USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 548 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 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 167 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 124 TYR OH : rot 68:sc= 1.02 USER MOD Set 2.2: A 128 TYR OH : rot 30:sc= 0.883 USER MOD Set 2.3: A 165 GLN : amide:sc= -0.126 X(o=0.87,f=1.1) USER MOD Set 2.4: A 168 HIS : no HD1:sc= -0.912 K(o=0.87,f=-4!) USER MOD Set 3.1: A 119 HIS :FLIP no HD1:sc= -0.282 F(o=-4!,f=-1.7) USER MOD Set 3.2: A 120 HIS : no HE2:sc= -1.78! C(o=-1.7!,f=-11!) USER MOD Set 3.3: A 171 ASN : amide:sc= 0.565 K(o=-1.7,f=-3) USER MOD Set 3.4: A 173 HIS : no HD1:sc= -0.248 K(o=-1.7,f=-3.3) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -163:sc= 1.23 (180deg=1.1) USER MOD Single : A 127 GLN : amide:sc= 0.202 X(o=0.2,f=-0.23) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= -1.91! USER MOD Single : A 156 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.11) USER MOD Single : A 158 SER OG : rot -122:sc= 0.384 USER MOD Single : A 161 LYS NZ :NH3+ 132:sc= 0.526 (180deg=-1.72!) USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= -1.98! C(o=-2!,f=-7.9!) USER MOD Single : A 175 CYS SG : rot -43:sc= 0.559 USER MOD Single : A 179 LYS NZ :NH3+ 159:sc= 1.22 (180deg=1.13) USER MOD Single : A 182 SER OG : rot 180:sc= 0.017 USER MOD Single : A 183 LYS NZ :NH3+ 173:sc=-0.00286 (180deg=-0.0625) USER MOD Single : A 184 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 MET CE :methyl -154:sc= -0.219 (180deg=-0.939) USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 104 20.879 -13.764 5.206 1.00 22.14 N ATOM 137 CA VAL A 104 19.693 -14.014 4.409 1.00 5.42 C ATOM 138 C VAL A 104 20.081 -14.189 2.949 1.00 10.22 C ATOM 139 O VAL A 104 21.097 -13.661 2.501 1.00 61.52 O ATOM 140 CB VAL A 104 18.645 -12.878 4.535 1.00 51.22 C ATOM 141 CG1 VAL A 104 18.361 -12.555 5.991 1.00 2.21 C ATOM 142 CG2 VAL A 104 19.082 -11.627 3.793 1.00 54.00 C ATOM 0 HA VAL A 104 19.234 -14.927 4.790 1.00 5.42 H new ATOM 0 HB VAL A 104 17.725 -13.238 4.074 1.00 51.22 H new ATOM 0 HG11 VAL A 104 17.623 -11.755 6.049 1.00 2.21 H new ATOM 0 HG12 VAL A 104 17.974 -13.443 6.492 1.00 2.21 H new ATOM 0 HG13 VAL A 104 19.282 -12.235 6.479 1.00 2.21 H new ATOM 0 HG21 VAL A 104 18.322 -10.854 3.905 1.00 54.00 H new ATOM 0 HG22 VAL A 104 20.026 -11.270 4.205 1.00 54.00 H new ATOM 0 HG23 VAL A 104 19.212 -11.858 2.736 1.00 54.00 H new ATOM 152 N LYS A 105 19.283 -14.942 2.218 1.00 2.35 N ATOM 153 CA LYS A 105 19.515 -15.148 0.799 1.00 73.53 C ATOM 154 C LYS A 105 18.340 -14.607 0.012 1.00 13.04 C ATOM 155 O LYS A 105 18.099 -14.990 -1.127 1.00 31.13 O ATOM 156 CB LYS A 105 19.741 -16.631 0.510 1.00 22.23 C ATOM 157 CG LYS A 105 21.174 -17.071 0.757 1.00 31.31 C ATOM 158 CD LYS A 105 21.248 -18.487 1.299 1.00 61.23 C ATOM 159 CE LYS A 105 20.674 -18.563 2.704 1.00 51.40 C ATOM 160 NZ LYS A 105 20.857 -19.907 3.309 1.00 51.52 N ATOM 0 H LYS A 105 18.463 -15.425 2.585 1.00 2.35 H new ATOM 0 HA LYS A 105 20.413 -14.611 0.494 1.00 73.53 H new ATOM 0 HB2 LYS A 105 19.072 -17.223 1.134 1.00 22.23 H new ATOM 0 HB3 LYS A 105 19.477 -16.838 -0.527 1.00 22.23 H new ATOM 0 HG2 LYS A 105 21.738 -17.009 -0.174 1.00 31.31 H new ATOM 0 HG3 LYS A 105 21.647 -16.388 1.462 1.00 31.31 H new ATOM 0 HD2 LYS A 105 20.699 -19.161 0.641 1.00 61.23 H new ATOM 0 HD3 LYS A 105 22.285 -18.823 1.307 1.00 61.23 H new ATOM 0 HE2 LYS A 105 21.155 -17.814 3.333 1.00 51.40 H new ATOM 0 HE3 LYS A 105 19.612 -18.320 2.675 1.00 51.40 H new ATOM 0 HZ1 LYS A 105 20.451 -19.915 4.267 1.00 51.52 H new ATOM 0 HZ2 LYS A 105 20.376 -20.620 2.724 1.00 51.52 H new ATOM 0 HZ3 LYS A 105 21.872 -20.129 3.361 1.00 51.52 H new ATOM 174 N LYS A 106 17.628 -13.691 0.640 1.00 65.54 N ATOM 175 CA LYS A 106 16.474 -13.057 0.039 1.00 20.23 C ATOM 176 C LYS A 106 16.332 -11.648 0.586 1.00 3.42 C ATOM 177 O LYS A 106 16.377 -11.436 1.800 1.00 33.30 O ATOM 178 CB LYS A 106 15.221 -13.885 0.325 1.00 62.45 C ATOM 179 CG LYS A 106 13.923 -13.249 -0.145 1.00 50.01 C ATOM 180 CD LYS A 106 12.892 -14.313 -0.468 1.00 63.14 C ATOM 181 CE LYS A 106 11.476 -13.770 -0.444 1.00 40.33 C ATOM 182 NZ LYS A 106 10.471 -14.840 -0.657 1.00 42.14 N ATOM 0 H LYS A 106 17.836 -13.366 1.584 1.00 65.54 H new ATOM 0 HA LYS A 106 16.604 -12.999 -1.042 1.00 20.23 H new ATOM 0 HB2 LYS A 106 15.328 -14.859 -0.153 1.00 62.45 H new ATOM 0 HB3 LYS A 106 15.156 -14.063 1.398 1.00 62.45 H new ATOM 0 HG2 LYS A 106 13.537 -12.584 0.628 1.00 50.01 H new ATOM 0 HG3 LYS A 106 14.110 -12.637 -1.027 1.00 50.01 H new ATOM 0 HD2 LYS A 106 13.101 -14.731 -1.452 1.00 63.14 H new ATOM 0 HD3 LYS A 106 12.978 -15.129 0.250 1.00 63.14 H new ATOM 0 HE2 LYS A 106 11.290 -13.282 0.513 1.00 40.33 H new ATOM 0 HE3 LYS A 106 11.366 -13.009 -1.216 1.00 40.33 H new ATOM 0 HZ1 LYS A 106 9.560 -14.413 -0.920 1.00 42.14 H new ATOM 0 HZ2 LYS A 106 10.791 -15.470 -1.420 1.00 42.14 H new ATOM 0 HZ3 LYS A 106 10.356 -15.388 0.219 1.00 42.14 H new ATOM 196 N ILE A 107 16.192 -10.688 -0.305 1.00 5.10 N ATOM 197 CA ILE A 107 16.100 -9.297 0.098 1.00 52.01 C ATOM 198 C ILE A 107 14.674 -8.777 -0.036 1.00 75.02 C ATOM 199 O ILE A 107 13.841 -9.376 -0.721 1.00 62.20 O ATOM 200 CB ILE A 107 17.025 -8.403 -0.735 1.00 11.10 C ATOM 201 CG1 ILE A 107 16.567 -8.380 -2.182 1.00 2.05 C ATOM 202 CG2 ILE A 107 18.462 -8.884 -0.648 1.00 13.52 C ATOM 203 CD1 ILE A 107 16.954 -7.112 -2.879 1.00 24.21 C ATOM 0 H ILE A 107 16.139 -10.843 -1.312 1.00 5.10 H new ATOM 0 HA ILE A 107 16.409 -9.258 1.143 1.00 52.01 H new ATOM 0 HB ILE A 107 16.978 -7.391 -0.332 1.00 11.10 H new ATOM 0 HG12 ILE A 107 16.999 -9.230 -2.711 1.00 2.05 H new ATOM 0 HG13 ILE A 107 15.484 -8.497 -2.220 1.00 2.05 H new ATOM 0 HG21 ILE A 107 19.100 -8.234 -1.247 1.00 13.52 H new ATOM 0 HG22 ILE A 107 18.792 -8.859 0.391 1.00 13.52 H new ATOM 0 HG23 ILE A 107 18.528 -9.905 -1.025 1.00 13.52 H new ATOM 0 HD11 ILE A 107 16.605 -7.143 -3.911 1.00 24.21 H new ATOM 0 HD12 ILE A 107 16.501 -6.263 -2.368 1.00 24.21 H new ATOM 0 HD13 ILE A 107 18.039 -7.006 -2.866 1.00 24.21 H new ATOM 215 N PHE A 108 14.411 -7.659 0.620 1.00 75.23 N ATOM 216 CA PHE A 108 13.114 -7.008 0.554 1.00 12.10 C ATOM 217 C PHE A 108 13.233 -5.716 -0.235 1.00 73.02 C ATOM 218 O PHE A 108 13.981 -4.819 0.148 1.00 13.32 O ATOM 219 CB PHE A 108 12.587 -6.718 1.963 1.00 45.45 C ATOM 220 CG PHE A 108 11.385 -5.815 1.987 1.00 2.33 C ATOM 221 CD1 PHE A 108 10.149 -6.268 1.558 1.00 53.20 C ATOM 222 CD2 PHE A 108 11.494 -4.509 2.441 1.00 34.45 