM 1166 O ALA A 80 9.345 3.869 1.964 1.00 0.00 O ATOM 1167 CB ALA A 80 9.490 1.146 4.276 1.00 0.00 C ATOM 0 H ALA A 80 8.672 -0.252 2.223 1.00 0.00 H new ATOM 0 HA ALA A 80 8.007 2.046 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.446 1.940 5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.838 0.327 4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.514 0.783 4.193 1.00 0.00 H new ATOM 1173 N GLU A 81 11.186 2.724 2.609 1.00 0.00 N ATOM 1174 CA GLU A 81 12.112 3.768 2.206 1.00 0.00 C ATOM 1175 C GLU A 81 11.635 4.429 0.911 1.00 0.00 C ATOM 1176 O GLU A 81 11.133 5.553 0.934 1.00 0.00 O ATOM 1177 CB GLU A 81 13.528 3.209 2.044 1.00 0.00 C ATOM 1178 CG GLU A 81 14.533 4.334 1.784 1.00 0.00 C ATOM 1179 CD GLU A 81 15.968 3.845 1.988 1.00 0.00 C ATOM 1180 OE1 GLU A 81 16.268 3.424 3.125 1.00 0.00 O ATOM 1181 OE2 GLU A 81 16.734 3.903 1.000 1.00 0.00 O ATOM 0 H GLU A 81 11.625 1.897 3.012 1.00 0.00 H new ATOM 0 HA GLU A 81 12.140 4.525 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.813 2.662 2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.550 2.498 1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.413 4.706 0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 81 14.331 5.169 2.454 1.00 0.00 H new ATOM 1188 N LEU A 82 11.806 3.707 -0.185 1.00 0.00 N ATOM 1189 CA LEU A 82 11.399 4.211 -1.486 1.00 0.00 C ATOM 1190 C LEU A 82 9.873 4.178 -1.585 1.00 0.00 C ATOM 1191 O LEU A 82 9.316 4.280 -2.677 1.00 0.00 O ATOM 1192 CB LEU A 82 12.105 3.440 -2.603 1.00 0.00 C ATOM 1193 CG LEU A 82 12.357 4.218 -3.897 1.00 0.00 C ATOM 1194 CD1 LEU A 82 11.170 5.123 -4.234 1.00 0.00 C ATOM 1195 CD2 LEU A 82 13.671 4.998 -3.820 1.00 0.00 C ATOM 0 H LEU A 82 12.221 2.776 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 82 11.704 5.251 -1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.063 3.085 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.510 2.559 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 82 12.455 3.502 -4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.376 5.664 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.274 4.516 -4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.014 5.835 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.826 5.542 -4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.627 5.704 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.497 4.305 -3.663 1.00 0.00 H new ATOM 1207 N MET A 83 9.238 4.034 -0.429 1.00 0.00 N ATOM 1208 CA MET A 83 7.787 3.987 -0.373 1.00 0.00 C ATOM 1209 C MET A 83 7.240 5.083 0.545 1.00 0.00 C ATOM 1210 O MET A 83 6.027 5.259 0.650 1.00 0.00 O ATOM 1211 CB MET A 83 7.341 2.618 0.144 1.00 0.00 C ATOM 1212 CG MET A 83 5.852 2.390 -0.124 1.00 0.00 C ATOM 1213 SD MET A 83 5.418 0.698 0.246 1.00 0.00 S ATOM 1214 CE MET A 83 5.287 0.794 2.023 1.00 0.00 C ATOM 0 H MET A 83 9.703 3.948 0.475 1.00 0.00 H new ATOM 0 HA MET A 83 7.396 4.151 -1.377 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.925 1.835 -0.339 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.537 2.548 1.214 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.256 3.069 0.486 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.623 2.613 -1.166 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.701 -0.111 2.468 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.841 1.661 2.382 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.239 0.891 2.306 1.00 0.00 H new ATOM 1224 N THR A 84 8.159 5.790 1.183 1.00 0.00 N ATOM 1225 CA THR A 84 7.782 6.863 2.088 1.00 0.00 C ATOM 1226 