USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 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 18 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0181) USER MOD Single : A 22 HIS : no HD1:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 0.837 (180deg=0.643) USER MOD Single : A 25 SER OG : rot 68:sc= 0.0949 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 31 ASN : amide:sc= 0.0101 K(o=0.01,f=-2.4!) USER MOD Single : A 44 SER OG : rot 180:sc= -1.13 USER MOD Single : A 55 SER OG : rot -85:sc= 1.08 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.392 K(o=-0.39,f=-2.8!) USER MOD Single : A 71 ASN : amide:sc= -0.0421 K(o=-0.042,f=-0.58) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.552 F(o=-1.5,f=-0.55) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 77 HIS : no HE2:sc= -1.15 K(o=-1.2,f=-2.4) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 90 SER OG : rot 180:sc= 0.00944 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.598 USER MOD Single : A 96 GLN : amide:sc= -1.32 K(o=-1.3,f=-5.7!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot -120:sc= -0.129 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N GLU A 15 -6.689 10.176 -8.277 1.00 0.00 N ATOM 165 CA GLU A 15 -6.957 8.765 -8.499 1.00 0.00 C ATOM 166 C GLU A 15 -5.763 7.921 -8.047 1.00 0.00 C ATOM 167 O GLU A 15 -4.719 8.461 -7.682 1.00 0.00 O ATOM 168 CB GLU A 15 -7.295 8.494 -9.966 1.00 0.00 C ATOM 169 CG GLU A 15 -8.768 8.112 -10.128 1.00 0.00 C ATOM 170 CD GLU A 15 -9.032 7.522 -11.515 1.00 0.00 C ATOM 171 OE1 GLU A 15 -8.547 8.131 -12.493 1.00 0.00 O ATOM 172 OE2 GLU A 15 -9.713 6.475 -11.565 1.00 0.00 O ATOM 0 HA GLU A 15 -7.825 8.482 -7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.078 9.380 -10.563 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.663 7.691 -10.346 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.046 7.388 -9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.394 8.991 -9.978 1.00 0.00 H new ATOM 179 N PRO A 16 -5.961 6.576 -8.088 1.00 0.00 N ATOM 180 CA PRO A 16 -4.913 5.653 -7.687 1.00 0.00 C ATOM 181 C PRO A 16 -3.825 5.560 -8.759 1.00 0.00 C ATOM 182 O PRO A 16 -4.118 5.303 -9.925 1.00 0.00 O ATOM 183 CB PRO A 16 -5.624 4.331 -7.446 1.00 0.00 C ATOM 184 CG PRO A 16 -6.959 4.440 -8.164 1.00 0.00 C ATOM 185 CD PRO A 16 -7.183 5.902 -8.515 1.00 0.00 C ATOM 0 HA PRO A 16 -4.388 5.977 -6.788 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.039 3.497 -7.833 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.767 4.153 -6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.959 3.827 -9.065 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.765 4.072 -7.529 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.354 6.031 -9.584 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.057 6.303 -8.002 1.00 0.00 H new ATOM 193 N ARG A 17 -2.592 5.773 -8.324 1.00 0.00 N ATOM 194 CA ARG A 17 -1.458 5.717 -9.232 1.00 0.00 C ATOM 195 C ARG A 17 -0.735 4.376 -9.094 1.00 0.00 C ATOM 196 O ARG A 17 -0.811 3.729 -8.051 1.00 0.00 O ATOM 197 CB ARG A 17 -0.472 6.852 -8.952 1.00 0.00 C ATOM 198 CG ARG A 17 0.092 6.752 -7.533 1.00 0.00 C ATOM 199 CD ARG A 17 -0.006 8.097 -6.809 1.00 0.00 C ATOM 200 NE ARG A 17 0.578 9.167 -7.648 1.00 0.00 N ATOM 201 CZ ARG A 17 0.358 10.475 -7.458 1.00 0.00 C ATOM 202 NH1 ARG A 17 -0.434 10.882 -6.456 1.00 0.00 N ATOM 203 NH2 ARG A 17 0.929 11.376 -8.269 1.00 0.00 N ATOM 0 H ARG A 17 -2.353 5.985 -7.355 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.839 5.825 -10.247 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.343 6.816 -9.674 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.971 7.812 -9.082 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.454 5.993 -6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.133 6.431 -7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.049 8.325 -6.588 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.518 8.045 -5.855 1.00 0.00 H new ATOM 0 HE ARG A 17 1.186 8.892 -8.419 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.869 10.196 -5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.602 11.878 -6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.532 11.066 -9.032 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.761 12.372 -8.124 1.00 0.00 H new ATOM 217 N LYS A 18 -0.048 3.998 -10.162 1.00 0.00 N ATOM 218 CA LYS A 18 0.689 2.746 -10.174 1.00 0.00 C ATOM 219 C LYS A 18 2.088 2.977 -9.599 1.00 0.00 C ATOM 220 O LYS A 18 2.956 3.532 -10.272 1.00 0.00 O ATOM 221 CB LYS A 18 0.694 2.140 -11.578 1.00 0.00 C ATOM 222 CG LYS A 18 1.935 1.272 -11.797 1.00 0.00 C ATOM 223 CD LYS A 18 1.866 0.545 -13.141 1.00 0.00 C ATOM 224 CE LYS A 18 0.727 -0.477 -13.154 1.00 0.00 C ATOM 225 NZ LYS A 18 -0.375 -0.014 -14.027 1.00 0.00 N ATOM 0 H LYS A 18 0.014 4.537 -11.026 1.00 0.00 H new ATOM 0 HA LYS A 18 0.199 2.010 -9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.204 1.539 -11.722 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.667 2.936 -12.322 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.829 1.894 -11.762 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.021 0.544 -10.990 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.719 1.269 -13.943 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.813 0.042 -13.335 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.098 -1.439 -13.506 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.356 -0.630 -12.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.186 -0.658 -13.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.660 0.946 -13.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.054 -0.004 -15.016 1.00 0.00 H new ATOM 239 N ILE A 19 2.264 2.540 -8.361 1.00 0.00 N ATOM 240 CA ILE A 19 3.543 2.692 -7.688 1.00 0.00 C ATOM 241 C ILE A 19 4.256 1.339 -7.644 1.00 0.00 C ATOM 242 O ILE A 19 3.782 0.405 -7.000 1.00 0.00 O ATOM 243 CB ILE A 19 3.351 3.331 -6.311 1.00 0.00 C ATOM 244 CG1 ILE A 19 2.829 4.764 -6.439 1.00 0.00 C ATOM 245 CG2 ILE A 19 4.640 3.262 -5.490 1.00 0.00 C ATOM 246 CD1 ILE A 19 1.726 5.039 -5.415 1.00 0.00 C ATOM 0 H ILE A 19 1.542 2.080 -7.806 1.00 0.00 H new ATOM 0 HA ILE A 19 4.187 3.374 -8.244 1.00 0.00 H new ATOM 0 HB ILE A 19 2.595 2.760 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.649 5.468 -6.294 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.444 4.926 -7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.476 3.723 -4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.930 2.220 -5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.434 3.794 -6.014 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.373 6.064 -5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.898 4.350 -5.578 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.121 4.900 -4.409 1.00 0.00 H new ATOM 258 N ILE A 20 5.383 1.278 -8.338 1.00 0.00 N ATOM 259 CA ILE A 20 6.166 0.055 -8.386 1.00 0.00 C ATOM 260 C ILE A 20 7.365 0.184 -7.445 1.00 0.00 C ATOM 261 O ILE A 20 8.353 0.836 -7.778 1.00 0.00 O ATOM 262 CB ILE A 20 6.551 -0.278 -9.829 1.00 0.00 C ATOM 263 CG1 ILE A 20 5.380 -0.924 -10.574 1.00 0.00 C ATOM 264 CG2 ILE A 20 7.809 -1.148 -9.875 1.00 0.00 C ATOM 265 CD1 ILE A 20 5.317 -0.438 -12.023 1.00 0.00 C ATOM 0 H ILE A 20 5.772 2.055 -8.871 1.00 0.00 H new ATOM 0 HA ILE A 20 5.574 -0.790 -8.034 1.00 0.00 H new ATOM 0 HB ILE A 20 6.785 0.654 -10.343 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.486 -2.009 -10.555 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.445 -0.686 -10.066 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.060 -1.370 -10.912 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.637 -0.616 -9.407 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.627 -2.079 -9.339 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.476 -0.912 -12.530 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.186 0.644 -12.038 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.243 -0.699 -12.535 1.00 0.00 H new ATOM 277 N LEU A 21 7.238 -0.448 -6.287 1.00 0.00 N ATOM 278 CA LEU A 21 8.298 -0.411 -5.294 1.00 0.00 C ATOM 279 C LEU A 21 9.182 -1.650 -5.454 1.00 0.00 C ATOM 280 O LEU A 21 8.679 -2.757 -5.637 1.00 0.00 O ATOM 281 CB LEU A 21 7.713 -0.250 -3.890 1.00 0.00 C ATOM 282 CG LEU A 21 6.935 1.042 -3.632 1.00 0.00 C ATOM 283 CD1 LEU A 21 7.367 2.145 -4.599 1.00 0.00 C ATOM 284 CD2 LEU A 21 5.426 0.793 -3.683 1.00 0.00 C ATOM 0 H LEU A 21 6.417 -0.989 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 21 8.935 0.459 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.052 -1.094 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.528 -0.310 -3.169 1.00 0.00 H new ATOM 0 HG LEU A 21 7.170 1.387 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.798 3.052 -4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.430 2.346 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.180 1.824 -5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.897 1.727 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.153 0.412 -4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.152 0.062 -2.922 1.00 0.00 H new ATOM 296 N HIS A 22 10.485 -1.421 -5.379 1.00 0.00 N ATOM 297 CA HIS A 22 11.444 -2.504 -5.512 1.00 0.00 C ATOM 298 C HIS A 22 11.963 -2.904 -4.130 1.00 0.00 C ATOM 299 O HIS A 22 12.794 -2.207 -3.549 1.00 0.00 O ATOM 300 CB HIS A 22 12.567 -2.120 -6.478 1.00 0.00 C ATOM 301 CG HIS A 22 12.115 -1.952 -7.909 1.00 0.00 C ATOM 302 ND1 HIS A 22 12.744 -1.099 -8.799 1.00 0.00 N ATOM 303 CD2 HIS A 22 11.091 -2.537 -8.595 1.00 0.00 C ATOM 304 CE1 HIS A 22 12.118 -1.174 -9.964 1.00 0.00 C ATOM 305 NE2 HIS A 22 11.094 -2.065 -9.836 1.00 0.00 N ATOM 0 H HIS A 22 10.899 -0.501 -5.228 1.00 0.00 H new ATOM 0 HA HIS A 22 10.954 -3.376 -5.944 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.021 -1.189 -6.139 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.343 -2.885 -6.440 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.396 -3.261 -8.196 1.00 0.00 H new ATOM 0 HE1 HIS A 22 12.374 -0.625 -10.858 1.00 0.00 H new ATOM 0 HE2 HIS A 22 10.438 -2.326 -10.572 1.00 0.00 H new ATOM 313 N LYS A 23 11.451 -4.024 -3.642 1.00 0.00 N ATOM 314 CA LYS A 23 11.852 -4.525 -2.338 1.00 0.00 C ATOM 315 C LYS A 23 13.374 -4.433 -2.207 1.00 0.00 C ATOM 316 O LYS A 23 14.104 -5.123 -2.916 1.00 0.00 O ATOM 317 CB LYS A 23 11.300 -5.934 -2.112 1.00 0.00 C ATOM 318 CG LYS A 23 9.955 -5.886 -1.384 1.00 0.00 C ATOM 319 CD LYS A 23 9.634 -7.234 -0.736 1.00 0.00 C ATOM 320 CE LYS A 23 8.251 -7.731 -1.162 1.00 0.00 C ATOM 321 NZ LYS A 23 7.297 -7.636 -0.035 1.00 0.00 N ATOM 0 H LYS A 23 10.762 -4.599 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 23 11.425 -3.909 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.181 -6.440 -3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.012 -6.518 -1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.978 -5.108 -0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.166 -5.619 -2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.390 -7.966 -1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.672 -7.138 0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.889 -7.140 -2.004 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.318 -8.764 -1.