C ATOM 223 CE1 PHE A 108 9.045 -5.440 1.580 1.00 53.43 C ATOM 224 CE2 PHE A 108 10.393 -3.675 2.466 1.00 62.54 C ATOM 225 CZ PHE A 108 9.168 -4.140 2.035 1.00 73.45 C ATOM 0 H PHE A 108 15.089 -7.178 1.212 1.00 75.23 H new ATOM 0 HA PHE A 108 12.410 -7.673 0.054 1.00 12.10 H new ATOM 0 HB2 PHE A 108 12.331 -7.661 2.446 1.00 45.45 H new ATOM 0 HB3 PHE A 108 13.383 -6.263 2.552 1.00 45.45 H new ATOM 0 HD1 PHE A 108 10.047 -7.282 1.202 1.00 53.20 H new ATOM 0 HD2 PHE A 108 12.451 -4.140 2.779 1.00 34.45 H new ATOM 0 HE1 PHE A 108 8.087 -5.807 1.242 1.00 53.43 H new ATOM 0 HE2 PHE A 108 10.491 -2.660 2.823 1.00 62.54 H new ATOM 0 HZ PHE A 108 8.306 -3.490 2.053 1.00 73.45 H new ATOM 235 N VAL A 109 12.511 -5.628 -1.339 1.00 34.24 N ATOM 236 CA VAL A 109 12.548 -4.437 -2.165 1.00 22.30 C ATOM 237 C VAL A 109 11.309 -3.585 -1.938 1.00 50.02 C ATOM 238 O VAL A 109 10.220 -3.912 -2.415 1.00 5.41 O ATOM 239 CB VAL A 109 12.655 -4.775 -3.663 1.00 10.14 C ATOM 240 CG1 VAL A 109 12.829 -3.504 -4.479 1.00 65.22 C ATOM 241 CG2 VAL A 109 13.800 -5.742 -3.919 1.00 4.45 C ATOM 0 H VAL A 109 11.895 -6.365 -1.682 1.00 34.24 H new ATOM 0 HA VAL A 109 13.439 -3.881 -1.871 1.00 22.30 H new ATOM 0 HB VAL A 109 11.730 -5.261 -3.974 1.00 10.14 H new ATOM 0 HG11 VAL A 109 12.903 -3.758 -5.536 1.00 65.22 H new ATOM 0 HG12 VAL A 109 11.971 -2.851 -4.322 1.00 65.22 H new ATOM 0 HG13 VAL A 109 13.738 -2.991 -4.164 1.00 65.22 H new ATOM 0 HG21 VAL A 109 13.856 -5.966 -4.984 1.00 4.45 H new ATOM 0 HG22 VAL A 109 14.737 -5.291 -3.594 1.00 4.45 H new ATOM 0 HG23 VAL A 109 13.629 -6.664 -3.363 1.00 4.45 H new ATOM 251 N GLY A 110 11.481 -2.512 -1.190 1.00 30.23 N ATOM 252 CA GLY A 110 10.411 -1.568 -0.984 1.00 23.42 C ATOM 253 C GLY A 110 10.796 -0.198 -1.491 1.00 34.22 C ATOM 254 O GLY A 110 11.788 -0.057 -2.205 1.00 4.24 O ATOM 0 H GLY A 110 12.353 -2.276 -0.717 1.00 30.23 H new ATOM 0 HA2 GLY A 110 9.513 -1.912 -1.498 1.00 23.42 H new ATOM 0 HA3 GLY A 110 10.169 -1.513 0.077 1.00 23.42 H new ATOM 347 N GLU A 117 9.277 -4.906 -11.437 1.00 35.23 N ATOM 348 CA GLU A 117 9.038 -6.326 -11.629 1.00 3.31 C ATOM 349 C GLU A 117 10.340 -7.119 -11.632 1.00 33.43 C ATOM 350 O GLU A 117 11.416 -6.570 -11.391 1.00 24.10 O ATOM 351 CB GLU A 117 8.270 -6.547 -12.929 1.00 51.24 C ATOM 352 CG GLU A 117 9.071 -6.257 -14.178 1.00 31.33 C ATOM 353 CD GLU A 117 8.203 -6.227 -15.413 1.00 62.44 C ATOM 354 OE1 GLU A 117 8.126 -7.257 -16.113 1.00 2.11 O ATOM 355 OE2 GLU A 117 7.574 -5.178 -15.676 1.00 4.02 O ATOM 0 HA GLU A 117 8.441 -6.688 -10.792 1.00 3.31 H new ATOM 0 HB2 GLU A 117 7.926 -7.581 -12.963 1.00 51.24 H new ATOM 0 HB3 GLU A 117 7.382 -5.915 -12.925 1.00 51.24 H new ATOM 0 HG2 GLU A 117 9.579 -5.299 -14.069 1.00 31.33 H new ATOM 0 HG3 GLU A 117 9.844 -7.016 -14.297 1.00 31.33 H new ATOM 362 N GLU A 118 10.221 -8.412 -11.925 1.00 61.32 N ATOM 363 CA GLU A 118 11.341 -9.343 -11.870 1.00 63.11 C ATOM 364 C GLU A 118 12.531 -8.862 -12.692 1.00 11.14 C ATOM 365 O GLU A 118 13.659 -8.830 -12.193 1.00 1.22 O ATOM 366 CB GLU A 118 10.888 -10.728 -12.344 1.00 64.54 C ATOM 367 CG GLU A 118 12.034 -11.656 -12.718 1.00 32.35 C ATOM 368 CD GLU A 118 11.578 -12.892 -13.459 1.00 55.55 C ATOM 369 OE1 GLU A 118 11.724 -12.932 -14.697 1.00 11.54 O ATOM 370 OE2 GLU A 118 11.087 -13.835 -12.809 1.00 32.55 O ATOM 0 H GLU A 118 9.341 -8.843 -12.208 1.00 61.32 H new ATOM 0 HA GLU A 118 11.672 -9.402 -10.833 1.00 63.11 H new ATOM 0 HB2 GLU A 118 10.297 -11.196 -11.557 1.00 64.54 H new ATOM 0 HB3 GLU A 118 10.233 -10.610 -13.207 1.00 64.54 H new ATOM 0 HG2 GLU A 118 12.748 -11.111 -13.336 1.00 32.35 H new ATOM 0 HG3 GLU A 118 12.561 -11.956 -11.812 1.00 32.35 H new ATOM 377 N HIS A 119 12.283 -8.479 -13.938 1.00 41.40 N ATOM 378 CA HIS A 119 13.361 -8.074 -14.829 1.00 21.25 C ATOM 379 C HIS A 119 14.061 -6.822 -14.296 1.00 2.04 C ATOM 380 O HIS A 119 15.265 -6.652 -14.488 1.00 22.55 O ATOM 381 CB HIS A 119 12.838 -7.863 -16.263 1.00 42.30 C ATOM 382 CG HIS A 119 12.487 -6.450 -16.626 1.00 24.35 C ATOM 383 ND1 HIS A 119 11.333 -5.767 -16.446 1.00 2.53 N flip ATOM 384 CD2 HIS A 119 13.392 -5.640 -17.266 1.00 0.12 C flip ATOM 385 CE1 HIS A 119 11.523 -4.521 -16.984 1.00 0.32 C flip ATOM 386 NE2 HIS A 119 12.773 -4.491 -17.462 1.00 15.54 N flip ATOM 0 H HIS A 119 11.351 -8.441 -14.352 1.00 41.40 H new ATOM 0 HA HIS A 119 14.098 -8.876 -14.864 1.00 21.25 H new ATOM 0 HB2 HIS A 119 13.594 -8.221 -16.962 1.00 42.30 H new ATOM 0 HB3 HIS A 119 11.954 -8.485 -16.403 1.00 42.30 H new ATOM 0 HD2 HIS A 119 14.403 -5.891 -17.551 1.00 0.12 H new ATOM 0 HE1 HIS A 119 10.802 -3.717 -17.016 1.00 0.32 H new ATOM 0 HE2 HIS A 119 13.194 -3.682 -17.920 1.00 15.54 H new ATOM 394 N HIS A 120 13.307 -5.968 -13.609 1.00 73.41 N ATOM 395 CA HIS A 120 13.862 -4.755 -13.023 1.00 65.12 C ATOM 396 C HIS A 120 14.833 -5.104 -11.900 1.00 14.00 C ATOM 397 O HIS A 120 16.001 -4.715 -11.933 1.00 4.45 O ATOM 398 CB HIS A 120 12.756 -3.850 -12.469 1.00 61.14 C ATOM 399 CG HIS A 120 11.891 -3.209 -13.510 1.00 71.42 C ATOM 400 ND1 HIS A 120 10.534 -3.427 -13.542 1.00 13.23 N ATOM 401 CD2 HIS A 120 12.224 -2.348 -14.501 1.00 10.22 C ATOM 402 CE1 HIS A 120 10.073 -2.698 -14.543 1.00 24.34 C ATOM 403 NE2 HIS A 120 11.060 -2.028 -15.152 1.00 11.04 N ATOM 0 H HIS A 120 12.308 -6.096 -13.445 1.00 73.41 H new ATOM 0 HA HIS A 120 14.391 -4.221 -13.812 1.00 65.12 H new ATOM 0 HB2 HIS A 120 12.124 -4.438 -11.803 1.00 61.14 H new ATOM 0 HB3 HIS A 120 13.215 -3.067 -11.865 1.00 61.14 H new ATOM 0 HD1 HIS A 120 9.994 -4.028 -12.920 1.00 13.23 H new ATOM 0 HD2 HIS A 120 13.214 -1.984 -14.733 1.00 10.22 H new ATOM 0 HE1 HIS A 120 9.034 -2.649 -14.833 1.00 24.34 H new ATOM 411 N LEU A 121 14.343 -5.849 -10.911 1.00 60.02 N ATOM 412 CA LEU A 121 15.165 -6.220 -9.764 1.00 11.12 C ATOM 413 C LEU A 121 16.368 -7.044 -10.201 1.00 0.31 C ATOM 414 O LEU A 121 17.503 -6.745 -9.830 1.00 52.54 O ATOM 415 CB LEU A 121 14.360 -7.005 -8.715 1.00 42.32 C ATOM 416 CG LEU A 121 13.363 -6.195 -7.872 1.00 52.21 C ATOM 417 CD1 LEU A 121 13.764 -4.730 -7.806 1.00 11.44 C ATOM 418 CD2 LEU A 121 11.945 -6.349 -8.399 1.00 14.15 C ATOM 0 H LEU A 121 13.388 -6.205 -10.881 1.00 60.02 H new ATOM 0 HA LEU A 121 15.510 -5.292 -9.309 1.00 11.12 H new ATOM 0 HB2 LEU A 121 13.811 -7.796 -9.227 1.00 42.32 H new ATOM 0 HB3 LEU A 121 15.063 -7.491 -8.039 1.00 42.32 H new ATOM 0 HG LEU A 121 13.387 -6.594 -6.858 1.00 52.21 H new ATOM 0 HD11 LEU A 121 13.040 -4.181 -7.203 1.00 11.44 H new ATOM 0 HD12 LEU A 121 14.752 -4.643 -7.355 1.00 11.44 