C THR A 84 8.090 8.222 1.459 1.00 0.00 C ATOM 1227 O THR A 84 7.243 9.117 1.460 1.00 0.00 O ATOM 1228 CB THR A 84 8.500 6.633 3.420 1.00 0.00 C ATOM 1229 OG1 THR A 84 8.495 5.217 3.577 1.00 0.00 O ATOM 1230 CG2 THR A 84 7.696 7.145 4.615 1.00 0.00 C ATOM 0 H THR A 84 9.164 5.642 1.092 1.00 0.00 H new ATOM 0 HA THR A 84 6.709 6.863 2.277 1.00 0.00 H new ATOM 0 HB THR A 84 9.471 7.128 3.399 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.211 4.825 3.034 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.251 6.957 5.534 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.526 8.216 4.507 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.738 6.628 4.657 1.00 0.00 H new ATOM 1238 N ARG A 85 9.302 8.338 0.937 1.00 0.00 N ATOM 1239 CA ARG A 85 9.731 9.574 0.305 1.00 0.00 C ATOM 1240 C ARG A 85 8.893 9.852 -0.944 1.00 0.00 C ATOM 1241 O ARG A 85 9.426 9.925 -2.050 1.00 0.00 O ATOM 1242 CB ARG A 85 11.209 9.509 -0.084 1.00 0.00 C ATOM 1243 CG ARG A 85 12.085 9.210 1.133 1.00 0.00 C ATOM 1244 CD ARG A 85 13.516 9.706 0.915 1.00 0.00 C ATOM 1245 NE ARG A 85 14.381 8.586 0.481 1.00 0.00 N ATOM 1246 CZ ARG A 85 14.475 8.159 -0.785 1.00 0.00 C ATOM 1247 NH1 ARG A 85 13.761 8.757 -1.749 1.00 0.00 N ATOM 1248 NH2 ARG A 85 15.286 7.137 -1.088 1.00 0.00 N ATOM 0 H ARG A 85 10.001 7.595 0.939 1.00 0.00 H new ATOM 0 HA ARG A 85 9.592 10.380 1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.356 8.738 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.513 10.456 -0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.661 9.688 2.016 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.094 8.137 1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.525 10.495 0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.904 10.139 1.837 1.00 0.00 H new ATOM 0 HE ARG A 85 14.940 8.110 1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.146 9.537 -1.518 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.833 8.432 -2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.832 6.684 -0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.358 6.811 -2.052 1.00 0.00 H new ATOM 1262 N THR A 86 7.594 9.996 -0.725 1.00 0.00 N ATOM 1263 CA THR A 86 6.676 10.263 -1.821 1.00 0.00 C ATOM 1264 C THR A 86 6.650 11.759 -2.140 1.00 0.00 C ATOM 1265 O THR A 86 6.865 12.158 -3.285 1.00 0.00 O ATOM 1266 CB THR A 86 5.306 9.699 -1.440 1.00 0.00 C ATOM 1267 OG1 THR A 86 5.175 8.533 -2.248 1.00 0.00 O ATOM 1268 CG2 THR A 86 4.155 10.599 -1.890 1.00 0.00 C ATOM 0 H THR A 86 7.155 9.933 0.194 1.00 0.00 H new ATOM 0 HA THR A 86 7.001 9.772 -2.738 1.00 0.00 H new ATOM 0 HB THR A 86 5.257 9.564 -0.360 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.269 8.777 -3.192 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.206 10.151 -1.594 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.255 11.579 -1.423 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.182 10.709 -2.974 1.00 0.00 H new ATOM 1276 N SER A 87 6.380 12.547 -1.110 1.00 0.00 N ATOM 1277 CA SER A 87 6.321 13.991 -1.267 1.00 0.00 C ATOM 1278 C SER A 87 5.857 14.345 -2.681 1.00 0.00 C ATOM 1279 O SER A 87 6.514 15.117 -3.378 1.00 0.00 O ATOM 1280 CB SER A 87 7.680 14.632 -0.976 1.00 0.00 C ATOM 1281 OG SER A 87 7.785 15.072 0.374 1.00 0.00 O ATOM 0 H SER A 87 6.200 12.213 -0.163 1.00 0.00 H new ATOM 0 HA SER A 87 5.603 14.385 -0.548 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.472 13.913 -1.185 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.832 15.478 -1.646 1.00 0.00 H new ATOM 0 HG SER A 87 