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.382 -8.040 -0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.669 -8.163 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.168 -6.638 0.228 1.00 0.00 H new ATOM 335 N GLY A 24 13.806 -3.574 -1.295 1.00 0.00 N ATOM 336 CA GLY A 24 15.227 -3.383 -1.062 1.00 0.00 C ATOM 337 C GLY A 24 15.786 -4.478 -0.152 1.00 0.00 C ATOM 338 O GLY A 24 16.886 -4.980 -0.381 1.00 0.00 O ATOM 0 H GLY A 24 13.197 -3.003 -0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.759 -3.389 -2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.397 -2.407 -0.608 1.00 0.00 H new ATOM 342 N SER A 25 15.004 -4.817 0.862 1.00 0.00 N ATOM 343 CA SER A 25 15.407 -5.843 1.808 1.00 0.00 C ATOM 344 C SER A 25 14.384 -5.940 2.942 1.00 0.00 C ATOM 345 O SER A 25 13.945 -7.034 3.295 1.00 0.00 O ATOM 346 CB SER A 25 16.800 -5.556 2.372 1.00 0.00 C ATOM 347 OG SER A 25 17.759 -6.518 1.941 1.00 0.00 O ATOM 0 H SER A 25 14.093 -4.399 1.049 1.00 0.00 H new ATOM 0 HA SER A 25 15.448 -6.797 1.282 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.119 -4.561 2.061 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.756 -5.551 3.461 1.00 0.00 H new ATOM 0 HG SER A 25 17.906 -6.424 0.977 1.00 0.00 H new ATOM 353 N THR A 26 14.036 -4.782 3.482 1.00 0.00 N ATOM 354 CA THR A 26 13.073 -4.722 4.569 1.00 0.00 C ATOM 355 C THR A 26 11.657 -4.954 4.041 1.00 0.00 C ATOM 356 O THR A 26 10.894 -5.727 4.618 1.00 0.00 O ATOM 357 CB THR A 26 13.245 -3.378 5.279 1.00 0.00 C ATOM 358 OG1 THR A 26 12.684 -2.432 4.373 1.00 0.00 O ATOM 359 CG2 THR A 26 14.712 -2.959 5.394 1.00 0.00 C ATOM 0 H THR A 26 14.403 -3.877 3.187 1.00 0.00 H new ATOM 0 HA THR A 26 13.248 -5.515 5.296 1.00 0.00 H new ATOM 0 HB THR A 26 12.805 -3.435 6.275 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.752 -1.532 4.756 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.777 -1.999 5.906 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.262 -3.710 5.961 1.00 0.00 H new ATOM 0 HG23 THR A 26 15.144 -2.869 4.397 1.00 0.00 H new ATOM 367 N GLY A 27 11.348 -4.269 2.949 1.00 0.00 N ATOM 368 CA GLY A 27 10.036 -4.391 2.336 1.00 0.00 C ATOM 369 C GLY A 27 9.869 -3.386 1.195 1.00 0.00 C ATOM 370 O GLY A 27 10.783 -3.192 0.394 1.00 0.00 O ATOM 0 H GLY A 27 11.983 -3.628 2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.901 -5.404 1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.263 -4.226 3.087 1.00 0.00 H new ATOM 374 N LEU A 28 8.695 -2.772 1.156 1.00 0.00 N ATOM 375 CA LEU A 28 8.397 -1.792 0.126 1.00 0.00 C ATOM 376 C LEU A 28 8.756 -0.396 0.637 1.00 0.00 C ATOM 377 O LEU A 28 8.796 0.561 -0.135 1.00 0.00 O ATOM 378 CB LEU A 28 6.943 -1.923 -0.334 1.00 0.00 C ATOM 379 CG LEU A 28 6.609 -3.169 -1.156 1.00 0.00 C ATOM 380 CD1 LEU A 28 7.796 -3.586 -2.027 1.00 0.00 C ATOM 381 CD2 LEU A 28 6.132 -4.310 -0.255 1.00 0.00 C ATOM 0 H LEU A 28 7.939 -2.935 1.821 1.00 0.00 H new ATOM 0 HA LEU A 28 9.005 -1.974 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.302 -1.911 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.689 -1.043 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 28 5.786 -2.923 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.532 -4.474 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.049 -2.775 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.654 -3.806 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.901 -5.183 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.917 -4.563 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.238 -3.998 0.285 1.00 0.00 H new ATOM 393 N GLY A 29 9.009 -0.323 1.936 1.00 0.00 N ATOM 394 CA GLY A 29 9.364 0.941 2.559 1.00 0.00 C ATOM 395 C GLY A 29 8.117 1.777 2.852 1.00 0.00 C ATOM 396 O GLY A 29 8.149 3.003 2.749 1.00 0.00 O ATOM 0 H GLY A 29 8.975 -1.118 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.907 0.754 3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.034 1.498 1.904 1.00 0.00 H new ATOM 400 N PHE A 30 7.048 1.082 3.210 1.00 0.00 N ATOM 401 CA PHE A 30 5.793 1.745 3.519 1.00 0.00 C ATOM 402 C PHE A 30 4.867 0.824 4.316 1.00 0.00 C ATOM 403 O PHE A 30 4.833 -0.383 4.080 1.00 0.00 O ATOM 404 CB PHE A 30 5.127 2.086 2.184 1.00 0.00 C ATOM 405 CG PHE A 30 4.465 0.891 1.495 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.389 0.287 2.067 1.00 0.00 C ATOM 407 CD2 PHE A 30 4.954 0.432 0.312 1.00 0.00 C ATOM 408 CE1 PHE A 30 2.775 -0.822 1.428 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.339 -0.677 -0.327 1.00 0.00 C ATOM 410 CZ PHE A 30 3.263 -1.281 0.244 1.00 0.00 C ATOM 0 H PHE A 30 7.025 0.066 3.293 1.00 0.00 H new ATOM 0 HA PHE A 30 5.981 2.635 4.120 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.376 2.858 2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.875 2.510 1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.002 0.651 3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.810 0.911 -0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.920 -1.301 1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.726 -1.041 -1.267 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.796 -2.125 -0.242 1.00 0.00 H new ATOM 420 N ASN A 31 4.138 1.428 5.243 1.00 0.00 N ATOM 421 CA ASN A 31 3.214 0.677 6.076 1.00 0.00 C ATOM 422 C ASN A 31 1.813 0.747 5.466 1.00 0.00 C ATOM 423 O ASN A 31 1.598 1.437 4.471 1.00 0.00 O ATOM 424 CB ASN A 31 3.145 1.263 7.488 1.00 0.00 C ATOM 425 CG ASN A 31 3.361 0.177 8.543 1.00 0.00 C ATOM 426 OD1 ASN A 31 2.687 -0.840 8.571 1.00 0.00 O ATOM 427 ND2 ASN A 31 4.335 0.448 9.407 1.00 0.00 N ATOM 0 H ASN A 31 4.169 2.429 5.436 1.00 0.00 H new ATOM 0 HA ASN A 31 3.568 -0.353 6.130 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.901 2.040 7.601 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.176 1.737 7.642 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.557 -0.215 10.150 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.860 1.319 9.327 1.00 0.00 H new ATOM 434 N ILE A 32 0.895 0.021 6.089 1.00 0.00 N ATOM 435 CA ILE A 32 -0.480 -0.008 5.620 1.00 0.00 C ATOM 436 C ILE A 32 -1.422 -0.091 6.822 1.00 0.00 C ATOM 437 O ILE A 32 -1.045 -0.598 7.877 1.00 0.00 O ATOM 438 CB ILE A 32 -0.676 -1.137 4.606 1.00 0.00 C ATOM 439 CG1 ILE A 32 -0.231 -2.481 5.188 1.00 0.00 C ATOM 440 CG2 ILE A 32 0.034 -0.821 3.288 1.00 0.00 C ATOM 441 CD1 ILE A 32 -1.164 -3.608 4.741 1.00 0.00 C ATOM 0 H ILE A 32 1.077 -0.551 6.914 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.721 0.912 5.088 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.741 -1.217 4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.788 -2.700 4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.219 -2.424 6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.122 -1.640 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.371 0.100 2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.101 -0.697 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.825 -4.552 5.168 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.178 -3.398 5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.155 -3.678 3.653 1.00 0.00 H new ATOM 453 N VAL A 33 -2.630 0.416 6.622 1.00 0.00 N ATOM 454 CA VAL A 33 -3.630 0.406 7.677 1.00 0.00 C ATOM 455 C VAL A 33 -5.011 0.173 7.062 1.00 0.00 C ATOM 456 O VAL A 33 -5.205 0.379 5.865 1.00 0.00 O ATOM 457 CB VAL A 33 -3.547 1.700 8.489 1.00 0.00 C ATOM 458 CG1 VAL A 33 -2.092 2.125 8.695 1.00 0.00 C ATOM 459 CG2 VAL A 33 -4.356 2.816 7.825 1.00 0.00 C ATOM 0 H VAL A 33 -2.939 0.836 5.745 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.443 -0.411 8.374 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.982 1.509 9.470 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.061 3.047 9.275 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.556 1.341 9.231 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.620 2.290 7.726 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.280 3.725 8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.964 3.005 6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.401 2.515 7.754 1.00 0.00 H new ATOM 469 N GLY A 34 -5.937 -0.253 7.909 1.00 0.00 N ATOM 470 CA GLY A 34 -7.294 -0.516 7.464 1.00 0.00 C ATOM 471 C GLY A 34 -7.653 -1.993 7.640 1.00 0.00 C ATOM 472 O GLY A 34 -6.939 -2.733 8.316 1.00 0.00 O ATOM 0 H GLY A 34 -5.773 -0.422 8.901 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.992 0.101 8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.397 -0.235 6.416 1.00 0.00 H new ATOM 476 N GLY A 35 -8.759 -2.379 7.021 1.00 0.00 N ATOM 477 CA GLY A 35 -9.221 -3.754 7.101 1.00 0.00 C ATOM 478 C GLY A 35 -10.394 -3.883 8.075 1.00 0.00 C ATOM 479 O GLY A 35 -10.449 -4.824 8.865 1.00 0.00 O ATOM 0 H GLY A 35 -9.349 -1.763 6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.525 -4.097 6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.403 -4.398 7.424 1.00 0.00 H new ATOM 483 N GLU A 36 -11.303 -2.923 7.987 1.00 0.00 N ATOM 484 CA GLU A 36 -12.472 -2.917 8.850 1.00 0.00 C ATOM 485 C GLU A 36 -13.711 -2.484 8.064 1.00 0.00 C ATOM 486 O GLU A 36 -13.729 -1.405 7.473 1.00 0.00 O ATOM 487 CB GLU A 36 -12.250 -2.016 10.066 1.00 0.00 C ATOM 488 CG GLU A 36 -11.941 -0.581 9.635 1.00 0.00 C ATOM 489 CD GLU A 36 -13.007 0.388 10.150 1.00 0.00 C ATOM 490 OE1 GLU A 36 -14.121 0.359 9.584 1.00 0.00 O ATOM 491 OE2 GLU A 36 -12.684 1.136 11.098 1.00 0.00 O ATOM 0 H GLU A 36 -11.253 -2.144 7.331 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.635 -3.931 9.215 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.138 -2.027 10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.427 -2.405 10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.963 -0.286 10.015 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.890 -0.527 8.548 1.00 0.00 