H new ATOM 0 HD13 LEU A 121 13.787 -4.313 -8.813 1.00 11.44 H new ATOM 0 HD21 LEU A 121 11.262 -5.765 -7.782 1.00 14.15 H new ATOM 0 HD22 LEU A 121 11.899 -5.994 -9.428 1.00 14.15 H new ATOM 0 HD23 LEU A 121 11.656 -7.399 -8.365 1.00 14.15 H new ATOM 430 N ARG A 122 16.117 -8.069 -11.002 1.00 0.11 N ATOM 431 CA ARG A 122 17.174 -8.970 -11.439 1.00 62.21 C ATOM 432 C ARG A 122 18.276 -8.213 -12.170 1.00 13.14 C ATOM 433 O ARG A 122 19.448 -8.417 -11.888 1.00 75.44 O ATOM 434 CB ARG A 122 16.601 -10.079 -12.325 1.00 52.54 C ATOM 435 CG ARG A 122 17.658 -10.973 -12.959 1.00 34.04 C ATOM 436 CD ARG A 122 17.505 -12.421 -12.521 1.00 25.32 C ATOM 437 NE ARG A 122 16.199 -12.965 -12.887 1.00 22.14 N ATOM 438 CZ ARG A 122 15.760 -14.172 -12.533 1.00 73.40 C ATOM 439 NH1 ARG A 122 16.546 -15.008 -11.864 1.00 24.54 N ATOM 440 NH2 ARG A 122 14.541 -14.558 -12.882 1.00 51.54 N ATOM 0 H ARG A 122 15.191 -8.298 -11.363 1.00 0.11 H new ATOM 0 HA ARG A 122 17.615 -9.427 -10.553 1.00 62.21 H new ATOM 0 HB2 ARG A 122 15.929 -10.696 -11.729 1.00 52.54 H new ATOM 0 HB3 ARG A 122 16.002 -9.626 -13.115 1.00 52.54 H new ATOM 0 HG2 ARG A 122 17.583 -10.911 -14.045 1.00 34.04 H new ATOM 0 HG3 ARG A 122 18.650 -10.613 -12.687 1.00 34.04 H new ATOM 0 HD2 ARG A 122 18.290 -13.023 -12.978 1.00 25.32 H new ATOM 0 HD3 ARG A 122 17.638 -12.490 -11.441 1.00 25.32 H new ATOM 0 HE ARG A 122 15.582 -12.381 -13.452 1.00 22.14 H new ATOM 0 HH11 ARG A 122 17.495 -14.728 -11.617 1.00 24.54 H new ATOM 0 HH12 ARG A 122 16.200 -15.930 -11.598 1.00 24.54 H new ATOM 0 HH21 ARG A 122 13.942 -13.932 -13.420 1.00 51.54 H new ATOM 0 HH22 ARG A 122 14.202 -15.481 -12.613 1.00 51.54 H new ATOM 454 N ASP A 123 17.893 -7.319 -13.076 1.00 21.02 N ATOM 455 CA ASP A 123 18.861 -6.555 -13.868 1.00 41.32 C ATOM 456 C ASP A 123 19.827 -5.784 -12.975 1.00 12.13 C ATOM 457 O ASP A 123 21.018 -5.678 -13.269 1.00 52.30 O ATOM 458 CB ASP A 123 18.137 -5.581 -14.801 1.00 52.31 C ATOM 459 CG ASP A 123 19.090 -4.692 -15.577 1.00 70.01 C ATOM 460 OD1 ASP A 123 19.830 -5.212 -16.441 1.00 1.04 O ATOM 461 OD2 ASP A 123 19.093 -3.467 -15.339 1.00 41.42 O ATOM 0 H ASP A 123 16.918 -7.103 -13.283 1.00 21.02 H new ATOM 0 HA ASP A 123 19.435 -7.267 -14.461 1.00 41.32 H new ATOM 0 HB2 ASP A 123 17.522 -6.146 -15.502 1.00 52.31 H new ATOM 0 HB3 ASP A 123 17.462 -4.958 -14.215 1.00 52.31 H new ATOM 466 N TYR A 124 19.318 -5.270 -11.870 1.00 41.34 N ATOM 467 CA TYR A 124 20.122 -4.451 -10.982 1.00 13.24 C ATOM 468 C TYR A 124 20.916 -5.313 -10.000 1.00 40.01 C ATOM 469 O TYR A 124 22.082 -5.036 -9.723 1.00 42.31 O ATOM 470 CB TYR A 124 19.235 -3.460 -10.222 1.00 75.21 C ATOM 471 CG TYR A 124 19.999 -2.568 -9.272 1.00 5.13 C ATOM 472 CD1 TYR A 124 19.928 -2.764 -7.901 1.00 40.03 C ATOM 473 CD2 TYR A 124 20.802 -1.538 -9.746 1.00 25.21 C ATOM 474 CE1 TYR A 124 20.634 -1.963 -7.027 1.00 63.53 C ATOM 475 CE2 TYR A 124 21.510 -0.730 -8.878 1.00 2.15 C ATOM 476 CZ TYR A 124 21.422 -0.948 -7.519 1.00 23.21 C ATOM 477 OH TYR A 124 22.134 -0.157 -6.647 1.00 60.25 O ATOM 0 H TYR A 124 18.354 -5.405 -11.567 1.00 41.34 H new ATOM 0 HA TYR A 124 20.833 -3.894 -11.592 1.00 13.24 H new ATOM 0 HB2 TYR A 124 18.701 -2.838 -10.941 1.00 75.21 H new ATOM 0 HB3 TYR A 124 18.483 -4.015 -9.661 1.00 75.21 H new ATOM 0 HD1 TYR A 124 19.309 -3.558 -7.510 1.00 40.03 H new ATOM 0 HD2 TYR A 124 20.874 -1.366 -10.810 1.00 25.21 H new ATOM 0 HE1 TYR A 124 20.568 -2.132 -5.962 1.00 63.53 H new ATOM 0 HE2 TYR A 124 22.129 0.068 -9.261 1.00 2.15 H new ATOM 0 HH TYR A 124 22.844 -0.688 -6.229 1.00 60.25 H new ATOM 487 N PHE A 125 20.298 -6.365 -9.494 1.00 71.35 N ATOM 488 CA PHE A 125 20.911 -7.160 -8.438 1.00 23.04 C ATOM 489 C PHE A 125 21.828 -8.253 -8.987 1.00 32.41 C ATOM 490 O PHE A 125 22.674 -8.779 -8.262 1.00 20.05 O ATOM 491 CB PHE A 125 19.830 -7.763 -7.540 1.00 2.35 C ATOM 492 CG PHE A 125 19.033 -6.725 -6.796 1.00 73.11 C ATOM 493 CD1 PHE A 125 17.650 -6.712 -6.861 1.00 33.54 C ATOM 494 CD2 PHE A 125 19.671 -5.753 -6.042 1.00 21.13 C ATOM 495 CE1 PHE A 125 16.919 -5.751 -6.191 1.00 73.24 C ATOM 496 CE2 PHE A 125 18.945 -4.791 -5.367 1.00 5.44 C ATOM 497 CZ PHE A 125 17.566 -4.790 -5.442 1.00 12.52 C ATOM 0 H PHE A 125 19.378 -6.690 -9.793 1.00 71.35 H new ATOM 0 HA PHE A 125 21.538 -6.491 -7.848 1.00 23.04 H new ATOM 0 HB2 PHE A 125 19.154 -8.364 -8.149 1.00 2.35 H new ATOM 0 HB3 PHE A 125 20.297 -8.437 -6.822 1.00 2.35 H new ATOM 0 HD1 PHE A 125 17.136 -7.463 -7.443 1.00 33.54 H new ATOM 0 HD2 PHE A 125 20.749 -5.748 -5.981 1.00 21.13 H new ATOM 0 HE1 PHE A 125 15.841 -5.752 -6.253 1.00 73.24 H new ATOM 0 HE2 PHE A 125 19.455 -4.041 -4.781 1.00 5.44 H new ATOM 0 HZ PHE A 125 16.996 -4.039 -4.916 1.00 12.52 H new ATOM 507 N GLU A 126 21.685 -8.582 -10.269 1.00 32.53 N ATOM 508 CA GLU A 126 22.522 -9.621 -10.878 1.00 22.14 C ATOM 509 C GLU A 126 23.973 -9.166 -10.956 1.00 54.11 C ATOM 510 O GLU A 126 24.894 -9.977 -11.043 1.00 72.34 O ATOM 511 CB GLU A 126 22.002 -10.003 -12.272 1.00 35.32 C ATOM 512 CG GLU A 126 22.053 -8.885 -13.308 1.00 63.33 C ATOM 513 CD GLU A 126 23.247 -9.003 -14.238 1.00 64.41 C ATOM 514 OE1 GLU A 126 24.264 -8.321 -14.007 1.00 63.31 O ATOM 515 OE2 GLU A 126 23.171 -9.793 -15.207 1.00 64.33 O ATOM 0 H GLU A 126 21.009 -8.153 -10.901 1.00 32.53 H new ATOM 0 HA GLU A 126 22.471 -10.506 -10.244 1.00 22.14 H new ATOM 0 HB2 GLU A 126 22.584 -10.847 -12.642 1.00 35.32 H new ATOM 0 HB3 GLU A 126 20.971 -10.344 -12.178 1.00 35.32 H new ATOM 0 HG2 GLU A 126 21.136 -8.899 -13.897 1.00 63.33 H new ATOM 0 HG3 GLU A 126 22.089 -7.923 -12.797 1.00 63.33 H new ATOM 522 N GLN A 127 24.159 -7.856 -10.913 1.00 65.44 N ATOM 523 CA GLN A 127 25.485 -7.254 -10.962 1.00 2.42 C ATOM 524 C GLN A 127 26.242 -7.529 -9.667 1.00 20.31 C ATOM 525 O GLN A 127 27.473 -7.526 -9.642 1.00 5.11 O ATOM 526 CB GLN A 127 25.360 -5.748 -11.176 1.00 14.13 C ATOM 527 CG GLN A 127 24.369 -5.374 -12.263 1.00 72.02 C ATOM 528 CD GLN A 127 24.137 -3.883 -12.346 1.00 40.02 C ATOM 529 OE1 GLN A 127 24.786 -3.179 -13.119 1.00 13.14 O ATOM 530 NE2 GLN A 127 23.234 -3.390 -11.519 1.00 53.13 N ATOM 0 H GLN A 127 23.398 -7.180 -10.843 1.00 65.44 H new ATOM 0 HA GLN A 127 26.039 -7.693 -11.792 1.00 2.42 H new ATOM 0 HB2 GLN A 127 25.055 -5.280 -10.240 1.00 14.13 H new ATOM 0 HB3 GLN A 127 26.339 -5.342 -11.432 1.00 14.13 H new ATOM 0 HG2 GLN A 127 24.735 -5.736 -13.224 1.00 72.02 H new ATOM 0 HG3 GLN A 127 23.420 -5.876 -12.074 1.00 72.02 H new ATOM 0 HE21 GLN A 127 22.720 -4.012 -10.896 1.00 53.13 H new ATOM 0 