8.667 15.473 0.520 1.00 0.00 H new ATOM 1287 N SER A 88 4.730 13.763 -3.062 1.00 0.00 N ATOM 1288 CA SER A 88 4.172 14.008 -4.381 1.00 0.00 C ATOM 1289 C SER A 88 3.110 12.954 -4.704 1.00 0.00 C ATOM 1290 O SER A 88 1.942 13.284 -4.905 1.00 0.00 O ATOM 1291 CB SER A 88 5.265 14.006 -5.453 1.00 0.00 C ATOM 1292 OG SER A 88 5.812 15.305 -5.660 1.00 0.00 O ATOM 0 H SER A 88 4.188 13.123 -2.481 1.00 0.00 H new ATOM 0 HA SER A 88 3.708 14.994 -4.377 1.00 0.00 H new ATOM 0 HB2 SER A 88 6.060 13.321 -5.159 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.853 13.633 -6.390 1.00 0.00 H new ATOM 0 HG SER A 88 5.937 15.749 -4.795 1.00 0.00 H new ATOM 1298 N VAL A 89 3.555 11.706 -4.745 1.00 0.00 N ATOM 1299 CA VAL A 89 2.658 10.602 -5.039 1.00 0.00 C ATOM 1300 C VAL A 89 3.267 9.301 -4.513 1.00 0.00 C ATOM 1301 O VAL A 89 4.476 9.092 -4.615 1.00 0.00 O ATOM 1302 CB VAL A 89 2.358 10.557 -6.539 1.00 0.00 C ATOM 1303 CG1 VAL A 89 3.621 10.236 -7.341 1.00 0.00 C ATOM 1304 CG2 VAL A 89 1.244 9.554 -6.845 1.00 0.00 C ATOM 0 H VAL A 89 4.525 11.436 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 89 1.703 10.742 -4.533 1.00 0.00 H new ATOM 0 HB VAL A 89 2.011 11.545 -6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.380 10.210 -8.404 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.373 11.003 -7.158 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.011 9.266 -7.033 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.050 9.541 -7.918 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.550 8.560 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.337 9.845 -6.316 1.00 0.00 H new ATOM 1314 N VAL A 90 2.405 8.461 -3.960 1.00 0.00 N ATOM 1315 CA VAL A 90 2.843 7.187 -3.419 1.00 0.00 C ATOM 1316 C VAL A 90 1.961 6.068 -3.978 1.00 0.00 C ATOM 1317 O VAL A 90 0.774 5.993 -3.665 1.00 0.00 O ATOM 1318 CB VAL A 90 2.841 7.241 -1.889 1.00 0.00 C ATOM 1319 CG1 VAL A 90 1.483 6.816 -1.327 1.00 0.00 C ATOM 1320 CG2 VAL A 90 3.967 6.383 -1.308 1.00 0.00 C ATOM 0 H VAL A 90 1.404 8.639 -3.875 1.00 0.00 H new ATOM 0 HA VAL A 90 3.868 6.975 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 90 3.019 8.274 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.509 6.863 -0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.709 7.486 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.263 5.796 -1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.943 6.439 -0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.834 5.347 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.928 6.750 -1.669 1.00 0.00 H new ATOM 1330 N THR A 91 2.577 5.229 -4.797 1.00 0.00 N ATOM 1331 CA THR A 91 1.864 4.117 -5.404 1.00 0.00 C ATOM 1332 C THR A 91 2.063 2.842 -4.582 1.00 0.00 C ATOM 1333 O THR A 91 2.969 2.770 -3.753 1.00 0.00 O ATOM 1334 CB THR A 91 2.335 3.986 -6.854 1.00 0.00 C ATOM 1335 OG1 THR A 91 2.641 5.324 -7.241 1.00 0.00 O ATOM 1336 CG2 THR A 91 1.208 3.572 -7.801 1.00 0.00 C ATOM 0 H THR A 91 3.562 5.296 -5.055 1.00 0.00 H new ATOM 0 HA THR A 91 0.789 4.295 -5.412 1.00 0.00 H new ATOM 0 HB THR A 91 3.141 3.255 -6.909 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.553 5.361 -7.598 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.596 3.494 -8.816 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.808 2.607 -7.490 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.416 4.320 -7.772 1.00 0.00 H new ATOM 1344 N LEU A 92 1.204 1.868 -4.842 1.00 0.00 N ATOM 1345 CA LEU A 92 1.274 0.599 -4.138 1.00 0.00 C ATOM 1346 C LEU A 92 0.371 -0.419 -4.835 1.00 