H new ATOM 498 N ASP A 37 -14.716 -3.346 8.084 1.00 0.00 N ATOM 499 CA ASP A 37 -15.956 -3.065 7.380 1.00 0.00 C ATOM 500 C ASP A 37 -15.650 -2.787 5.907 1.00 0.00 C ATOM 501 O ASP A 37 -16.465 -2.194 5.201 1.00 0.00 O ATOM 502 CB ASP A 37 -16.652 -1.832 7.960 1.00 0.00 C ATOM 503 CG ASP A 37 -17.612 -2.115 9.116 1.00 0.00 C ATOM 504 OD1 ASP A 37 -18.737 -2.573 8.821 1.00 0.00 O ATOM 505 OD2 ASP A 37 -17.200 -1.867 10.270 1.00 0.00 O ATOM 0 H ASP A 37 -14.698 -4.239 8.576 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.609 -3.931 7.488 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.891 -1.132 8.303 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.205 -1.336 7.162 1.00 0.00 H new ATOM 510 N GLY A 38 -14.474 -3.228 5.486 1.00 0.00 N ATOM 511 CA GLY A 38 -14.050 -3.034 4.110 1.00 0.00 C ATOM 512 C GLY A 38 -14.030 -1.548 3.747 1.00 0.00 C ATOM 513 O GLY A 38 -14.574 -1.150 2.718 1.00 0.00 O ATOM 0 H GLY A 38 -13.801 -3.719 6.074 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.057 -3.460 3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.724 -3.567 3.439 1.00 0.00 H new ATOM 517 N GLU A 39 -13.398 -0.769 4.612 1.00 0.00 N ATOM 518 CA GLU A 39 -13.300 0.665 4.395 1.00 0.00 C ATOM 519 C GLU A 39 -12.157 0.978 3.428 1.00 0.00 C ATOM 520 O GLU A 39 -12.116 2.058 2.839 1.00 0.00 O ATOM 521 CB GLU A 39 -13.116 1.408 5.720 1.00 0.00 C ATOM 522 CG GLU A 39 -11.778 1.051 6.368 1.00 0.00 C ATOM 523 CD GLU A 39 -11.645 1.703 7.746 1.00 0.00 C ATOM 524 OE1 GLU A 39 -12.569 2.463 8.106 1.00 0.00 O ATOM 525 OE2 GLU A 39 -10.622 1.425 8.409 1.00 0.00 O ATOM 0 H GLU A 39 -12.949 -1.103 5.465 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.233 1.010 3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.165 2.483 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.931 1.156 6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.694 -0.031 6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.960 1.379 5.726 1.00 0.00 H new ATOM 532 N GLY A 40 -11.257 0.015 3.293 1.00 0.00 N ATOM 533 CA GLY A 40 -10.117 0.175 2.406 1.00 0.00 C ATOM 534 C GLY A 40 -8.808 0.212 3.198 1.00 0.00 C ATOM 535 O GLY A 40 -8.823 0.236 4.428 1.00 0.00 O ATOM 0 H GLY A 40 -11.294 -0.879 3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.090 -0.647 1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.225 1.095 1.831 1.00 0.00 H new ATOM 539 N ILE A 41 -7.707 0.214 2.460 1.00 0.00 N ATOM 540 CA ILE A 41 -6.393 0.248 3.078 1.00 0.00 C ATOM 541 C ILE A 41 -5.758 1.620 2.844 1.00 0.00 C ATOM 542 O ILE A 41 -6.182 2.361 1.958 1.00 0.00 O ATOM 543 CB ILE A 41 -5.537 -0.919 2.580 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.318 -2.233 2.630 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.221 -1.004 3.356 1.00 0.00 C ATOM 546 CD1 ILE A 41 -6.323 -2.815 4.045 1.00 0.00 C ATOM 0 H ILE A 41 -7.699 0.193 1.440 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.476 0.116 4.157 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.284 -0.735 1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.343 -2.064 2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.874 -2.950 1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.632 -1.841 2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.660 -0.079 3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.432 -1.153 4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.885 -3.749 4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.298 -3.006 4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.789 -2.106 4.729 1.00 0.00 H new ATOM 558 N PHE A 42 -4.753 1.918 3.653 1.00 0.00 N ATOM 559 CA PHE A 42 -4.056 3.188 3.545 1.00 0.00 C ATOM 560 C PHE A 42 -2.652 3.096 4.146 1.00 0.00 C ATOM 561 O PHE A 42 -2.434 2.370 5.115 1.00 0.00 O ATOM 562 CB PHE A 42 -4.870 4.214 4.337 1.00 0.00 C ATOM 563 CG PHE A 42 -6.228 4.545 3.714 1.00 0.00 C ATOM 564 CD1 PHE A 42 -7.281 3.703 3.892 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.381 5.680 2.982 1.00 0.00 C ATOM 566 CE1 PHE A 42 -8.541 4.010 3.314 1.00 0.00 C ATOM 567 CE2 PHE A 42 -7.641 5.988 2.404 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.695 5.146 2.582 1.00 0.00 C ATOM 0 H PHE A 42 -4.404 1.301 4.387 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.956 3.469 2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.028 3.836 5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.289 5.132 4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.159 2.801 4.473 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.544 6.348 2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.377 3.341 3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.763 6.890 1.823 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.653 5.380 2.142 1.00 0.00 H new ATOM 578 N VAL A 43 -1.736 3.842 3.546 1.00 0.00 N ATOM 579 CA VAL A 43 -0.359 3.854 4.010 1.00 0.00 C ATOM 580 C VAL A 43 -0.292 4.532 5.380 1.00 0.00 C ATOM 581 O VAL A 43 -0.895 5.584 5.586 1.00 0.00 O ATOM 582 CB VAL A 43 0.539 4.524 2.968 1.00 0.00 C ATOM 583 CG1 VAL A 43 1.943 4.764 3.526 1.00 0.00 C ATOM 584 CG2 VAL A 43 0.594 3.698 1.681 1.00 0.00 C ATOM 0 H VAL A 43 -1.920 4.443 2.742 1.00 0.00 H new ATOM 0 HA VAL A 43 0.011 2.836 4.132 1.00 0.00 H new ATOM 0 HB VAL A 43 0.105 5.494 2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.560 5.241 2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.881 5.411 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.389 3.811 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.239 4.196 0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.992 2.708 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.410 3.602 1.267 1.00 0.00 H new ATOM 594 N SER A 44 0.445 3.901 6.282 1.00 0.00 N ATOM 595 CA SER A 44 0.598 4.430 7.626 1.00 0.00 C ATOM 596 C SER A 44 1.894 5.237 7.727 1.00 0.00 C ATOM 597 O SER A 44 1.966 6.211 8.474 1.00 0.00 O ATOM 598 CB SER A 44 0.591 3.306 8.665 1.00 0.00 C ATOM 599 OG SER A 44 1.864 3.144 9.285 1.00 0.00 O ATOM 0 H SER A 44 0.943 3.028 6.108 1.00 0.00 H new ATOM 0 HA SER A 44 -0.248 5.085 7.833 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.158 3.521 9.427 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.299 2.371 8.186 1.00 0.00 H new ATOM 0 HG SER A 44 1.818 2.419 9.942 1.00 0.00 H new ATOM 605 N PHE A 45 2.886 4.802 6.963 1.00 0.00 N ATOM 606 CA PHE A 45 4.175 5.472 6.957 1.00 0.00 C ATOM 607 C PHE A 45 5.021 5.021 5.765 1.00 0.00 C ATOM 608 O PHE A 45 4.693 4.039 5.102 1.00 0.00 O ATOM 609 CB PHE A 45 4.889 5.080 8.252 1.00 0.00 C ATOM 610 CG PHE A 45 6.379 5.427 8.270 1.00 0.00 C ATOM 611 CD1 PHE A 45 6.780 6.686 8.589 1.00 0.00 C ATOM 612 CD2 PHE A 45 7.303 4.475 7.967 1.00 0.00 C ATOM 613 CE1 PHE A 45 8.163 7.008 8.606 1.00 0.00 C ATOM 614 CE2 PHE A 45 8.686 4.797 7.984 1.00 0.00 C ATOM 615 CZ PHE A 45 9.087 6.057 8.303 1.00 0.00 C ATOM 0 H PHE A 45 2.823 3.994 6.344 1.00 0.00 H new ATOM 0 HA PHE A 45 4.034 6.550 6.881 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.400 5.578 9.089 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.774 4.007 8.408 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.047 7.442 8.830 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.985 3.475 7.714 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.481 8.008 8.860 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.419 4.041 7.744 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.139 6.302 8.316 1.00 0.00 H new ATOM 625 N ILE A 46 6.094 5.762 5.528 1.00 0.00 N ATOM 626 CA ILE A 46 6.990 5.450 4.427 1.00 0.00 C ATOM 627 C ILE A 46 8.438 5.547 4.911 1.00 0.00 C ATOM 628 O ILE A 46 8.872 6.599 5.378 1.00 0.00 O ATOM 629 CB ILE A 46 6.685 6.339 3.220 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.243 6.144 2.746 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.695 6.103 2.095 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.205 5.545 1.339 1.00 0.00 C ATOM 0 H ILE A 46 6.363 6.577 6.079 1.00 0.00 H new ATOM 0 HA ILE A 46 6.834 4.426 4.087 1.00 0.00 H new ATOM 0 HB ILE A 46 6.785 7.380 3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.714 5.489 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.722 7.101 2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.455 6.748 1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.699 6.333 2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.652 5.060 1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.169 5.417 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.713 6.214 0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.706 4.577 1.342 1.00 0.00 H new ATOM 644 N LEU A 47 9.147 4.434 4.783 1.00 0.00 N ATOM 645 CA LEU A 47 10.537 4.380 5.202 1.00 0.00 C ATOM 646 C LEU A 47 11.350 5.391 4.389 1.00 0.00 C ATOM 647 O LEU A 47 11.004 5.698 3.249 1.00 0.00 O ATOM 648 CB LEU A 47 11.069 2.949 5.111 1.00 0.00 C ATOM 649 CG LEU A 47 12.531 2.749 5.514 1.00 0.00 C ATOM 650 CD1 LEU A 47 12.639 2.236 6.951 1.00 0.00 C ATOM 651 CD2 LEU A 47 13.254 1.834 4.523 1.00 0.00 C ATOM 0 H LEU A 47 8.784 3.563 4.395 1.00 0.00 H new ATOM 0 HA LEU A 47 10.630 4.664 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.449 2.311 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.945 2.601 4.085 1.00 0.00 H new ATOM 0 HG LEU A 47 13.029 3.718 5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.689 2.102 7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.185 2.958 7.630 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.120 1.281 7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.291 1.709 4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.762 0.862 4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.224 2.279 3.528 1.00 0.00 H new ATOM 663 N ALA A 48 12.414 5.880 5.008 1.00 0.00 N ATOM 664 CA ALA A 48 13.279 6.849 4.356 1.00 0.00 C ATOM 665 C ALA A 48 14.452 6.120 3.699 1.00 0.00 C ATOM 666 O ALA A 48 15.323 5.590 4.388 1.00 0.00 O ATOM 667 CB ALA A 48 13.738 7.892 5.378 1.00 0.00 C ATOM 0 H ALA A 48 12.697 5.624 5.954 1.00 0.00 H new ATOM 0 HA ALA A 48 12.739 7.378 3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.387 8.619 4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.869 8.402 5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.286 7.398 6.181 1.00 0.00 H new ATOM 673 N GLY A 49 14.438 6.115 2.374 1.00 0.00 N ATOM 674 CA GLY A 49 15.490 5.459 1.616 1.00 0.00 C ATOM 675 C GLY A 49 14.963 4.202 0.922 1.00 0.00 C ATOM 676 O GLY A 49 15.621 3.655 0.038 1.00 0.00 O ATOM 0 H GLY A 49 13.714 