HE22 GLN A 127 23.051 -2.387 -11.503 1.00 53.13 H new ATOM 539 N TYR A 128 25.494 -7.762 -8.595 1.00 65.13 N ATOM 540 CA TYR A 128 26.082 -8.046 -7.294 1.00 51.01 C ATOM 541 C TYR A 128 26.442 -9.524 -7.192 1.00 74.30 C ATOM 542 O TYR A 128 27.414 -9.894 -6.531 1.00 33.13 O ATOM 543 CB TYR A 128 25.115 -7.657 -6.167 1.00 65.23 C ATOM 544 CG TYR A 128 24.803 -6.176 -6.103 1.00 13.40 C ATOM 545 CD1 TYR A 128 25.329 -5.394 -5.089 1.00 70.05 C ATOM 546 CD2 TYR A 128 23.975 -5.565 -7.041 1.00 70.32 C ATOM 547 CE1 TYR A 128 25.049 -4.048 -5.002 1.00 72.24 C ATOM 548 CE2 TYR A 128 23.691 -4.213 -6.967 1.00 22.10 C ATOM 549 CZ TYR A 128 24.231 -3.459 -5.944 1.00 62.32 C ATOM 550 OH TYR A 128 23.946 -2.115 -5.857 1.00 34.24 O ATOM 0 H TYR A 128 24.474 -7.759 -8.603 1.00 65.13 H new ATOM 0 HA TYR A 128 26.990 -7.453 -7.188 1.00 51.01 H new ATOM 0 HB2 TYR A 128 24.184 -8.208 -6.296 1.00 65.23 H new ATOM 0 HB3 TYR A 128 25.541 -7.969 -5.213 1.00 65.23 H new ATOM 0 HD1 TYR A 128 25.973 -5.849 -4.350 1.00 70.05 H new ATOM 0 HD2 TYR A 128 23.548 -6.155 -7.838 1.00 70.32 H new ATOM 0 HE1 TYR A 128 25.468 -3.457 -4.201 1.00 72.24 H new ATOM 0 HE2 TYR A 128 23.051 -3.751 -7.704 1.00 22.10 H new ATOM 0 HH TYR A 128 24.699 -1.647 -5.438 1.00 34.24 H new ATOM 560 N GLY A 129 25.656 -10.361 -7.858 1.00 33.24 N ATOM 561 CA GLY A 129 25.914 -11.786 -7.870 1.00 14.23 C ATOM 562 C GLY A 129 24.801 -12.536 -8.564 1.00 73.43 C ATOM 563 O GLY A 129 23.821 -11.923 -8.992 1.00 44.24 O ATOM 0 H GLY A 129 24.837 -10.073 -8.394 1.00 33.24 H new ATOM 0 HA2 GLY A 129 26.859 -11.983 -8.375 1.00 14.23 H new ATOM 0 HA3 GLY A 129 26.018 -12.148 -6.847 1.00 14.23 H new ATOM 567 N LYS A 130 24.938 -13.850 -8.683 1.00 20.34 N ATOM 568 CA LYS A 130 23.920 -14.648 -9.349 1.00 73.10 C ATOM 569 C LYS A 130 22.631 -14.653 -8.537 1.00 35.23 C ATOM 570 O LYS A 130 22.636 -14.826 -7.311 1.00 1.35 O ATOM 571 CB LYS A 130 24.393 -16.084 -9.601 1.00 64.13 C ATOM 572 CG LYS A 130 24.398 -16.967 -8.365 1.00 54.12 C ATOM 573 CD LYS A 130 24.723 -18.409 -8.715 1.00 24.53 C ATOM 574 CE LYS A 130 23.658 -19.016 -9.616 1.00 11.54 C ATOM 575 NZ LYS A 130 23.965 -20.426 -9.969 1.00 20.43 N ATOM 0 H LYS A 130 25.735 -14.380 -8.331 1.00 20.34 H new ATOM 0 HA LYS A 130 23.730 -14.188 -10.319 1.00 73.10 H new ATOM 0 HB2 LYS A 130 23.751 -16.539 -10.355 1.00 64.13 H new ATOM 0 HB3 LYS A 130 25.400 -16.055 -10.016 1.00 64.13 H new ATOM 0 HG2 LYS A 130 25.130 -16.591 -7.650 1.00 54.12 H new ATOM 0 HG3 LYS A 130 23.424 -16.920 -7.878 1.00 54.12 H new ATOM 0 HD2 LYS A 130 25.692 -18.455 -9.213 1.00 24.53 H new ATOM 0 HD3 LYS A 130 24.806 -18.997 -7.801 1.00 24.53 H new ATOM 0 HE2 LYS A 130 22.691 -18.970 -9.116 1.00 11.54 H new ATOM 0 HE3 LYS A 130 23.574 -18.424 -10.527 1.00 11.54 H new ATOM 0 HZ1 LYS A 130 23.215 -20.801 -10.584 1.00 20.43 H new ATOM 0 HZ2 LYS A 130 24.876 -20.468 -10.469 1.00 20.43 H new ATOM 0 HZ3 LYS A 130 24.020 -20.997 -9.102 1.00 20.43 H new ATOM 589 N ILE A 131 21.533 -14.441 -9.226 1.00 52.30 N ATOM 590 CA ILE A 131 20.233 -14.416 -8.591 1.00 14.24 C ATOM 591 C ILE A 131 19.516 -15.740 -8.797 1.00 5.12 C ATOM 592 O ILE A 131 19.614 -16.351 -9.859 1.00 12.23 O ATOM 593 CB ILE A 131 19.356 -13.279 -9.152 1.00 33.42 C ATOM 594 CG1 ILE A 131 20.084 -11.940 -9.043 1.00 24.21 C ATOM 595 CG2 ILE A 131 18.026 -13.219 -8.419 1.00 33.14 C ATOM 596 CD1 ILE A 131 19.280 -10.775 -9.568 1.00 31.11 C ATOM 0 H ILE A 131 21.514 -14.282 -10.233 1.00 52.30 H new ATOM 0 HA ILE A 131 20.394 -14.245 -7.527 1.00 14.24 H new ATOM 0 HB ILE A 131 19.161 -13.484 -10.205 1.00 33.42 H new ATOM 0 HG12 ILE A 131 20.336 -11.756 -7.999 1.00 24.21 H new ATOM 0 HG13 ILE A 131 21.024 -12.000 -9.592 1.00 24.21 H new ATOM 0 HG21 ILE A 131 17.421 -12.410 -8.829 1.00 33.14 H new ATOM 0 HG22 ILE A 131 17.499 -14.165 -8.543 1.00 33.14 H new ATOM 0 HG23 ILE A 131 18.203 -13.038 -7.359 1.00 33.14 H new ATOM 0 HD11 ILE A 131 19.857 -9.857 -9.460 1.00 31.11 H new ATOM 0 HD12 ILE A 131 19.050 -10.937 -10.621 1.00 31.11 H new ATOM 0 HD13 ILE A 131 18.352 -10.689 -9.003 1.00 31.11 H new ATOM 608 N GLU A 132 18.808 -16.182 -7.774 1.00 23.41 N ATOM 609 CA GLU A 132 17.985 -17.368 -7.877 1.00 13.23 C ATOM 610 C GLU A 132 16.681 -17.049 -8.596 1.00 4.42 C ATOM 611 O GLU A 132 16.486 -17.450 -9.745 1.00 13.12 O ATOM 612 CB GLU A 132 17.716 -17.939 -6.488 1.00 4.45 C ATOM 613 CG GLU A 132 18.839 -18.826 -5.994 1.00 51.42 C ATOM 614 CD GLU A 132 18.711 -20.239 -6.512 1.00 5.22 C ATOM 615 OE1 GLU A 132 18.336 -21.128 -5.725 1.00 70.31 O ATOM 616 OE2 GLU A 132 18.965 -20.461 -7.713 1.00 3.12 O ATOM 0 H GLU A 132 18.788 -15.733 -6.858 1.00 23.41 H new ATOM 0 HA GLU A 132 18.517 -18.119 -8.461 1.00 13.23 H new ATOM 0 HB2 GLU A 132 17.570 -17.119 -5.785 1.00 4.45 H new ATOM 0 HB3 GLU A 132 16.788 -18.511 -6.508 1.00 4.45 H new ATOM 0 HG2 GLU A 132 19.796 -18.409 -6.309 1.00 51.42 H new ATOM 0 HG3 GLU A 132 18.840 -18.838 -4.904 1.00 51.42 H new ATOM 623 N VAL A 133 15.808 -16.302 -7.933 1.00 11.22 N ATOM 624 CA VAL A 133 14.519 -15.924 -8.502 1.00 21.12 C ATOM 625 C VAL A 133 14.088 -14.559 -7.993 1.00 23.11 C ATOM 626 O VAL A 133 14.543 -14.107 -6.940 1.00 22.12 O ATOM 627 CB VAL A 133 13.405 -16.946 -8.169 1.00 23.32 C ATOM 628 CG1 VAL A 133 13.605 -18.240 -8.936 1.00 0.13 C ATOM 629 CG2 VAL A 133 13.346 -17.212 -6.672 1.00 4.11 C ATOM 0 H VAL A 133 15.971 -15.943 -6.992 1.00 11.22 H new ATOM 0 HA VAL A 133 14.657 -15.900 -9.583 1.00 21.12 H new ATOM 0 HB VAL A 133 12.452 -16.515 -8.478 1.00 23.32 H new ATOM 0 HG11 VAL A 133 12.808 -18.940 -8.683 1.00 0.13 H new ATOM 0 HG12 VAL A 133 13.582 -18.036 -10.006 1.00 0.13 H new ATOM 0 HG13 VAL A 133 14.568 -18.675 -8.670 1.00 0.13 H new ATOM 0 HG21 VAL A 133 12.556 -17.933 -6.461 1.00 4.11 H new ATOM 0 HG22 VAL A 133 14.302 -17.613 -6.336 1.00 4.11 H new ATOM 0 HG23 VAL A 133 13.137 -16.281 -6.145 1.00 4.11 H new ATOM 639 N ILE A 134 13.224 -13.902 -8.748 1.00 61.11 N ATOM 640 CA ILE A 134 12.636 -12.648 -8.315 1.00 23.35 C ATOM 641 C ILE A 134 11.171 -12.881 -8.014 1.00 34.44 C ATOM 642 O ILE A 134 10.370 -13.109 -8.921 1.00 24.14 O ATOM 643 CB ILE A 134 12.753 -11.531 -9.370 1.00 71.41 C ATOM 644 CG1 ILE A 134 14.138 -11.517 -10.020 1.00 12.23 C ATOM 645 CG2 ILE A 134 12.463 -10.181 -8.726 1.00 1.50 C ATOM 646 CD1 ILE A 134 15.259 -11.231 -9.059 1.00 11.32 C ATOM 0 H ILE A 134 12.914 -14.218 -9.667 1.00 61.11 H new ATOM 0 HA ILE A 134 13.184 -12.318 -7.432 1.00 23.35 H new ATOM 0 HB ILE A 134 12.020 -11.726 -10.153 1.00 71.41 H new ATOM 0 HG12 