0.00 C ATOM 1347 O LEU A 92 -0.731 -0.083 -5.268 1.00 0.00 O ATOM 1348 CB LEU A 92 0.952 0.791 -2.655 1.00 0.00 C ATOM 1349 CG LEU A 92 2.117 1.232 -1.765 1.00 0.00 C ATOM 1350 CD1 LEU A 92 1.991 2.708 -1.387 1.00 0.00 C ATOM 1351 CD2 LEU A 92 2.238 0.333 -0.533 1.00 0.00 C ATOM 0 H LEU A 92 0.455 1.932 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 92 2.288 0.201 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.156 1.531 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.558 -0.148 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 92 3.040 1.124 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.831 2.995 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.993 3.317 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.059 2.866 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.073 0.669 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.317 0.385 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.410 -0.696 -0.849 1.00 0.00 H new ATOM 1363 N GLU A 93 0.871 -1.642 -4.927 1.00 0.00 N ATOM 1364 CA GLU A 93 0.122 -2.711 -5.565 1.00 0.00 C ATOM 1365 C GLU A 93 -0.443 -3.666 -4.512 1.00 0.00 C ATOM 1366 O GLU A 93 0.299 -4.441 -3.909 1.00 0.00 O ATOM 1367 CB GLU A 93 0.994 -3.462 -6.573 1.00 0.00 C ATOM 1368 CG GLU A 93 0.143 -4.375 -7.459 1.00 0.00 C ATOM 1369 CD GLU A 93 0.100 -5.798 -6.897 1.00 0.00 C ATOM 1370 OE1 GLU A 93 -0.808 -6.058 -6.079 1.00 0.00 O ATOM 1371 OE2 GLU A 93 0.977 -6.594 -7.298 1.00 0.00 O ATOM 0 H GLU A 93 1.786 -1.917 -4.570 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.712 -2.269 -6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.536 -2.748 -7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.740 -4.055 -6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.869 -3.978 -7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.551 -4.391 -8.469 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.752 -3.579 -4.322 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.425 -4.425 -3.353 1.00 0.00 C ATOM 1380 C VAL A 94 -3.189 -5.528 -4.088 1.00 0.00 C ATOM 1381 O VAL A 94 -3.320 -5.488 -5.310 1.00 0.00 O ATOM 1382 CB VAL A 94 -3.323 -3.575 -2.450 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -2.574 -2.344 -1.937 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -4.607 -3.174 -3.177 1.00 0.00 C ATOM 0 H VAL A 94 -2.364 -2.935 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.699 -4.911 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.602 -4.180 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.234 -1.757 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.702 -2.661 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.252 -1.736 -2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.227 -2.571 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.356 -2.595 -4.066 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.154 -4.070 -3.470 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.672 -6.487 -3.312 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.420 -7.599 -3.875 1.00 0.00 C ATOM 1396 C ALA A 95 -5.408 -8.124 -2.830 1.00 0.00 C ATOM 1397 O ALA A 95 -5.105 -8.142 -1.639 1.00 0.00 O ATOM 1398 CB ALA A 95 -3.447 -8.679 -4.353 1.00 0.00 C ATOM 0 H ALA A 95 -3.560 -6.517 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.997 -7.275 -4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.008 -9.513 -4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.787 -8.263 -5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.852 -9.031 -3.510 1.00 0.00 H new