6.555 1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.891 6.148 0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.312 5.194 2.282 1.00 0.00 H new ATOM 680 N GLY A 50 13.781 3.781 1.348 1.00 0.00 N ATOM 681 CA GLY A 50 13.158 2.598 0.778 1.00 0.00 C ATOM 682 C GLY A 50 12.717 2.852 -0.665 1.00 0.00 C ATOM 683 O GLY A 50 12.993 3.912 -1.225 1.00 0.00 O ATOM 0 H GLY A 50 13.238 4.238 2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.859 1.764 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.296 2.310 1.380 1.00 0.00 H new ATOM 687 N PRO A 51 12.019 1.836 -1.240 1.00 0.00 N ATOM 688 CA PRO A 51 11.536 1.939 -2.607 1.00 0.00 C ATOM 689 C PRO A 51 10.322 2.867 -2.691 1.00 0.00 C ATOM 690 O PRO A 51 10.144 3.573 -3.682 1.00 0.00 O ATOM 691 CB PRO A 51 11.223 0.511 -3.022 1.00 0.00 C ATOM 692 CG PRO A 51 11.099 -0.281 -1.730 1.00 0.00 C ATOM 693 CD PRO A 51 11.673 0.567 -0.607 1.00 0.00 C ATOM 0 HA PRO A 51 12.269 2.383 -3.280 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.299 0.465 -3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.013 0.106 -3.654 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.055 -0.524 -1.530 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.637 -1.226 -1.808 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.946 0.709 0.193 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.549 0.095 -0.162 1.00 0.00 H new ATOM 701 N ALA A 52 9.519 2.834 -1.638 1.00 0.00 N ATOM 702 CA ALA A 52 8.327 3.663 -1.581 1.00 0.00 C ATOM 703 C ALA A 52 8.736 5.127 -1.408 1.00 0.00 C ATOM 704 O ALA A 52 7.897 6.023 -1.480 1.00 0.00 O ATOM 705 CB ALA A 52 7.419 3.174 -0.450 1.00 0.00 C ATOM 0 H ALA A 52 9.670 2.247 -0.818 1.00 0.00 H new ATOM 0 HA ALA A 52 7.762 3.586 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.525 3.796 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.133 2.139 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.952 3.239 0.499 1.00 0.00 H new ATOM 711 N ASP A 53 10.027 5.324 -1.183 1.00 0.00 N ATOM 712 CA ASP A 53 10.558 6.664 -0.999 1.00 0.00 C ATOM 713 C ASP A 53 11.474 7.011 -2.175 1.00 0.00 C ATOM 714 O ASP A 53 11.310 8.052 -2.809 1.00 0.00 O ATOM 715 CB ASP A 53 11.383 6.759 0.286 1.00 0.00 C ATOM 716 CG ASP A 53 12.225 8.029 0.423 1.00 0.00 C ATOM 717 OD1 ASP A 53 11.627 9.072 0.763 1.00 0.00 O ATOM 718 OD2 ASP A 53 13.448 7.927 0.184 1.00 0.00 O ATOM 0 H ASP A 53 10.720 4.578 -1.124 1.00 0.00 H new ATOM 0 HA ASP A 53 9.716 7.354 -0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.707 6.696 1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.045 5.895 0.339 1.00 0.00 H new ATOM 723 N LEU A 54 12.419 6.118 -2.430 1.00 0.00 N ATOM 724 CA LEU A 54 13.361 6.316 -3.519 1.00 0.00 C ATOM 725 C LEU A 54 12.595 6.413 -4.840 1.00 0.00 C ATOM 726 O LEU A 54 12.776 7.365 -5.598 1.00 0.00 O ATOM 727 CB LEU A 54 14.431 5.222 -3.507 1.00 0.00 C ATOM 728 CG LEU A 54 15.383 5.227 -2.309 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.395 4.085 -2.408 1.00 0.00 C ATOM 730 CD2 LEU A 54 16.066 6.587 -2.157 1.00 0.00 C ATOM 0 H LEU A 54 12.553 5.256 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 54 13.898 7.256 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.932 4.254 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 54 15.024 5.312 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 54 14.796 5.059 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.059 4.112 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 54 15.867 3.132 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.981 4.196 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.737 6.563 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.637 6.810 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.311 7.359 -2.006 1.00 0.00 H new ATOM 742 N SER A 55 11.756 5.415 -5.075 1.00 0.00 N ATOM 743 CA SER A 55 10.962 5.376 -6.291 1.00 0.00 C ATOM 744 C SER A 55 10.488 6.786 -6.652 1.00 0.00 C ATOM 745 O SER A 55 10.317 7.105 -7.827 1.00 0.00 O ATOM 746 CB SER A 55 9.764 4.437 -6.137 1.00 0.00 C ATOM 747 OG SER A 55 8.835 4.911 -5.165 1.00 0.00 O ATOM 0 H SER A 55 11.609 4.627 -4.444 1.00 0.00 H new ATOM 0 HA SER A 55 11.589 4.993 -7.096 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.261 4.331 -7.098 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.115 3.446 -5.850 1.00 0.00 H new ATOM 0 HG SER A 55 9.113 4.613 -4.274 1.00 0.00 H new ATOM 753 N GLY A 56 10.289 7.591 -5.619 1.00 0.00 N ATOM 754 CA GLY A 56 9.839 8.959 -5.812 1.00 0.00 C ATOM 755 C GLY A 56 8.312 9.045 -5.767 1.00 0.00 C ATOM 756 O GLY A 56 7.739 10.111 -5.989 1.00 0.00 O ATOM 0 H GLY A 56 10.431 7.322 -4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.266 9.599 -5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.200 9.333 -6.770 1.00 0.00 H new ATOM 760 N GLU A 57 7.695 7.908 -5.480 1.00 0.00 N ATOM 761 CA GLU A 57 6.246 7.841 -5.403 1.00 0.00 C ATOM 762 C GLU A 57 5.810 7.351 -4.020 1.00 0.00 C ATOM 763 O GLU A 57 6.635 7.208 -3.120 1.00 0.00 O ATOM 764 CB GLU A 57 5.679 6.945 -6.506 1.00 0.00 C ATOM 765 CG GLU A 57 6.439 7.145 -7.819 1.00 0.00 C ATOM 766 CD GLU A 57 6.030 8.455 -8.495 1.00 0.00 C ATOM 767 OE1 GLU A 57 6.392 9.516 -7.942 1.00 0.00 O ATOM 768 OE2 GLU A 57 5.365 8.367 -9.549 1.00 0.00 O ATOM 0 H GLU A 57 8.173 7.025 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 57 5.847 8.844 -5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.743 5.901 -6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.623 7.170 -6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.512 7.151 -7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.241 6.308 -8.489 1.00 0.00 H new ATOM 775 N LEU A 58 4.513 7.107 -3.896 1.00 0.00 N ATOM 776 CA LEU A 58 3.958 6.635 -2.639 1.00 0.00 C ATOM 777 C LEU A 58 4.211 7.681 -1.551 1.00 0.00 C ATOM 778 O LEU A 58 5.309 8.227 -1.454 1.00 0.00 O ATOM 779 CB LEU A 58 4.504 5.248 -2.298 1.00 0.00 C ATOM 780 CG LEU A 58 3.466 4.199 -1.895 1.00 0.00 C ATOM 781 CD1 LEU A 58 4.124 2.837 -1.663 1.00 0.00 C ATOM 782 CD2 LEU A 58 2.663 4.662 -0.677 1.00 0.00 C ATOM 0 H LEU A 58 3.831 7.227 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 58 2.878 6.514 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.054 4.873 -3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.221 5.352 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 58 2.762 4.081 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.364 2.110 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.614 2.509 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.863 2.921 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.932 3.898 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.338 4.826 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.146 5.592 -0.914 1.00 0.00 H new ATOM 794 N ARG A 59 3.178 7.927 -0.760 1.00 0.00 N ATOM 795 CA ARG A 59 3.275 8.897 0.318 1.00 0.00 C ATOM 796 C ARG A 59 2.411 8.462 1.503 1.00 0.00 C ATOM 797 O ARG A 59 1.357 7.855 1.318 1.00 0.00 O ATOM 798 CB ARG A 59 2.828 10.285 -0.148 1.00 0.00 C ATOM 799 CG ARG A 59 3.687 10.774 -1.316 1.00 0.00 C ATOM 800 CD ARG A 59 3.739 12.302 -1.356 1.00 0.00 C ATOM 801 NE ARG A 59 5.055 12.751 -1.862 1.00 0.00 N ATOM 802 CZ ARG A 59 5.491 14.016 -1.803 1.00 0.00 C ATOM 803 NH1 ARG A 59 4.719 14.966 -1.259 1.00 0.00 N ATOM 804 NH2 ARG A 59 6.700 14.332 -2.288 1.00 0.00 N ATOM 0 H ARG A 59 2.269 7.472 -0.844 1.00 0.00 H new ATOM 0 HA ARG A 59 4.320 8.948 0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.781 10.251 -0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.898 10.991 0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.697 10.375 -1.222 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.281 10.396 -2.254 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.944 12.684 -1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.567 12.706 -0.358 1.00 0.00 H new ATOM 0 HE ARG A 59 5.669 12.053 -2.282 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.799 14.726 -0.890 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.051 15.929 -1.214 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.288 13.609 -2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.032 15.296 -2.243 1.00 0.00 H new ATOM 818 N ARG A 60 2.889 8.789 2.695 1.00 0.00 N ATOM 819 CA ARG A 60 2.173 8.440 3.910 1.00 0.00 C ATOM 820 C ARG A 60 0.768 9.044 3.891 1.00 0.00 C ATOM 821 O ARG A 60 0.552 10.140 4.407 1.00 0.00 O ATOM 822 CB ARG A 60 2.918 8.938 5.150 1.00 0.00 C ATOM 823 CG ARG A 60 2.122 8.644 6.423 1.00 0.00 C ATOM 824 CD ARG A 60 2.858 9.158 7.662 1.00 0.00 C ATOM 825 NE ARG A 60 1.891 9.433 8.748 1.00 0.00 N ATOM 826 CZ ARG A 60 2.228 9.932 9.945 1.00 0.00 C ATOM 827 NH1 ARG A 60 3.510 10.213 10.217 1.00 0.00 N ATOM 828 NH2 ARG A 60 1.283 10.149 10.870 1.00 0.00 N ATOM 0 H ARG A 60 3.764 9.292 2.845 1.00 0.00 H new ATOM 0 HA ARG A 60 2.104 7.353 3.953 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.895 8.458 5.209 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.094 10.010 5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.140 9.113 6.358 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.957 7.570 6.513 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.589 8.420 7.993 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.410 10.066 7.417 1.00 0.00 H new ATOM 0 HE ARG A 60 0.907 9.230 8.574 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.229 10.047 9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.767 10.593 11.128 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.308 9.934 10.663 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.539 10.529 11.781 1.00 0.00 H new ATOM 842 N GLY A 61 -0.152 8.304 3.290 1.00 0.00 N ATOM 843 CA GLY A 61 -1.531 8.753 3.197 1.00 0.00 C ATOM 844 C GLY A 61 -2.123 8.425 1.825 1.00 0.00 C ATOM 845 O GLY A 61 -2.798 9.258 1.221 1.00 0.00 O ATOM 0 H GLY A 61 0.031 7.396 2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.126 8.277 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.580 9.828 3.370 1.00 0.00 H new ATOM 849 N ASP A 62 -1.848 7.211 1.372 1.00 0.00 N ATOM 850 CA ASP A 62 -2.344 6.763 0.082 1.00 0.00 C ATOM 851 C ASP A 62 -3.157 5.481 0.270 1.00 0.00 C ATOM 852 O ASP A 62 -2.672 4.515 0.859 1.00 0.00 O ATOM 853 CB ASP A 62 -1.192 6.456 -0.876 1.00 0.00 C ATOM 854 CG ASP A 62 -1.189 7.274 -2.169 1.00 0.00 C ATOM 855 OD1 ASP A 62 -0.689 8.419 -2.115 1.00 0.00 O ATOM 856 OD2 ASP A 62 -1.688 6.737 -3.181 1.00 0.00 O ATOM 0 H ASP A 62 -1.288 6.523 1.876 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.958 7.560 -0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.250 6.627 -0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.226 5.397 -1.134 1.00 0.00 H new ATOM 861 N ARG A 63 -4.379 5.512 -0.240 1.00 0.00 N ATOM 862 CA ARG A 63 -5.263 4.364 -0.135 1.00 0.00 C ATOM 863 C ARG A 63 -4.833 3.271 -1.116 1.00 0.00 C ATOM 864 O ARG A 63 -4.924 3.450 -2.329 1.00 0.00 O ATOM 865 CB ARG A 63 -6.713 4.757 -0.425 1.00 0.00 C ATOM 866 CG ARG A 63 -7.668 3.603 -0.110 1.00 0.00 C ATOM 867 CD ARG A 63 -9.042 3.842 -0.739 1.00 0.00 C ATOM 868 NE ARG A 63 -9.632 2.554 -1.168 1.00 0.00 N ATOM 869 CZ ARG A 63 -10.913 2.399 -1.531 1.00 0.00 C ATOM 870 NH1 ARG A 63 -11.745 3.449 -1.518 1.00 0.00 N ATOM 871 NH2 ARG A 63 -11.361 1.193 -1.906 1.00 0.00 N ATOM 0 H ARG A 63 -4.778 6.314 -0.727 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.197 3.988 0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.983 5.630 0.170 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.814 5.042 -1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.250 2.668 -0.484 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.772 3.496 0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.700 4.332 -0.021 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.948 4.512 -1.594 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.026 1.734 -1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.404 4.367 -1.232 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.720 3.331 -1.794 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.727 0.394 -1.915 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.336 1.074 -2.182 1.00 0.00 H new ATOM 885 N ILE A 64 -4.374 2.163 -0.553 1.00 0.00 N ATOM 886 CA ILE A 64 -3.930 1.041 -1.362 1.00 0.00 C ATOM 887 C ILE A 64 -5.135 0.420 -2.071 1.00 0.00 C ATOM 888 O ILE A 64 -6.004 -0.166 -1.428 1.00 0.00 O ATOM 889 CB ILE A 64 -3.137 0.047 -0.511 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.999 0.748 0.234 1.00 0.00 C ATOM 891 CG2 ILE A 64 -2.632 -1.122 -1.360 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.950 1.281 -0.744 1.00 0.00 C ATOM 0 H ILE A 64 -4.300 2.018 0.454 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.243 1.379 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.807 -0.368 0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.400 1.570 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.532 0.051 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.072 -1.813 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.481 -1.642 -1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.984 -0.744 -2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.152 1.775 -0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.534 0.453 -1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.415 1.996 -1.423 1.00 0.00 H new ATOM 904 N LEU A 65 -5.148 0.569 -3.388 1.00 0.00 N ATOM 905 CA LEU A 65 -6.232 0.030 -4.191 1.00 0.00 C ATOM 906 C LEU A 65 -5.996 -1.464 -4.422 1.00 0.00 C ATOM 907 O LEU A 65 -6.885 -2.280 -4.187 1.00 0.00 O ATOM 908 CB LEU A 65 -6.394 0.834 -5.482 1.00 0.00 C ATOM 909 CG LEU A 65 -7.170 2.147 -5.362 1.00 0.00 C ATOM 910 CD1 LEU A 65 -8.636 1.887 -5.012 1.00 0.00 C ATOM 911 CD2 LEU A 65 -6.500 3.091 -4.361 1.00 0.00 C ATOM 0 H LEU A 65 -4.425 1.055 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.181 0.125 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.402 1.056 -5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.895 0.205 -6.218 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.154 2.643 -6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.165 2.837 -4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.094 1.280 -5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.695 1.358 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.072 4.017 -4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.464 2.616 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.486 3.314 -4.694 1.00 0.00 H new ATOM 923 N SER A 66 -4.793 -1.776 -4.880 1.00 0.00 N ATOM 924 CA SER A 66 -4.428 -3.157 -5.146 1.00 0.00 C ATOM 925 C SER A 66 -2.909 -3.321 -5.071 1.00 0.00 C ATOM 926 O SER A 66 -2.176 -2.334 -5.011 1.00 0.00 O ATOM 927 CB SER A 66 -4.944 -3.610 -6.513 1.00 0.00 C ATOM 928 OG SER A 66 -4.568 -2.708 -7.551 1.00 0.00 O ATOM 0 H SER A 66 -4.058 -1.096 -5.074 1.00 0.00 H new ATOM 0 HA SER A 66 -4.893 -3.785 -4.386 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.554 -4.603 -6.737 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.030 -3.694 -6.481 1.00 0.00 H new ATOM 0 HG SER A 66 -4.915 -3.033 -8.408 1.00 0.00 H new ATOM 934 N VAL A 67 -2.480 -4.575 -5.076 1.00 0.00 N ATOM 935 CA VAL A 67 -1.061 -4.880 -5.010 1.00 0.00 C ATOM 936 C VAL A 67 -0.698 -5.848 -6.139 1.00 0.00 C ATOM 937 O VAL A 67 -1.283 -6.925 -6.249 1.00 0.00 O ATOM 938 CB VAL A 67 -0.706 -5.420 -3.623 1.00 0.00 C ATOM 939 CG1 VAL A 67 -1.806 -6.346 -3.097 1.00 0.00 C ATOM 940 CG2 VAL A 67 0.647 -6.133 -3.641 1.00 0.00 C ATOM 0 H VAL A 67 -3.090 -5.391 -5.125 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.469 -3.976 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.628 -4.571 -2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.529 -6.716 -2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.744 -5.794 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.930 -7.188 -3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.875 -6.507 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.609 -6.968 -4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.423 -5.433 -3.952 1.00 0.00 H new ATOM 950 N ASN A 68 0.264 -5.429 -6.948 1.00 0.00 N ATOM 951 CA ASN A 68 0.711 -6.245 -8.064 1.00 0.00 C ATOM 952 C ASN A 68 -0.506 -6.730 -8.855 1.00 0.00 C ATOM 953 O ASN A 68 -0.429 -7.730 -9.566 1.00 0.00 O ATOM 954 CB ASN A 68 1.478 -7.475 -7.574 1.00 0.00 C ATOM 955 CG ASN A 68 2.848 -7.570 -8.248 1.00 0.00 C ATOM 956 OD1 ASN A 68 3.159 -6.853 -9.185 1.00 0.00 O ATOM 957 ND2 ASN A 68 3.647 -8.494 -7.721 1.00 0.00 N ATOM 0 H ASN A 68 0.746 -4.535 -6.853 1.00 0.00 H new ATOM 0 HA ASN A 68 1.366 -5.636 -8.687 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.603 -7.423 -6.492 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.901 -8.376 -7.785 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.583 -8.636 -8.101 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.324 -9.060 -6.937 1.00 0.00 H new ATOM 964 N GLY A 69 -1.600 -5.999 -8.704 1.00 0.00 N ATOM 965 CA GLY A 69 -2.831 -6.342 -9.395 1.00 0.00 C ATOM 966 C GLY A 69 -3.721 -7.229 -8.522 1.00 0.00 C ATOM 967 O GLY A 69 -4.298 -8.202 -9.005 1.00 0.00 O ATOM 0 H GLY A 69 -1.660 -5.170 -8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.368 -5.432 -9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.598 -6.859 -10.326 1.00 0.00 H new ATOM 971 N VAL A 70 -3.805 -6.860 -7.252 1.00 0.00 N ATOM 972 CA VAL A 70 -4.615 -7.610 -6.307 1.00 0.00 C ATOM 973 C VAL A 70 -5.735 -6.712 -5.777 1.00 0.00 C ATOM 974 O VAL A 70 -5.472 -5.717 -5.104 1.00 0.00 O ATOM 975 CB VAL A 70 -3.730 -8.181 -5.197 1.00 0.00 C ATOM 976 CG1 VAL A 70 -4.559 -8.989 -4.196 1.00 0.00 C ATOM 977 CG2 VAL A 70 -2.596 -9.026 -5.779 1.00 0.00 C ATOM 0 H VAL A 70 -3.326 -6.052 -6.856 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.086 -8.461 -6.799 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.282 -7.344 -4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.906 -9.384 -3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.314 -8.345 -3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.049 -9.815 -4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.983 -9.419 -4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.016 -9.853 -6.351 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.980 -8.408 -6.433 1.00 0.00 H new ATOM 987 N ASN A 71 -6.961 -7.096 -6.102 1.00 0.00 N ATOM 988 CA ASN A 71 -8.122 -6.338 -5.667 1.00 0.00 C ATOM 989 C ASN A 71 -8.256 -6.446 -4.147 1.00 0.00 C ATOM 990 O ASN A 71 -8.636 -7.494 -3.626 1.00 0.00 O ATOM 991 CB ASN A 71 -9.405 -6.887 -6.295 1.00 0.00 C ATOM 992 CG ASN A 71 -10.466 -5.792 -6.420 1.00 0.00 C ATOM 993 OD1 ASN A 71 -11.069 -5.362 -5.450 1.00 0.00 O ATOM 994 ND2 ASN A 71 -10.660 -5.367 -7.665 1.00 0.00 N ATOM 0 H ASN A 71 -7.175 -7.922 -6.661 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.984 -5.302 -5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.185 -7.299 -7.280 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.791 -7.705 -5.686 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.348 -4.638 -7.854 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.121 -5.770 -8.431 1.00 0.00 H new ATOM 1001 N LEU A 72 -7.936 -5.349 -3.477 1.00 0.00 N ATOM 1002 CA LEU A 72 -8.016 -5.307 -2.027 1.00 0.00 C ATOM 1003 C LEU A 72 -8.993 -4.207 -1.606 1.00 0.00 C ATOM 1004 O LEU A 72 -9.146 -3.929 -0.417 1.00 0.00 O ATOM 1005 CB LEU A 72 -6.621 -5.156 -1.417 1.00 0.00 C ATOM 1006 CG LEU A 72 -5.668 -6.335 -1.623 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -4.232 -5.949 -1.262 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -6.143 -7.566 -0.848 1.00 0.00 C ATOM 0 H LEU A 72 -7.621 -4.482 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.408 -6.248 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.158 -4.263 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.731 -4.986 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.674 -6.598 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.575 -6.805 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.907 -5.123 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.189 -5.644 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.448 -8.390 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.185 -7.332 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.135 -7.854 -1.195 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.629 -3.611 -2.604 1.00 0.00 N ATOM 1021 CA ARG A 73 -10.587 -2.548 -2.351 1.00 0.00 C ATOM 1022 C ARG A 73 -11.399 -2.853 -1.091 1.00 0.00 C ATOM 1023 O ARG A 73 -11.833 -1.940 -0.391 1.00 0.00 O ATOM 1024 CB ARG A 73 -11.541 -2.375 -3.535 1.00 0.00 C ATOM 1025 CG ARG A 73 -11.108 -1.206 -4.422 1.00 0.00 C ATOM 1026 CD ARG A 73 -12.003 -1.093 -5.657 1.00 0.00 C ATOM 1027 NE ARG A 73 -13.306 -0.496 -5.286 1.00 0.00 N ATOM 1028 CZ ARG A 73 -14.354 -0.404 -6.116 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -14.259 -0.870 -7.369 