ILE A 134 14.316 -12.482 -10.494 1.00 12.23 H new ATOM 0 HG13 ILE A 134 14.150 -10.767 -10.811 1.00 12.23 H new ATOM 0 HG21 ILE A 134 12.547 -9.395 -9.476 1.00 1.50 H new ATOM 0 HG22 ILE A 134 11.454 -10.184 -8.314 1.00 1.50 H new ATOM 0 HG23 ILE A 134 13.181 -9.998 -7.926 1.00 1.50 H new ATOM 0 HD11 ILE A 134 16.208 -11.238 -9.595 1.00 11.32 H new ATOM 0 HD12 ILE A 134 15.107 -10.253 -8.603 1.00 11.32 H new ATOM 0 HD13 ILE A 134 15.275 -11.995 -8.282 1.00 11.32 H new ATOM 658 N GLU A 135 10.820 -12.848 -6.747 1.00 22.24 N ATOM 659 CA GLU A 135 9.467 -13.156 -6.345 1.00 13.14 C ATOM 660 C GLU A 135 8.649 -11.883 -6.209 1.00 24.23 C ATOM 661 O GLU A 135 8.702 -11.196 -5.187 1.00 63.21 O ATOM 662 CB GLU A 135 9.463 -13.964 -5.047 1.00 14.33 C ATOM 663 CG GLU A 135 10.276 -15.247 -5.147 1.00 74.13 C ATOM 664 CD GLU A 135 10.050 -16.184 -3.982 1.00 53.01 C ATOM 665 OE1 GLU A 135 10.740 -16.045 -2.953 1.00 63.51 O ATOM 666 OE2 GLU A 135 9.181 -17.074 -4.096 1.00 71.40 O ATOM 0 H GLU A 135 11.451 -12.612 -5.981 1.00 22.24 H new ATOM 0 HA GLU A 135 9.004 -13.768 -7.119 1.00 13.14 H new ATOM 0 HB2 GLU A 135 9.862 -13.349 -4.240 1.00 14.33 H new ATOM 0 HB3 GLU A 135 8.435 -14.211 -4.781 1.00 14.33 H new ATOM 0 HG2 GLU A 135 10.021 -15.761 -6.074 1.00 74.13 H new ATOM 0 HG3 GLU A 135 11.335 -14.996 -5.203 1.00 74.13 H new ATOM 673 N ILE A 136 7.923 -11.557 -7.267 1.00 33.20 N ATOM 674 CA ILE A 136 7.049 -10.400 -7.267 1.00 35.20 C ATOM 675 C ILE A 136 5.816 -10.721 -6.440 1.00 74.34 C ATOM 676 O ILE A 136 4.909 -11.401 -6.920 1.00 74.24 O ATOM 677 CB ILE A 136 6.606 -10.016 -8.696 1.00 24.43 C ATOM 678 CG1 ILE A 136 7.797 -10.020 -9.655 1.00 42.41 C ATOM 679 CG2 ILE A 136 5.940 -8.647 -8.693 1.00 42.55 C ATOM 680 CD1 ILE A 136 7.403 -9.822 -11.104 1.00 20.22 C ATOM 0 H ILE A 136 7.924 -12.083 -8.141 1.00 33.20 H new ATOM 0 HA ILE A 136 7.598 -9.558 -6.846 1.00 35.20 H new ATOM 0 HB ILE A 136 5.886 -10.759 -9.040 1.00 24.43 H new ATOM 0 HG12 ILE A 136 8.491 -9.232 -9.364 1.00 42.41 H new ATOM 0 HG13 ILE A 136 8.330 -10.966 -9.557 1.00 42.41 H new ATOM 0 HG21 ILE A 136 5.633 -8.389 -9.707 1.00 42.55 H new ATOM 0 HG22 ILE A 136 5.065 -8.670 -8.044 1.00 42.55 H new ATOM 0 HG23 ILE A 136 6.645 -7.900 -8.327 1.00 42.55 H new ATOM 0 HD11 ILE A 136 8.296 -9.835 -11.729 1.00 20.22 H new ATOM 0 HD12 ILE A 136 6.733 -10.624 -11.412 1.00 20.22 H new ATOM 0 HD13 ILE A 136 6.896 -8.863 -11.216 1.00 20.22 H new ATOM 692 N MET A 137 5.796 -10.274 -5.193 1.00 11.14 N ATOM 693 CA MET A 137 4.717 -10.633 -4.290 1.00 4.12 C ATOM 694 C MET A 137 3.410 -10.006 -4.747 1.00 65.31 C ATOM 695 O MET A 137 3.220 -8.789 -4.666 1.00 60.22 O ATOM 696 CB MET A 137 5.034 -10.220 -2.855 1.00 64.23 C ATOM 697 CG MET A 137 4.103 -10.866 -1.843 1.00 0.24 C ATOM 698 SD MET A 137 4.127 -12.669 -1.959 1.00 43.22 S ATOM 699 CE MET A 137 2.790 -13.110 -0.851 1.00 64.40 C ATOM 0 H MET A 137 6.509 -9.667 -4.788 1.00 11.14 H new ATOM 0 HA MET A 137 4.611 -11.718 -4.310 1.00 4.12 H new ATOM 0 HB2 MET A 137 6.063 -10.492 -2.621 1.00 64.23 H new ATOM 0 HB3 MET A 137 4.963 -9.136 -2.769 1.00 64.23 H new ATOM 0 HG2 MET A 137 4.394 -10.563 -0.837 1.00 0.24 H new ATOM 0 HG3 MET A 137 3.087 -10.506 -2.003 1.00 0.24 H new ATOM 0 HE1 MET A 137 2.686 -14.195 -0.820 1.00 64.40 H new ATOM 0 HE2 MET A 137 3.009 -12.738 0.150 1.00 64.40 H new ATOM 0 HE3 MET A 137 1.861 -12.666 -1.208 1.00 64.40 H new ATOM 859 N PHE A 148 5.585 -3.987 -2.916 1.00 60.12 N ATOM 860 CA PHE A 148 6.941 -4.460 -2.682 1.00 53.32 C ATOM 861 C PHE A 148 7.188 -5.782 -3.400 1.00 2.04 C ATOM 862 O PHE A 148 6.247 -6.469 -3.806 1.00 42.45 O ATOM 863 CB PHE A 148 7.194 -4.625 -1.177 1.00 14.42 C ATOM 864 CG PHE A 148 6.178 -5.489 -0.474 1.00 1.52 C ATOM 865 CD1 PHE A 148 6.289 -6.871 -0.477 1.00 75.43 C ATOM 866 CD2 PHE A 148 5.111 -4.912 0.194 1.00 41.43 C ATOM 867 CE1 PHE A 148 5.355 -7.657 0.169 1.00 20.40 C ATOM 868 CE2 PHE A 148 4.173 -5.693 0.841 1.00 23.53 C ATOM 869 CZ PHE A 148 4.295 -7.068 0.829 1.00 51.40 C ATOM 0 HA PHE A 148 7.633 -3.718 -3.080 1.00 53.32 H new ATOM 0 HB2 PHE A 148 8.185 -5.055 -1.031 1.00 14.42 H new ATOM 0 HB3 PHE A 148 7.203 -3.640 -0.711 1.00 14.42 H new ATOM 0 HD1 PHE A 148 7.116 -7.339 -0.991 1.00 75.43 H new ATOM 0 HD2 PHE A 148 5.011 -3.837 0.209 1.00 41.43 H new ATOM 0 HE1 PHE A 148 5.454 -8.732 0.158 1.00 20.40 H new ATOM 0 HE2 PHE A 148 3.345 -5.228 1.356 1.00 23.53 H new ATOM 0 HZ PHE A 148 3.563 -7.681 1.334 1.00 51.40 H new ATOM 879 N ALA A 149 8.454 -6.136 -3.544 1.00 41.00 N ATOM 880 CA ALA A 149 8.825 -7.400 -4.153 1.00 70.32 C ATOM 881 C ALA A 149 10.013 -8.009 -3.426 1.00 64.21 C ATOM 882 O ALA A 149 10.580 -7.393 -2.520 1.00 72.34 O ATOM 883 CB ALA A 149 9.137 -7.216 -5.635 1.00 50.43 C ATOM 0 H ALA A 149 9.244 -5.563 -3.246 1.00 41.00 H new ATOM 0 HA ALA A 149 7.980 -8.084 -4.068 1.00 70.32 H new ATOM 0 HB1 ALA A 149 9.413 -8.176 -6.071 1.00 50.43 H new ATOM 0 HB2 ALA A 149 8.257 -6.825 -6.146 1.00 50.43 H new ATOM 0 HB3 ALA A 149 9.964 -6.515 -5.748 1.00 50.43 H new ATOM 889 N PHE A 150 10.389 -9.214 -3.822 1.00 1.33 N ATOM 890 CA PHE A 150 11.465 -9.927 -3.162 1.00 44.13 C ATOM 891 C PHE A 150 12.437 -10.481 -4.187 1.00 35.54 C ATOM 892 O PHE A 150 12.057 -10.772 -5.321 1.00 54.42 O ATOM 893 CB PHE A 150 10.912 -11.066 -2.306 1.00 52.13 C ATOM 894 CG PHE A 150 9.943 -10.616 -1.253 1.00 23.13 C ATOM 895 CD1 PHE A 150 8.581 -10.802 -1.422 1.00 0.12 C ATOM 896 CD2 PHE A 150 10.393 -10.001 -0.096 1.00 11.44 C ATOM 897 CE1 PHE A 150 7.687 -10.385 -0.459 1.00 13.12 C ATOM 898 CE2 PHE A 150 9.503 -9.581 0.872 1.00 71.53 C ATOM 899 CZ PHE A 150 8.148 -9.773 0.689 1.00 51.53 C ATOM 0 H PHE A 150 9.962 -9.718 -4.599 1.00 1.33 H new ATOM 0 HA PHE A 150 11.991 -9.225 -2.515 1.00 44.13 H new ATOM 0 HB2 PHE A 150 10.419 -11.790 -2.955 1.00 52.13 H new ATOM 0 HB3 PHE A 150 11.742 -11.583 -1.825 1.00 52.13 H new ATOM 0 HD1 PHE A 150 8.215 -11.279 -2.319 1.00 0.12 H new ATOM 0 HD2 PHE A 150 11.452 -9.848 0.050 1.00 11.44 H new ATOM 0 HE1 PHE A 150 6.627 -10.537 -0.603 1.00 13.12 H new ATOM 0 HE2 PHE A 150 9.866 -9.103 1.770 1.00 71.53 H new ATOM 0 HZ PHE A 150 7.449 -9.444 1.444 1.00 51.53 H new ATOM 909 N VAL A 151 13.684 -10.631 -3.783 1.00 12.14 N ATOM 910 CA VAL A 151 14.727 -11.116 -4.671 1.00 22.14 C ATOM 911 C VAL A 151 15.553 -12.162 -3.942 1.00 55.54 C ATOM 912 O VAL A 151 16.211 -11.858 -2.946 1.00 31.21 O ATOM 913 CB VAL A 151 15.652 -9.972 -5.150 1.00 23.22 C ATOM 914 CG1 VAL A 151 16.678 -10.481 -6.150 1.00 14.13 C ATOM 915 CG2 VAL A 151 14.843 -8.837 -5.753 1.00 15.13 C ATOM 0 H VAL A 151 14.003 -10.422 -2.837 1.00 12.14 H new ATOM 0 HA VAL A 151 14.250 -11.549 -5.550 1.00 22.14 H new ATOM 0 HB VAL A 151 16.185 -9.590 -4.279 1.00 23.22 H new ATOM 0 HG11 VAL A 151 17.315 -9.656 -6.470 1.00 14.13 H new ATOM 0 HG12 VAL A 151 17.290 -11.252 -5.682 1.00 14.13 H new ATOM 0 HG13 VAL A 151 16.165 -10.900 -7.016 1.00 14.13 H new ATOM 0 HG21 VAL A 151 15.516 -8.045 -6.082 1.00 15.13 H new ATOM 0 HG22 VAL A 151 14.275 -9.208 -6.606 1.00 15.13 H new ATOM 0 HG23 VAL A 151 14.156 -8.442 -5.004 1.00 15.13 H new ATOM 925 N THR A 152 15.492 -13.389 -4.416 1.00 43.11 N ATOM 926 CA THR A 152 16.204 -14.478 -3.783 1.00 13.31 C ATOM 927 C THR A 152 17.516 -14.750 -4.505 1.00 75.44 C ATOM 928 O THR A 152 17.555 -14.846 -5.730 1.00 14.44 O ATOM 929 CB THR A 152 15.344 -15.753 -3.763 1.00 33.04 C ATOM 930 OG1 THR A 152 14.084 -15.472 -3.146 1.00 32.32 O ATOM 931 CG2 THR A 152 16.045 -16.873 -3.008 1.00 4.43 C ATOM 0 H THR A 152 14.955 -13.657 -5.240 1.00 43.11 H new ATOM 0 HA THR A 152 16.420 -14.186 -2.755 1.00 13.31 H new ATOM 0 HB THR A 152 15.187 -16.078 -4.791 1.00 33.04 H new ATOM 0 HG1 THR A 152 13.536 -16.285 -3.135 1.00 32.32 H new ATOM 0 HG21 THR A 152 15.415 -17.762 -3.009 1.00 4.43 H new ATOM 0 HG22 THR A 152 16.994 -17.100 -3.493 1.00 4.43 H new ATOM 0 HG23 THR A 152 16.228 -16.560 -1.980 1.00 4.43 H new ATOM 939 N PHE A 153 18.585 -14.866 -3.741 1.00 12.44 N ATOM 940 CA PHE A 153 19.907 -15.079 -4.293 1.00 32.22 C ATOM 941 C PHE A 153 20.409 -16.469 -3.937 1.00 35.44 C ATOM 942 O PHE A 153 19.970 -17.064 -2.952 1.00 0.23 O ATOM 943 CB PHE A 153 20.877 -14.018 -3.766 1.00 61.33 C ATOM 944 CG PHE A 153 20.504 -12.616 -4.153 1.00 13.33 C ATOM 945 CD1 PHE A 153 21.053 -12.025 -5.279 1.00 74.51 C ATOM 946 CD2 PHE A 153 19.603 -11.888 -3.390 1.00 11.13 C ATOM 947 CE1 PHE A 153 20.710 -10.737 -5.636 1.00 12.24 C ATOM 948 CE2 PHE A 153 19.258 -10.601 -3.744 1.00 65.40 C ATOM 949 CZ PHE A 153 19.812 -10.026 -4.867 1.00 35.22 C ATOM 0 H PHE A 153 18.561 -14.815 -2.723 1.00 12.44 H new ATOM 0 HA PHE A 153 19.849 -14.995 -5.378 1.00 32.22 H new ATOM 0 HB2 PHE A 153 20.921 -14.086 -2.679 1.00 61.33 H new ATOM 0 HB3 PHE A 153 21.878 -14.235 -4.140 1.00 61.33 H new ATOM 0 HD1 PHE A 153 21.757 -12.578 -5.884 1.00 74.51 H new ATOM 0 HD2 PHE A 153 19.167 -12.334 -2.509 1.00 11.13 H new ATOM 0 HE1 PHE A 153 21.144 -10.286 -6.516 1.00 12.24 H new ATOM 0 HE2 PHE A 153 18.555 -10.044 -3.142 1.00 65.40 H new ATOM 0 HZ PHE A 153 19.543 -9.018 -5.145 1.00 35.22 H new ATOM 959 N ASP A 154 21.318 -16.986 -4.751 1.00 20.43 N ATOM 960 CA ASP A 154 21.888 -18.312 -4.517 1.00 41.00 C ATOM 961 C ASP A 154 22.917 -18.261 -3.394 1.00 22.11 C ATOM 962 O ASP A 154 23.179 -19.259 -2.722 1.00 73.55 O ATOM 963 CB ASP A 154 22.531 -18.841 -5.801 1.00 0.43 C ATOM 964 CG ASP A 154 23.060 -20.255 -5.656 1.00 61.24 C ATOM 965 OD1 ASP A 154 24.295 -20.438 -5.643 1.00 2.14 O ATOM 966 OD2 ASP A 154 22.242 -21.191 -5.570 1.00 42.23 O ATOM 0 H ASP A 154 21.678 -16.511 -5.579 1.00 20.43 H new ATOM 0 HA ASP A 154 21.086 -18.988 -4.219 1.00 41.00 H new ATOM 0 HB2 ASP A 154 21.798 -18.814 -6.607 1.00 0.43 H new ATOM 0 HB3 ASP A 154 23.348 -18.181 -6.091 1.00 0.43 H new ATOM 971 N ASP A 155 23.471 -17.079 -3.180 1.00 10.10 N ATOM 972 CA ASP A 155 24.499 -16.880 -2.162 1.00 54.30 C ATOM 973 C ASP A 155 24.153 -15.669 -1.314 1.00 54.13 C ATOM 974 O ASP A 155 23.717 -14.647 -1.843 1.00 55.31 O ATOM 975 CB ASP A 155 25.874 -16.664 -2.807 1.00 50.32 C ATOM 976 CG ASP A 155 27.025 -16.921 -1.849 1.00 10.41 C ATOM 977 OD1 ASP A 155 27.965 -17.652 -2.225 1.00 73.15 O ATOM 978 OD2 ASP A 155 26.996 -16.402 -0.719 1.00 11.21 O ATOM 0 H ASP A 155 23.227 -16.236 -3.699 1.00 10.10 H new ATOM 0 HA ASP A 155 24.539 -17.774 -1.539 1.00 54.30 H new ATOM 0 HB2 ASP A 155 25.972 -17.323 -3.670 1.00 50.32 H new ATOM 0 HB3 ASP A 155 25.939 -15.641 -3.178 1.00 50.32 H new ATOM 983 N HIS A 156 24.360 -15.776 -0.009 1.00 32.03 N ATOM 984 CA HIS A 156 24.085 -14.665 0.891 1.00 50.21 C ATOM 985 C HIS A 156 25.178 -13.602 0.783 1.00 33.31 C ATOM 986 O HIS A 156 25.042 -12.500 1.312 1.00 64.05 O ATOM 987 CB HIS A 156 23.924 -15.146 2.343 1.00 54.45 C ATOM 988 CG HIS A 156 25.067 -15.961 2.877 1.00 14.33 C ATOM 989 ND1 HIS A 156 24.867 -17.218 3.393 1.00 14.24 N ATOM 990 CD2 HIS A 156 26.379 -15.639 2.998 1.00 55.15 C ATOM 991 CE1 HIS A 156 26.051 -17.628 3.815 1.00 44.32 C ATOM 992 NE2 HIS A 156 26.996 -16.706 3.597 1.00 23.42 N ATOM 0 H HIS A 156 24.715 -16.616 0.448 1.00 32.03 H new ATOM 0 HA HIS A 156 23.139 -14.215 0.589 1.00 50.21 H new ATOM 0 HB2 HIS A 156 23.789 -14.275 2.984 1.00 54.45 H new ATOM 0 HB3 HIS A 156 23.012 -15.739 2.414 1.00 54.45 H new ATOM 0 HD2 HIS A 156 26.848 -14.718 2.683 1.00 55.15 H new ATOM 0 HE1 HIS A 156 26.233 -18.587 4.278 1.00 44.32 H new ATOM 0 HE2 HIS A 156 27.986 -16.783 3.832 1.00 23.42 H new ATOM 1000 N ASP A 157 26.257 -13.940 0.082 1.00 11.52 N ATOM 1001 CA ASP A 157 27.330 -12.988 -0.177 1.00 11.31 C ATOM 1002 C ASP A 157 26.835 -11.872 -1.085 1.00 60.40 C ATOM 1003 O ASP A 157 27.037 -10.691 -0.805 1.00 11.53 O ATOM 1004 CB ASP A 157 28.526 -13.689 -0.819 1.00 53.43 C ATOM 1005 CG ASP A 157 29.631 -12.728 -1.196 1.00 62.51 C ATOM 1006 OD1 ASP A 157 29.753 -12.402 -2.394 1.00 74.40 O ATOM 1007 OD2 ASP A 157 30.384 -12.299 -0.297 1.00 13.55 O ATOM 0 H ASP A 157 26.410 -14.866 -0.316 1.00 11.52 H new ATOM 0 HA ASP A 157 27.646 -12.559 0.774 1.00 11.31 H new ATOM 0 HB2 ASP A 157 28.919 -14.435 -0.128 1.00 53.43 H new ATOM 0 HB3 ASP A 157 28.194 -14.223 -1.710 1.00 53.43 H new ATOM 1012 N SER A 158 26.178 -12.259 -2.174 1.00 31.34 N ATOM 1013 CA SER A 158 25.575 -11.302 -3.094 1.00 10.12 C ATOM 1014 C SER A 158 24.553 -10.439 -2.362 1.00 74.24 C ATOM 1015 O SER A 158 24.437 -9.238 -2.609 1.00 70.20 O ATOM 1016 CB SER A 158 24.906 -12.039 -4.259 1.00 13.33 C ATOM 1017 OG SER A 158 24.335 -11.130 -5.181 1.00 72.44 O ATOM 0 H SER A 158 26.050 -13.235 -2.442 1.00 31.34 H new ATOM 0 HA SER A 158 26.359 -10.656 -3.490 1.00 10.12 H new ATOM 0 HB2 SER A 158 25.641 -12.663 -4.768 1.00 13.33 H new ATOM 0 HB3 SER A 158 24.133 -12.705 -3.875 1.00 13.33 H new ATOM 0 HG SER A 158 23.378 -11.317 -5.274 1.00 72.44 H new ATOM 1023 N VAL A 159 23.839 -11.063 -1.438 1.00 22.22 N ATOM 1024 CA VAL A 159 22.806 -10.387 -0.673 1.00 51.43 C ATOM 1025 C VAL A 159 23.406 -9.308 0.222 1.00 3.21 C ATOM 1026 O VAL A 159 22.822 -8.238 0.393 1.00 64.24 O ATOM 1027 CB VAL A 159 22.030 -11.391 0.204 