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -15.496 0.153 -5.693 1.00 0.00 N ATOM 0 H ARG A 73 -9.500 -3.844 -3.589 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.027 -1.623 -2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.566 -3.292 -4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.553 -2.203 -3.169 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.150 -0.278 -3.852 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.072 -1.344 -4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.515 -0.480 -6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.157 -2.079 -6.096 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.413 -0.132 -4.339 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.389 -1.295 -7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.057 -0.800 -8.001 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.568 0.507 -4.739 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.294 0.223 -6.325 1.00 0.00 H new ATOM 1044 N ASN A 74 -11.580 -4.142 -0.840 1.00 0.00 N ATOM 1045 CA ASN A 74 -12.333 -4.579 0.324 1.00 0.00 C ATOM 1046 C ASN A 74 -11.647 -5.800 0.940 1.00 0.00 C ATOM 1047 O ASN A 74 -12.193 -6.902 0.911 1.00 0.00 O ATOM 1048 CB ASN A 74 -13.758 -4.980 -0.060 1.00 0.00 C ATOM 1049 CG ASN A 74 -14.369 -3.970 -1.034 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -14.365 -2.717 -0.586 1.00 0.00 O flip ATOM 1051 ND2 ASN A 74 -14.813 -4.305 -2.119 1.00 0.00 N flip ATOM 0 H ASN A 74 -11.218 -4.897 -1.422 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.371 -3.751 1.032 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.751 -5.970 -0.515 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.375 -5.045 0.836 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.785 -5.285 -2.401 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.213 -3.605 -2.745 1.00 0.00 H new ATOM 1058 N ALA A 75 -10.462 -5.563 1.482 1.00 0.00 N ATOM 1059 CA ALA A 75 -9.697 -6.630 2.103 1.00 0.00 C ATOM 1060 C ALA A 75 -9.249 -6.186 3.497 1.00 0.00 C ATOM 1061 O ALA A 75 -9.158 -4.990 3.772 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.517 -7.003 1.204 1.00 0.00 C ATOM 0 H ALA A 75 -10.013 -4.647 1.504 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.311 -7.523 2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.943 -7.804 1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.889 -7.339 0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.877 -6.132 1.064 1.00 0.00 H new ATOM 1068 N THR A 76 -8.982 -7.172 4.341 1.00 0.00 N ATOM 1069 CA THR A 76 -8.546 -6.898 5.699 1.00 0.00 C ATOM 1070 C THR A 76 -7.069 -6.500 5.716 1.00 0.00 C ATOM 1071 O THR A 76 -6.389 -6.580 4.693 1.00 0.00 O ATOM 1072 CB THR A 76 -8.852 -8.131 6.552 1.00 0.00 C ATOM 1073 OG1 THR A 76 -8.421 -9.225 5.748 1.00 0.00 O ATOM 1074 CG2 THR A 76 -10.354 -8.365 6.725 1.00 0.00 C ATOM 0 H THR A 76 -9.059 -8.162 4.110 1.00 0.00 H new ATOM 0 HA THR A 76 -9.084 -6.050 6.122 1.00 0.00 H new ATOM 0 HB THR A 76 -8.387 -8.019 7.531 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.581 -10.065 6.226 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.516 -9.252 7.338 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.803 -7.500 7.213 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.815 -8.510 5.748 1.00 0.00 H new ATOM 1082 N HIS A 77 -6.615 -6.079 6.887 1.00 0.00 N ATOM 1083 CA HIS A 77 -5.231 -5.668 7.050 1.00 0.00 C ATOM 1084 C HIS A 77 -4.304 -6.811 6.630 1.00 0.00 C ATOM 1085 O HIS A 77 -3.450 -6.636 5.763 1.00 0.00 O ATOM 1086 CB HIS A 77 -4.971 -5.188 8.479 1.00 0.00 C ATOM 1087 CG HIS A 77 -3.725 -4.348 8.628 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -3.298 -3.850 9.846 1.00 0.00 N ATOM 1089 CD2 HIS A 77 -2.820 -3.925 7.700 1.00 0.00 C ATOM 1090 CE1 HIS A 77 -2.185 -3.158 9.649 1.00 0.00 C ATOM 1091 NE2 HIS A 77 -1.891 -3.206 8.318 1.00 0.00 N ATOM 0 H HIS A 77 -7.181 -6.014 7.733 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.021 -4.818 6.400 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.830 -4.609 8.819 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.892 -6.056 9.134 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -3.761 -3.991 10.744 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -2.853 -4.139 6.642 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.612 -2.646 10.408 1.00 0.00 H new ATOM 1099 N GLU A 78 -4.503 -7.956 7.267 1.00 0.00 N ATOM 1100 CA GLU A 78 -3.696 -9.127 6.971 1.00 0.00 C ATOM 1101 C GLU A 78 -3.657 -9.378 5.462 1.00 0.00 C ATOM 1102 O GLU A 78 -2.585 -9.398 4.859 1.00 0.00 O ATOM 1103 CB GLU A 78 -4.218 -10.356 7.718 1.00 0.00 C ATOM 1104 CG GLU A 78 -3.070 -11.127 8.374 1.00 0.00 C ATOM 1105 CD GLU A 78 -3.575 -12.424 9.009 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -4.064 -13.280 8.241 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -3.459 -12.531 10.249 1.00 0.00 O ATOM 0 H GLU A 78 -5.212 -8.097 7.987 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.679 -8.939 7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.935 -10.046 8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.750 -11.008 7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.308 -11.355 7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.597 -10.505 9.134 1.00 0.00 H new ATOM 1114 N GLN A 79 -4.840 -9.563 4.895 1.00 0.00 N ATOM 1115 CA GLN A 79 -4.956 -9.811 3.468 1.00 0.00 C ATOM 1116 C GLN A 79 -4.110 -8.806 2.684 1.00 0.00 C ATOM 1117 O GLN A 79 -3.469 -9.164 1.697 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.418 -9.766 3.020 1.00 0.00 C ATOM 1119 CG GLN A 79 -7.156 -11.043 3.425 1.00 0.00 C ATOM 1120 CD GLN A 79 -8.622 -10.991 2.991 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -8.999 -10.283 2.072 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -9.425 -11.778 3.701 1.00 0.00 N ATOM 0 H GLN A 79 -5.727 -9.546 5.398 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.579 -10.813 3.261 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.911 -8.901 3.463 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.467 -9.641 1.938 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.670 -11.907 2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.097 -11.174 4.506 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.044 -12.346 4.458 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.422 -11.814 3.489 1.00 0.00 H new ATOM 1131 N ALA A 80 -4.137 -7.567 3.152 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.381 -6.507 2.507 1.00 0.00 C ATOM 1133 C ALA A 80 -1.885 -6.770 2.689 1.00 0.00 C ATOM 1134 O ALA A 80 -1.087 -6.484 1.797 1.00 0.00 O ATOM 1135 CB ALA A 80 -3.809 -5.153 3.079 1.00 0.00 C ATOM 0 H ALA A 80 -4.671 -7.273 3.970 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.585 -6.488 1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.242 -4.358 2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.873 -5.002 2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.617 -5.134 4.152 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.549 -7.312 3.850 1.00 0.00 N ATOM 1142 CA ALA A 81 -0.162 -7.617 4.161 1.00 0.00 C ATOM 1143 C ALA A 81 0.261 -8.874 3.400 1.00 0.00 C ATOM 1144 O ALA A 81 1.268 -8.867 2.693 1.00 0.00 O ATOM 1145 CB ALA A 81 0.001 -7.768 5.675 1.00 0.00 C ATOM 0 H ALA A 81 -2.213 -7.548 4.587 1.00 0.00 H new ATOM 0 HA ALA A 81 0.491 -6.804 3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.041 -7.997 5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.285 -6.838 6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.637 -8.577 6.031 1.00 0.00 H new ATOM 1151 N ALA A 82 -0.528 -9.925 3.570 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.247 -11.187 2.909 1.00 0.00 C ATOM 1153 C ALA A 82 -0.028 -10.938 1.415 1.00 0.00 C ATOM 1154 O ALA A 82 0.615 -11.737 0.736 1.00 0.00 O ATOM 1155 CB ALA A 82 -1.391 -12.168 3.174 1.00 0.00 C ATOM 0 H ALA A 82 -1.362 -9.928 4.157 1.00 0.00 H new ATOM 0 HA ALA A 82 0.665 -11.633 3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.180 -13.115 2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.487 -12.334 4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.322 -11.755 2.786 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.574 -9.825 0.947 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.446 -9.460 -0.453 1.00 0.00 C ATOM 1163 C ALA A 83 0.974 -8.954 -0.716 1.00 0.00 C ATOM 1164 O ALA A 83 1.513 -9.144 -1.805 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.511 -8.420 -0.809 1.00 0.00 C ATOM 0 H ALA A 83 -1.106 -9.164 1.513 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.611 -10.327 -1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.415 -8.146 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.502 -8.839 -0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.376 -7.534 -0.189 1.00 0.00 H new ATOM 1171 N LEU A 84 1.539 -8.319 0.300 1.00 0.00 N ATOM 1172 CA LEU A 84 2.886 -7.785 0.192 1.00 0.00 C ATOM 1173 C LEU A 84 3.896 -8.897 0.478 1.00 0.00 C ATOM 1174 O LEU A 84 5.078 -8.764 0.163 1.00 0.00 O ATOM 1175 CB LEU A 84 3.050 -6.559 1.094 1.00 0.00 C ATOM 1176 CG LEU A 84 2.485 -5.246 0.550 1.00 0.00 C ATOM 1177 CD1 LEU A 84 2.796 -5.091 -0.941 1.00 0.00 C ATOM 1178 CD2 LEU A 84 0.987 -5.131 0.838 1.00 0.00 C ATOM 0 H LEU A 84 1.089 -8.162 1.202 1.00 0.00 H new ATOM 0 HA LEU A 84 3.076 -7.435 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.571 -6.769 2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.112 -6.419 1.294 1.00 0.00 H new ATOM 0 HG LEU A 84 2.976 -4.423 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.383 -4.149 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.876 -5.095 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.351 -5.918 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.611 -4.188 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.461 -5.960 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.820 -5.163 1.915 1.00 0.00 H new ATOM 1190 N LYS A 85 3.395 -9.971 1.071 1.00 0.00 N ATOM 1191 CA LYS A 85 4.238 -11.106 1.402 1.00 0.00 C ATOM 1192 C LYS A 85 4.240 -12.093 0.234 1.00 0.00 C ATOM 1193 O LYS A 85 5.187 -12.860 0.065 1.00 0.00 O ATOM 1194 CB LYS A 85 3.803 -11.727 2.731 1.00 0.00 C ATOM 1195 CG LYS A 85 4.400 -10.963 3.915 1.00 0.00 C ATOM 1196 CD LYS A 85 3.301 -10.313 4.758 1.00 0.00 C ATOM 1197 CE LYS A 85 3.797 -9.016 5.400 1.00 0.00 C ATOM 1198 NZ LYS A 85 3.834 -9.147 6.873 1.00 0.00 N ATOM 0 H LYS A 85 2.415 -10.078 1.331 1.00 0.00 H new ATOM 0 HA LYS A 85 5.269 -10.784 1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.715 -11.721 2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.119 -12.770 2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.984 -11.644 4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.085 -10.197 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.433 -10.104 4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.975 -11.006 5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.792 -8.775 5.025 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.143 -8.191 5.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.173 -8.258 7.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.878 -9.355 7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.477 -9.921 7.137 1.00 0.00 H new ATOM 1212 N ARG A 86 3.168 -12.042 -0.544 1.00 0.00 N ATOM 1213 CA ARG A 86 3.034 -12.922 -1.692 1.00 0.00 C ATOM 1214 C ARG A 86 3.681 -12.288 -2.925 1.00 0.00 C ATOM 1215 O ARG A 86 3.825 -12.939 -3.959 1.00 0.00 O ATOM 1216 CB ARG A 86 1.563 -13.217 -1.991 1.00 0.00 C ATOM 1217 CG ARG A 86 0.923 -12.071 -2.778 1.00 0.00 C ATOM 1218 CD ARG A 86 -0.450 -12.476 -3.318 1.00 0.00 C ATOM 1219 NE ARG A 86 -0.540 -12.161 -4.761 1.00 0.00 N ATOM 1220 CZ ARG A 86 0.011 -12.908 -5.728 1.00 0.00 C ATOM 1221 NH1 ARG A 86 0.694 -14.016 -5.412 1.00 0.00 N ATOM 1222 NH2 ARG A 86 -0.121 -12.545 -7.011 1.00 0.00 N ATOM 0 H ARG A 86 2.384 -11.405 -0.401 1.00 0.00 H new ATOM 0 HA ARG A 86 3.539 -13.858 -1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.482 -14.143 -2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.022 -13.369 -1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.821 -11.196 -2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.573 -11.785 -3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.612 -13.542 -3.159 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.234 -11.950 -2.773 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.053 -11.324 -5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.795 -14.292 -4.435 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.113 -14.584 -6.148 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.640 -11.701 -7.251 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.298 -13.113 -7.747 1.00 0.00 H new ATOM 1236 N ALA A 87 4.054 -11.025 -2.776 1.00 0.00 N ATOM 1237 CA ALA A 87 4.682 -10.296 -3.864 1.00 0.00 C ATOM 1238 C ALA A 87 6.109 -10.812 -4.062 1.00 0.00 C ATOM 1239 O ALA A 87 6.356 -12.014 -3.972 1.00 0.00 O ATOM 1240 CB ALA A 87 4.641 -8.796 -3.565 1.00 0.00 C ATOM 0 H ALA A 87 3.933 -10.488 -1.917 1.00 0.00 H new ATOM 0 HA ALA A 87 4.141 -10.458 -4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.112 -8.249 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.605 -8.474 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.177 -8.595 -2.637 1.00 0.00 H new ATOM 1246 N GLY A 88 7.010 -9.879 -4.327 1.00 0.00 N ATOM 1247 CA GLY A 88 8.406 -10.224 -4.537 1.00 0.00 C ATOM 1248 C GLY A 88 9.280 -8.969 -4.585 1.00 0.00 C ATOM 1249 O GLY A 88 9.175 -8.102 -3.719 1.00 0.00 O ATOM 0 H GLY A 88 6.801 -8.883 -4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.747 -10.879 -3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.511 -10.780 -5.469 1.00 0.00 H new ATOM 1253 N GLN A 89 10.123 -8.913 -5.605 1.00 0.00 N ATOM 1254 CA GLN A 89 11.015 -7.778 -5.777 1.00 0.00 C ATOM 1255 C GLN A 89 10.285 -6.631 -6.478 1.00 0.00 C ATOM 1256 O GLN A 89 10.280 -5.503 -5.989 1.00 0.00 O ATOM 1257 CB GLN A 89 12.273 -8.182 -6.550 1.00 0.00 C ATOM 1258 CG GLN A 89 13.490 -8.240 -5.624 1.00 0.00 C ATOM 1259 CD GLN A 89 14.720 -8.763 -6.368 1.00 0.00 C ATOM 1260 OE1 GLN A 89 14.865 -8.604 -7.569 1.00 0.00 O ATOM 1261 NE2 GLN A 89 15.596 -9.393 -5.591 1.00 0.00 N ATOM 0 H GLN A 89 10.208 -9.635 -6.321 1.00 0.00 H new ATOM 0 HA GLN A 89 11.329 -7.434 -4.791 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.120 -9.155 -7.017 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.456 -7.468 -7.353 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.696 -7.246 -5.226 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.274 -8.886 -4.773 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.413 -9.492 -4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.451 -9.778 -5.994 1.00 0.00 H new ATOM 1270 N SER A 90 9.687 -6.959 -7.614 1.00 0.00 N ATOM 1271 CA SER A 90 8.957 -5.969 -8.388 1.00 0.00 C ATOM 1272 C SER A 90 7.461 -6.066 -8.081 1.00 0.00 C ATOM 1273 O SER A 90 6.752 -6.874 -8.680 1.00 0.00 O ATOM 1274 CB SER A 90 9.204 -6.150 -9.887 1.00 0.00 C ATOM 1275 OG SER A 90 10.086 -7.236 -10.156 1.00 0.00 O ATOM 0 H SER A 90 9.693 -7.896 -8.017 1.00 0.00 H new ATOM 0 HA SER A 90 9.317 -4.980 -8.105 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.254 -6.321 -10.393 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.623 -5.232 -10.299 1.00 0.00 H new ATOM 0 HG SER A 90 10.217 -7.319 -11.124 1.00 0.00 H new ATOM 1281 N VAL A 91 7.025 -5.231 -7.149 1.00 0.00 N ATOM 1282 CA VAL A 91 5.626 -5.213 -6.756 1.00 0.00 C ATOM 1283 C VAL A 91 5.000 -3.883 -7.179 1.00 0.00 C ATOM 1284 O VAL A 91 5.596 -2.824 -6.991 1.00 0.00 O ATOM 1285 CB VAL A 91 5.501 -5.482 -5.255 1.00 0.00 C ATOM 1286 CG1 VAL A 91 4.058 -5.822 -4.878 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.459 -6.590 -4.815 1.00 0.00 C ATOM 0 H VAL A 91 7.616 -4.562 -6.655 1.00 0.00 H new ATOM 0 HA VAL A 91 5.076 -6.007 -7.262 1.00 0.00 H new ATOM 0 HB VAL A 91 5.779 -4.570 -4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.996 -6.009 -3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.407 -4.987 -5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.740 -6.713 -5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.350 -6.761 -3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.226 -7.508 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.485 -6.292 -5.032 1.00 0.00 H new ATOM 1297 N THR A 92 3.805 -3.981 -7.743 1.00 0.00 N ATOM 1298 CA THR A 92 3.091 -2.799 -8.195 1.00 0.00 C ATOM 1299 C THR A 92 1.976 -2.440 -7.210 1.00 0.00 C ATOM 1300 O THR A 92 0.903 -3.040 -7.237 1.00 0.00 O ATOM 1301 CB THR A 92 2.585 -3.065 -9.614 1.00 0.00 C ATOM 1302 OG1 THR A 92 3.743 -3.507 -10.318 1.00 0.00 O ATOM 1303 CG2 THR A 92 2.175 -1.782 -10.340 1.00 0.00 C ATOM 0 H THR A 92 3.313 -4.861 -7.897 1.00 0.00 H new ATOM 0 HA THR A 92 3.747 -1.929 -8.226 1.00 0.00 H new ATOM 0 HB THR A 92 1.735 -3.747 -9.574 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.505 -3.704 -11.248 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.824 -2.027 -11.342 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.376 -1.290 -9.786 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.033 -1.113 -10.410 1.00 0.00 H new ATOM 1311 N ILE A 93 2.270 -1.464 -6.364 1.00 0.00 N ATOM 1312 CA ILE A 93 1.306 -1.018 -5.372 1.00 0.00 C ATOM 1313 C ILE A 93 0.515 0.166 -5.932 1.00 0.00 C ATOM 1314 O ILE A 93 1.051 1.264 -6.072 1.00 0.00 O ATOM 1315 CB ILE A 93 2.004 -0.719 -4.043 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.627 -1.986 -3.454 1.00 0.00 C ATOM 1317 CG2 ILE A 93 1.046 -0.042 -3.061 1.00 0.00 C ATOM 1318 CD1 ILE A 93 4.068 -2.163 -3.937 1.00 0.00 C ATOM 0 H ILE A 93 3.162 -0.969 -6.345 1.00 0.00 H new ATOM 0 HA ILE A 93 0.587 -1.809 -5.157 1.00 0.00 H new ATOM 0 HB ILE A 93 2.817 -0.019 -4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.608 -1.933 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.034 -2.854 -3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.567 0.160 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.690 0.896 -3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.197 -0.698 -2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.488 -3.071 -3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.080 -2.240 -5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.664 -1.304 -3.627 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.747 -0.097 -6.236 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.617 0.933 -6.777 1.00 0.00 C ATOM 1332 C VAL A 94 -2.391 1.593 -5.634 1.00 0.00 C ATOM 1333 O VAL A 94 -3.371 1.037 -5.141 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.529 0.337 -7.851 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -3.266 1.438 -8.617 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -1.739 -0.561 -8.805 1.00 0.00 C ATOM 0 H VAL A 94 -1.188 -1.009 -6.118 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.030 1.712 -7.264 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.275 -0.281 -7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.907 0.987 -9.374 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.875 2.018 -7.924 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.541 2.094 -9.099 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.411 -0.972 -9.558 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.960 0.024 -9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.282 -1.376 -8.243 1.00 0.00 H new ATOM 1346 N ALA A 95 -1.922 2.770 -5.246 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.558 3.511 -4.171 1.00 0.00 C ATOM 1348 C ALA A 95 -2.849 4.937 -4.643 1.00 0.00 C ATOM 1349 O ALA A 95 -2.105 5.492 -5.450 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.663 3.479 -2.930 1.00 0.00 C ATOM 0 H ALA A 95 -1.109 3.228 -5.657 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.509 3.053 -3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.140 4.035 -2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.510 2.446 -2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.700 3.933 -3.164 1.00 0.00 H new ATOM 1356 N GLN A 96 -3.933 5.490 -4.118 1.00 0.00 N ATOM 1357 CA GLN A 96 -4.331 6.841 -4.476 1.00 0.00 C ATOM 1358 C GLN A 96 -4.165 7.778 -3.278 1.00 0.00 C ATOM 1359 O GLN A 96 -4.673 7.500 -2.193 1.00 0.00 O ATOM 1360 CB GLN A 96 -5.769 6.868 -4.999 1.00 0.00 C ATOM 1361 CG GLN A 96 -6.769 6.993 -3.847 1.00 0.00 C ATOM 1362 CD GLN A 96 -8.203 7.084 -4.373 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -8.970 7.960 -4.010 1.00 0.00 O ATOM 1364 NE2 GLN A 96 -8.519 6.132 -5.246 1.00 0.00 N ATOM 0 H GLN A 96 -4.547 5.027 -3.448 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.681 7.190 -5.278 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.894 7.705 -5.686 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.971 5.958 -5.564 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.675 6.133 -3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.538 