1.00 41.24 C ATOM 1028 CG1 VAL A 159 20.816 -10.743 0.828 1.00 63.22 C ATOM 1029 CG2 VAL A 159 21.625 -12.612 -0.600 1.00 71.05 C ATOM 0 H VAL A 159 23.959 -12.047 -1.199 1.00 22.22 H new ATOM 0 HA VAL A 159 22.124 -9.924 -1.386 1.00 51.43 H new ATOM 0 HB VAL A 159 22.694 -11.713 1.006 1.00 41.24 H new ATOM 0 HG11 VAL A 159 20.288 -11.474 1.441 1.00 63.22 H new ATOM 0 HG12 VAL A 159 21.130 -9.906 1.452 1.00 63.22 H new ATOM 0 HG13 VAL A 159 20.153 -10.381 0.043 1.00 63.22 H new ATOM 0 HG21 VAL A 159 21.079 -13.305 0.041 1.00 71.05 H new ATOM 0 HG22 VAL A 159 20.988 -12.306 -1.430 1.00 71.05 H new ATOM 0 HG23 VAL A 159 22.517 -13.103 -0.989 1.00 71.05 H new ATOM 1039 N ASP A 160 24.585 -9.590 0.772 1.00 64.32 N ATOM 1040 CA ASP A 160 25.243 -8.680 1.710 1.00 23.41 C ATOM 1041 C ASP A 160 25.425 -7.292 1.117 1.00 22.32 C ATOM 1042 O ASP A 160 25.075 -6.297 1.744 1.00 21.23 O ATOM 1043 CB ASP A 160 26.602 -9.230 2.142 1.00 41.21 C ATOM 1044 CG ASP A 160 27.330 -8.282 3.078 1.00 24.03 C ATOM 1045 OD1 ASP A 160 27.089 -8.350 4.302 1.00 63.44 O ATOM 1046 OD2 ASP A 160 28.147 -7.468 2.593 1.00 30.40 O ATOM 0 H ASP A 160 25.107 -10.446 0.584 1.00 64.32 H new ATOM 0 HA ASP A 160 24.592 -8.600 2.581 1.00 23.41 H new ATOM 0 HB2 ASP A 160 26.463 -10.191 2.636 1.00 41.21 H new ATOM 0 HB3 ASP A 160 27.216 -9.411 1.260 1.00 41.21 H new ATOM 1051 N LYS A 161 25.941 -7.236 -0.107 1.00 35.21 N ATOM 1052 CA LYS A 161 26.225 -5.964 -0.777 1.00 65.33 C ATOM 1053 C LYS A 161 24.956 -5.136 -0.941 1.00 11.32 C ATOM 1054 O LYS A 161 25.008 -3.923 -1.151 1.00 1.44 O ATOM 1055 CB LYS A 161 26.827 -6.217 -2.157 1.00 24.35 C ATOM 1056 CG LYS A 161 27.984 -7.198 -2.162 1.00 31.12 C ATOM 1057 CD LYS A 161 27.690 -8.408 -3.032 1.00 13.03 C ATOM 1058 CE LYS A 161 28.870 -9.366 -3.060 1.00 23.41 C ATOM 1059 NZ LYS A 161 28.720 -10.407 -4.111 1.00 1.41 N ATOM 0 H LYS A 161 26.173 -8.060 -0.661 1.00 35.21 H new ATOM 0 HA LYS A 161 26.933 -5.415 -0.156 1.00 65.33 H new ATOM 0 HB2 LYS A 161 26.046 -6.591 -2.819 1.00 24.35 H new ATOM 0 HB3 LYS A 161 27.168 -5.268 -2.571 1.00 24.35 H new ATOM 0 HG2 LYS A 161 28.883 -6.699 -2.524 1.00 31.12 H new ATOM 0 HG3 LYS A 161 28.189 -7.524 -1.142 1.00 31.12 H new ATOM 0 HD2 LYS A 161 26.808 -8.925 -2.654 1.00 13.03 H new ATOM 0 HD3 LYS A 161 27.459 -8.082 -4.046 1.00 13.03 H new ATOM 0 HE2 LYS A 161 29.788 -8.805 -3.235 1.00 23.41 H new ATOM 0 HE3 LYS A 161 28.970 -9.846 -2.086 1.00 23.41 H new ATOM 0 HZ1 LYS A 161 29.601 -10.477 -4.659 1.00 1.41 H new ATOM 0 HZ2 LYS A 161 28.516 -11.324 -3.665 1.00 1.41 H new ATOM 0 HZ3 LYS A 161 27.938 -10.149 -4.746 1.00 1.41 H new ATOM 1073 N ILE A 162 23.825 -5.805 -0.844 1.00 11.21 N ATOM 1074 CA ILE A 162 22.541 -5.183 -1.080 1.00 3.22 C ATOM 1075 C ILE A 162 21.853 -4.816 0.229 1.00 75.31 C ATOM 1076 O ILE A 162 21.386 -3.694 0.397 1.00 21.14 O ATOM 1077 CB ILE A 162 21.649 -6.131 -1.898 1.00 31.04 C ATOM 1078 CG1 ILE A 162 22.323 -6.428 -3.238 1.00 51.23 C ATOM 1079 CG2 ILE A 162 20.264 -5.538 -2.104 1.00 41.44 C ATOM 1080 CD1 ILE A 162 21.681 -7.554 -4.007 1.00 1.30 C ATOM 0 H ILE A 162 23.772 -6.794 -0.600 1.00 11.21 H new ATOM 0 HA ILE A 162 22.705 -4.262 -1.640 1.00 3.22 H new ATOM 0 HB ILE A 162 21.523 -7.063 -1.347 1.00 31.04 H new ATOM 0 HG12 ILE A 162 22.306 -5.526 -3.850 1.00 51.23 H new ATOM 0 HG13 ILE A 162 23.370 -6.673 -3.061 1.00 51.23 H new ATOM 0 HG21 ILE A 162 19.655 -6.230 -2.686 1.00 41.44 H new ATOM 0 HG22 ILE A 162 19.794 -5.366 -1.136 1.00 41.44 H new ATOM 0 HG23 ILE A 162 20.349 -4.592 -2.639 1.00 41.44 H new ATOM 0 HD11 ILE A 162 22.215 -7.705 -4.945 1.00 1.30 H new ATOM 0 HD12 ILE A 162 21.722 -8.469 -3.415 1.00 1.30 H new ATOM 0 HD13 ILE A 162 20.641 -7.304 -4.217 1.00 1.30 H new ATOM 1092 N VAL A 163 21.829 -5.756 1.166 1.00 32.51 N ATOM 1093 CA VAL A 163 21.106 -5.576 2.423 1.00 31.21 C ATOM 1094 C VAL A 163 21.784 -4.565 3.346 1.00 35.32 C ATOM 1095 O VAL A 163 21.212 -4.166 4.364 1.00 74.54 O ATOM 1096 CB VAL A 163 20.945 -6.910 3.183 1.00 70.45 C ATOM 1097 CG1 VAL A 163 20.076 -7.880 2.403 1.00 31.11 C ATOM 1098 CG2 VAL A 163 22.303 -7.531 3.483 1.00 71.13 C ATOM 0 H VAL A 163 22.303 -6.655 1.080 1.00 32.51 H new ATOM 0 HA VAL A 163 20.124 -5.193 2.145 1.00 31.21 H new ATOM 0 HB VAL A 163 20.449 -6.696 4.130 1.00 70.45 H new ATOM 0 HG11 VAL A 163 19.979 -8.811 2.961 1.00 31.11 H new ATOM 0 HG12 VAL A 163 19.089 -7.443 2.252 1.00 31.11 H new ATOM 0 HG13 VAL A 163 20.535 -8.083 1.436 1.00 31.11 H new ATOM 0 HG21 VAL A 163 22.163 -8.470 4.019 1.00 71.13 H new ATOM 0 HG22 VAL A 163 22.830 -7.722 2.548 1.00 71.13 H new ATOM 0 HG23 VAL A 163 22.888 -6.847 4.097 1.00 71.13 H new ATOM 1108 N ILE A 164 23.006 -4.176 3.011 1.00 25.34 N ATOM 1109 CA ILE A 164 23.731 -3.183 3.797 1.00 12.21 C ATOM 1110 C ILE A 164 23.321 -1.767 3.410 1.00 54.35 C ATOM 1111 O ILE A 164 23.462 -0.829 4.198 1.00 13.24 O ATOM 1112 CB ILE A 164 25.261 -3.341 3.645 1.00 74.51 C ATOM 1113 CG1 ILE A 164 25.673 -3.344 2.166 1.00 61.44 C ATOM 1114 CG2 ILE A 164 25.731 -4.613 4.334 1.00 43.23 C ATOM 1115 CD1 ILE A 164 25.997 -1.977 1.603 1.00 73.50 C ATOM 0 H ILE A 164 23.517 -4.531 2.203 1.00 25.34 H new ATOM 0 HA ILE A 164 23.468 -3.355 4.841 1.00 12.21 H new ATOM 0 HB ILE A 164 25.740 -2.487 4.123 1.00 74.51 H new ATOM 0 HG12 ILE A 164 26.544 -3.988 2.046 1.00 61.44 H new ATOM 0 HG13 ILE A 164 24.867 -3.784 1.578 1.00 61.44 H new ATOM 0 HG21 ILE A 164 26.810 -4.712 4.219 1.00 43.23 H new ATOM 0 HG22 ILE A 164 25.482 -4.566 5.394 1.00 43.23 H new ATOM 0 HG23 ILE A 164 25.238 -5.474 3.883 1.00 43.23 H new ATOM 0 HD11 ILE A 164 26.278 -2.073 0.554 1.00 73.50 H new ATOM 0 HD12 ILE A 164 25.122 -1.332 1.687 1.00 73.50 H new ATOM 0 HD13 ILE A 164 26.825 -1.540 2.162 1.00 73.50 H new ATOM 1127 N GLN A 165 22.827 -1.617 2.191 1.00 71.22 N ATOM 1128 CA GLN A 165 22.407 -0.316 1.696 1.00 24.23 C ATOM 1129 C GLN A 165 20.886 -0.225 1.655 1.00 42.35 C ATOM 1130 O GLN A 165 20.204 -1.197 1.338 1.00 74.21 O ATOM 1131 CB GLN A 165 22.990 -0.058 0.305 1.00 44.54 C ATOM 1132 CG GLN A 165 22.720 1.344 -0.214 1.00 34.24 C ATOM 1133 CD GLN A 165 23.318 1.586 -1.581 1.00 4.34 C ATOM 1134 OE1 GLN A 165 24.468 2.004 -1.701 1.00 71.54 O ATOM 1135 NE2 GLN A 165 22.543 1.330 -2.619 1.00 20.32 N ATOM 0 H GLN A 165 22.707 -2.381 1.526 1.00 71.22 H new ATOM 0 HA GLN A 165 22.783 0.447 2.378 1.00 24.23 H new ATOM 0 HB2 GLN A 165 24.067 -0.225 0.334 1.00 44.54 H new ATOM 0 HB3 GLN A 165 22.574 -0.783 -0.395 1.00 44.54 H new ATOM 0 HG2 GLN A 165 21.644 1.509 -0.259 1.00 34.24 H