7.879 -3.255 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.828 5.429 -5.506 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.453 6.105 -5.656 1.00 0.00 H new ATOM 1373 N TYR A 97 -3.453 8.870 -3.516 1.00 0.00 N ATOM 1374 CA TYR A 97 -3.214 9.850 -2.470 1.00 0.00 C ATOM 1375 C TYR A 97 -4.532 10.410 -1.932 1.00 0.00 C ATOM 1376 O TYR A 97 -5.081 11.360 -2.489 1.00 0.00 O ATOM 1377 CB TYR A 97 -2.422 10.982 -3.126 1.00 0.00 C ATOM 1378 CG TYR A 97 -1.557 11.783 -2.151 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -1.887 11.826 -0.811 1.00 0.00 C ATOM 1380 CD2 TYR A 97 -0.448 12.464 -2.610 1.00 0.00 C ATOM 1381 CE1 TYR A 97 -1.073 12.580 0.107 1.00 0.00 C ATOM 1382 CE2 TYR A 97 0.366 13.217 -1.692 1.00 0.00 C ATOM 1383 CZ TYR A 97 0.014 13.238 -0.379 1.00 0.00 C ATOM 1384 OH TYR A 97 0.782 13.950 0.488 1.00 0.00 O ATOM 0 H TYR A 97 -3.034 9.098 -4.418 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.681 9.397 -1.634 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.782 10.562 -3.902 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -3.118 11.660 -3.619 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.755 11.294 -0.451 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.191 12.432 -3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.320 12.622 1.158 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.237 13.753 -2.039 1.00 0.00 H new ATOM 0 HH TYR A 97 1.524 14.366 0.002 1.00 0.00 H new ATOM 1394 N ARG A 98 -5.003 9.799 -0.855 1.00 0.00 N ATOM 1395 CA ARG A 98 -6.246 10.225 -0.235 1.00 0.00 C ATOM 1396 C ARG A 98 -6.037 10.472 1.260 1.00 0.00 C ATOM 1397 O ARG A 98 -6.296 9.593 2.081 1.00 0.00 O ATOM 1398 CB ARG A 98 -7.343 9.175 -0.423 1.00 0.00 C ATOM 1399 CG ARG A 98 -8.724 9.767 -0.132 1.00 0.00 C ATOM 1400 CD ARG A 98 -9.630 9.676 -1.361 1.00 0.00 C ATOM 1401 NE ARG A 98 -10.220 11.001 -1.654 1.00 0.00 N ATOM 1402 CZ ARG A 98 -10.796 11.325 -2.820 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -10.862 10.423 -3.808 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -11.305 12.552 -2.997 1.00 0.00 N ATOM 0 H ARG A 98 -4.546 9.012 -0.396 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.557 11.151 -0.719 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.315 8.793 -1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.159 8.329 0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.183 9.236 0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.620 10.809 0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.058 9.326 -2.220 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.421 8.947 -1.187 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.186 11.712 -0.923 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.474 9.489 -3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.300 10.670 -4.695 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.254 13.239 -2.245 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.743 12.799 -3.884 1.00 0.00 H new ATOM 1418 N PRO A 99 -5.558 11.705 1.578 1.00 0.00 N ATOM 1419 CA PRO A 99 -5.310 12.079 2.960 1.00 0.00 C ATOM 1420 C PRO A 99 -6.623 12.362 3.694 1.00 0.00 C ATOM 1421 O PRO A 99 -6.708 12.189 4.909 1.00 0.00 O ATOM 1422 CB PRO A 99 -4.400 13.293 2.882 1.00 0.00 C ATOM 1423 CG PRO A 99 -4.546 13.834 1.469 1.00 0.00 C ATOM 1424 CD PRO A 99 -5.240 12.771 0.632 1.00 0.00 C ATOM 0 HA PRO A 99 -4.839 11.281 3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.686 14.043 3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.366 13.020 3.091 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -5.126 14.757 1.472 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -3.569 14.073 1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.141 13.164 0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -4.592 12.411 -0.168 1.00 0.00 H new ATOM 1432 N GLU A 100 -7.613 12.792 2.926 1.00 0.00 N ATOM 1433 CA GLU A 100 -8.916 13.101 3.488 1.00 0.00 C ATOM 1434 C GLU A 100 -9.478 11.884 4.226 1.00 0.00 C ATOM 1435 O GLU A 100 -10.148 12.028 5.248 1.00 0.00 O ATOM 1436 CB GLU A 100 -9.883 13.578 2.402 1.00 0.00 C ATOM 1437 CG GLU A 100 -9.275 14.724 1.592 1.00 0.00 C ATOM 1438 CD GLU A 100 -10.281 15.863 1.413 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -10.785 16.343 2.451 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -10.522 16.228 0.242 1.00 0.00 O ATOM 0 H GLU A 100 -7.539 12.934 1.919 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.797 13.914 4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.128 12.749 1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.816 13.906 2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.383 15.097 2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.959 14.356 0.616 1.00 0.00 H new ATOM 1447 N GLU A 101 -9.183 10.713 3.680 1.00 0.00 N ATOM 1448 CA GLU A 101 -9.650 9.472 4.274 1.00 0.00 C ATOM 1449 C GLU A 101 -8.691 9.016 5.375 1.00 0.00 C ATOM 1450 O GLU A 101 -9.119 8.692 6.482 1.00 0.00 O ATOM 1451 CB GLU A 101 -9.820 8.385 3.210 1.00 0.00 C ATOM 1452 CG GLU A 101 -11.108 8.596 2.412 1.00 0.00 C ATOM 1453 CD GLU A 101 -12.291 7.899 3.086 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -12.043 6.863 3.739 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -13.418 8.419 2.932 1.00 0.00 O ATOM 0 H GLU A 101 -8.627 10.598 2.833 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.627 9.652 4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.964 8.395 2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.839 7.405 3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.313 9.663 2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.981 8.209 1.401 1.00 0.00 H new ATOM 1462 N TYR A 102 -7.411 9.007 5.034 1.00 0.00 N ATOM 1463 CA TYR A 102 -6.387 8.596 5.980 1.00 0.00 C ATOM 1464 C TYR A 102 -6.453 9.436 7.257 1.00 0.00 C ATOM 1465 O TYR A 102 -5.893 9.054 8.284 1.00 0.00 O ATOM 1466 CB TYR A 102 -5.047 8.849 5.286 1.00 0.00 C ATOM 1467 CG TYR A 102 -3.828 8.468 6.130 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.620 7.151 6.485 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -2.938 9.441 6.535 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.473 6.792 7.278 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -1.791 9.082 7.329 1.00 0.00 C ATOM 1472 CZ TYR A 102 -1.615 7.775 7.661 1.00 0.00 C ATOM 1473 OH TYR A 102 -0.532 7.436 8.411 1.00 0.00 O ATOM 0 H TYR A 102 -7.059 9.278 4.116 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.521 7.552 6.262 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.021 8.286 4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.979 9.905 5.023 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.317 6.390 6.168 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -3.101 10.472 6.257 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.298 5.765 7.562 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.087 9.834 7.653 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.566 7.910 9.268 1.00 0.00 H new ATOM 1483 N SER A 103 -7.141 10.563 7.152 1.00 0.00 N ATOM 1484 CA SER A 103 -7.288 11.459 8.286 1.00 0.00 C ATOM 1485 C SER A 103 -7.614 10.657 9.548 1.00 0.00 C ATOM 1486 O SER A 103 -6.966 10.826 10.580 1.00 0.00 O ATOM 1487 CB SER A 103 -8.374 12.504 8.026 1.00 0.00 C ATOM 1488 OG SER A 103 -8.563 13.368 9.143 1.00 0.00 O ATOM 0 H SER A 103 -7.603 10.876 6.298 1.00 0.00 H new ATOM 0 HA SER A 103 -6.344 11.984 8.431 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.105 13.096 7.151 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.313 12.001 7.794 1.00 0.00 H new ATOM 0 HG SER A 103 -9.263 14.022 8.936 1.00 0.00 H new ATOM 1494 N ARG A 104 -8.619 9.803 9.424 1.00 0.00 N ATOM 1495 CA ARG A 104 -9.040 8.975 10.541 1.00 0.00 C ATOM 1496 C ARG A 104 -7.823 8.348 11.225 1.00 0.00 C ATOM 1497 O ARG A 104 -7.644 8.490 12.434 1.00 0.00 O ATOM 1498 CB ARG A 104 -9.985 7.864 10.079 1.00 0.00 C ATOM 1499 CG ARG A 104 -11.254 8.448 9.454 1.00 0.00 C ATOM 1500 CD ARG A 104 -11.649 7.677 8.193 1.00 0.00 C ATOM 1501 NE ARG A 104 -13.020 8.051 7.781 1.00 0.00 N ATOM 1502 CZ ARG A 104 -14.131 7.657 8.420 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -14.038 6.875 9.504 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -15.333 8.045 7.974 1.00 0.00 N ATOM 0 H ARG A 104 -9.154 9.667 8.567 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.569 9.615 11.247 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.477 7.228 9.354 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.250 7.232 10.926 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.069 8.412 10.177 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.092 9.497 9.207 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.946 7.895 7.389 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.596 6.605 8.381 1.00 0.00 H new ATOM 0 HE ARG A 104 -13.127 8.646 6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.122 6.580 9.843 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.883 6.575 9.990 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -15.403 8.640 7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -16.178 7.745 8.460 1.00 0.00 H new ATOM 1518 N PHE A 105 -7.018 7.668 10.422 1.00 0.00 N ATOM 1519 CA PHE A 105 -5.823 7.019 10.934 1.00 0.00 C ATOM 1520 C PHE A 105 -4.817 8.051 11.450 1.00 0.00 C ATOM 1521 O PHE A 105 -4.207 7.856 12.500 1.00 0.00 O ATOM 1522 CB PHE A 105 -5.196 6.252 9.768 1.00 0.00 C ATOM 1523 CG PHE A 105 -6.088 5.146 9.200 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -6.604 4.197 10.026 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -6.364 5.112 7.869 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -7.431 3.171 9.499 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -7.192 4.086 7.341 1.00 0.00 C ATOM 1528 CZ PHE A 105 -7.708 3.137 8.167 1.00 0.00 C ATOM 0 H PHE A 105 -7.170 7.552 9.420 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.083 6.359 11.762 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.955 6.956 8.971 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.256 5.812 10.100 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.384 4.224 11.083 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.953 5.865 7.213 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.841 2.417 10.155 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.412 4.060 6.284 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.338 2.356 7.766 1.00 0.00 H new