new ATOM 0 HG3 GLN A 165 23.125 2.072 0.489 1.00 34.24 H new ATOM 0 HE21 GLN A 165 21.594 0.984 -2.474 1.00 20.32 H new ATOM 0 HE22 GLN A 165 22.893 1.478 -3.566 1.00 20.32 H new ATOM 1144 N LYS A 166 20.366 0.945 1.986 1.00 54.12 N ATOM 1145 CA LYS A 166 18.931 1.172 2.013 1.00 25.25 C ATOM 1146 C LYS A 166 18.423 1.656 0.657 1.00 51.43 C ATOM 1147 O LYS A 166 17.690 0.950 -0.032 1.00 55.13 O ATOM 1148 CB LYS A 166 18.603 2.193 3.109 1.00 44.34 C ATOM 1149 CG LYS A 166 17.140 2.596 3.184 1.00 24.52 C ATOM 1150 CD LYS A 166 16.880 3.477 4.395 1.00 14.52 C ATOM 1151 CE LYS A 166 15.401 3.789 4.566 1.00 64.00 C ATOM 1152 NZ LYS A 166 15.149 4.599 5.786 1.00 3.44 N ATOM 0 H LYS A 166 20.923 1.760 2.242 1.00 54.12 H new ATOM 0 HA LYS A 166 18.428 0.230 2.232 1.00 25.25 H new ATOM 0 HB2 LYS A 166 18.902 1.780 4.072 1.00 44.34 H new ATOM 0 HB3 LYS A 166 19.204 3.087 2.945 1.00 44.34 H new ATOM 0 HG2 LYS A 166 16.858 3.128 2.275 1.00 24.52 H new ATOM 0 HG3 LYS A 166 16.516 1.704 3.238 1.00 24.52 H new ATOM 0 HD2 LYS A 166 17.252 2.980 5.291 1.00 14.52 H new ATOM 0 HD3 LYS A 166 17.437 4.408 4.292 1.00 14.52 H new ATOM 0 HE2 LYS A 166 15.039 4.327 3.690 1.00 64.00 H new ATOM 0 HE3 LYS A 166 14.837 2.858 4.624 1.00 64.00 H new ATOM 0 HZ1 LYS A 166 14.131 4.792 5.870 1.00 3.44 H new ATOM 0 HZ2 LYS A 166 15.472 4.074 6.624 1.00 3.44 H new ATOM 0 HZ3 LYS A 166 15.668 5.498 5.719 1.00 3.44 H new ATOM 1166 N TYR A 167 18.824 2.856 0.279 1.00 15.21 N ATOM 1167 CA TYR A 167 18.363 3.459 -0.958 1.00 12.44 C ATOM 1168 C TYR A 167 19.140 2.939 -2.162 1.00 21.03 C ATOM 1169 O TYR A 167 20.268 3.360 -2.419 1.00 24.43 O ATOM 1170 CB TYR A 167 18.478 4.982 -0.882 1.00 12.31 C ATOM 1171 CG TYR A 167 17.633 5.610 0.204 1.00 53.12 C ATOM 1172 CD1 TYR A 167 18.080 6.731 0.890 1.00 22.20 C ATOM 1173 CD2 TYR A 167 16.389 5.088 0.539 1.00 41.34 C ATOM 1174 CE1 TYR A 167 17.312 7.317 1.876 1.00 44.23 C ATOM 1175 CE2 TYR A 167 15.616 5.667 1.525 1.00 54.23 C ATOM 1176 CZ TYR A 167 16.081 6.782 2.189 1.00 70.03 C ATOM 1177 OH TYR A 167 15.310 7.367 3.170 1.00 35.14 O ATOM 0 H TYR A 167 19.471 3.435 0.814 1.00 15.21 H new ATOM 0 HA TYR A 167 17.317 3.182 -1.088 1.00 12.44 H new ATOM 0 HB2 TYR A 167 19.522 5.249 -0.716 1.00 12.31 H new ATOM 0 HB3 TYR A 167 18.189 5.406 -1.844 1.00 12.31 H new ATOM 0 HD1 TYR A 167 19.045 7.152 0.648 1.00 22.20 H new ATOM 0 HD2 TYR A 167 16.021 4.215 0.019 1.00 41.34 H new ATOM 0 HE1 TYR A 167 17.674 8.190 2.399 1.00 44.23 H new ATOM 0 HE2 TYR A 167 14.652 5.249 1.775 1.00 54.23 H new ATOM 0 HH TYR A 167 14.472 6.869 3.268 1.00 35.14 H new ATOM 1187 N HIS A 168 18.537 2.002 -2.881 1.00 41.34 N ATOM 1188 CA HIS A 168 19.104 1.499 -4.128 1.00 62.23 C ATOM 1189 C HIS A 168 18.391 2.137 -5.313 1.00 74.34 C ATOM 1190 O HIS A 168 17.234 2.536 -5.202 1.00 32.13 O ATOM 1191 CB HIS A 168 18.977 -0.028 -4.213 1.00 62.21 C ATOM 1192 CG HIS A 168 19.888 -0.781 -3.288 1.00 55.13 C ATOM 1193 ND1 HIS A 168 21.105 -1.255 -3.713 1.00 70.22 N ATOM 1194 CD2 HIS A 168 19.704 -1.137 -1.993 1.00 13.45 C ATOM 1195 CE1 HIS A 168 21.632 -1.885 -2.678 1.00 54.32 C ATOM 1196 NE2 HIS A 168 20.818 -1.839 -1.614 1.00 23.30 N ATOM 0 H HIS A 168 17.650 1.572 -2.621 1.00 41.34 H new ATOM 0 HA HIS A 168 20.162 1.760 -4.152 1.00 62.23 H new ATOM 0 HB2 HIS A 168 17.946 -0.307 -3.994 1.00 62.21 H new ATOM 0 HB3 HIS A 168 19.181 -0.340 -5.237 1.00 62.21 H new ATOM 0 HD2 HIS A 168 18.845 -0.911 -1.379 1.00 13.45 H new ATOM 0 HE1 HIS A 168 22.595 -2.374 -2.688 1.00 54.32 H new ATOM 0 HE2 HIS A 168 20.994 -2.249 -0.697 1.00 23.30 H new ATOM 1204 N THR A 169 19.069 2.240 -6.442 1.00 11.24 N ATOM 1205 CA THR A 169 18.459 2.802 -7.637 1.00 43.42 C ATOM 1206 C THR A 169 18.151 1.706 -8.650 1.00 3.15 C ATOM 1207 O THR A 169 19.020 1.284 -9.409 1.00 72.40 O ATOM 1208 CB THR A 169 19.367 3.864 -8.286 1.00 15.32 C ATOM 1209 OG1 THR A 169 19.785 4.820 -7.298 1.00 2.31 O ATOM 1210 CG2 THR A 169 18.640 4.587 -9.410 1.00 53.24 C ATOM 0 H THR A 169 20.038 1.944 -6.558 1.00 11.24 H new ATOM 0 HA THR A 169 17.529 3.282 -7.332 1.00 43.42 H new ATOM 0 HB THR A 169 20.238 3.358 -8.701 1.00 15.32 H new ATOM 0 HG1 THR A 169 20.363 5.491 -7.717 1.00 2.31 H new ATOM 0 HG21 THR A 169 19.302 5.332 -9.852 1.00 53.24 H new ATOM 0 HG22 THR A 169 18.343 3.868 -10.173 1.00 53.24 H new ATOM 0 HG23 THR A 169 17.754 5.081 -9.012 1.00 53.24 H new ATOM 1218 N VAL A 170 16.916 1.234 -8.638 1.00 41.24 N ATOM 1219 CA VAL A 170 16.488 0.201 -9.566 1.00 70.02 C ATOM 1220 C VAL A 170 15.612 0.817 -10.645 1.00 51.23 C ATOM 1221 O VAL A 170 14.738 1.628 -10.340 1.00 33.13 O ATOM 1222 CB VAL A 170 15.707 -0.923 -8.851 1.00 22.02 C ATOM 1223 CG1 VAL A 170 15.340 -2.026 -9.829 1.00 11.02 C ATOM 1224 CG2 VAL A 170 16.513 -1.484 -7.689 1.00 44.22 C ATOM 0 H VAL A 170 16.191 1.550 -7.994 1.00 41.24 H new ATOM 0 HA VAL A 170 17.381 -0.239 -10.010 1.00 70.02 H new ATOM 0 HB VAL A 170 14.786 -0.497 -8.453 1.00 22.02 H new ATOM 0 HG11 VAL A 170 14.790 -2.808 -9.306 1.00 11.02 H new ATOM 0 HG12 VAL A 170 14.718 -1.615 -10.624 1.00 11.02 H new ATOM 0 HG13 VAL A 170 16.248 -2.447 -10.260 1.00 11.02 H new ATOM 0 HG21 VAL A 170 15.944 -2.274 -7.200 1.00 44.22 H new ATOM 0 HG22 VAL A 170 17.453 -1.891 -8.061 1.00 44.22 H new ATOM 0 HG23 VAL A 170 16.720 -0.689 -6.973 1.00 44.22 H new ATOM 1234 N ASN A 171 15.888 0.469 -11.903 1.00 11.21 N ATOM 1235 CA ASN A 171 15.131 0.970 -13.060 1.00 71.00 C ATOM 1236 C ASN A 171 15.405 2.455 -13.317 1.00 12.44 C ATOM 1237 O ASN A 171 15.187 2.959 -14.420 1.00 33.21 O ATOM 1238 CB ASN A 171 13.624 0.709 -12.878 1.00 60.31 C ATOM 1239 CG ASN A 171 12.762 1.409 -13.916 1.00 34.33 C ATOM 1240 OD1 ASN A 171 12.567 0.907 -15.024 1.00 42.21 O ATOM 1241 ND2 ASN A 171 12.207 2.557 -13.554 1.00 52.25 N ATOM 0 H ASN A 171 16.643 -0.169 -12.153 1.00 11.21 H new ATOM 0 HA ASN A 171 15.471 0.422 -13.939 1.00 71.00 H new ATOM 0 HB2 ASN A 171 13.440 -0.364 -12.927 1.00 60.31 H new ATOM 0 HB3 ASN A 171 13.323 1.039 -11.884 1.00 60.31 H new ATOM 0 HD21 ASN A 171 11.596 3.055 -14.201 1.00 52.25 H new ATOM 0 HD22 ASN A 171 12.391 2.943 -12.628 1.00 52.25 H new ATOM 1248 N GLY A 172 15.913 3.143 -12.308 1.00 63.23 N ATOM 1249 CA GLY A 172 16.167 4.561 -12.422 1.00 24.23 C ATOM 1250 C GLY A 172 15.552 5.336 -11.279 1.00 44.32 C ATOM 1251 O GLY A 172 15.775 6.539 -11.142 1.00 5.11 O ATOM 0 H GLY A 172 16.156 2.739 -11.403 1.00 63.23 H new ATOM 0 HA2 GLY A 172 17.243 4.737 -12.443 1.00 24.23 H new ATOM 0 HA3 GLY A 172 15.766 4.927 -13.367 1.00 24.23 H new ATOM 1255 N HIS A 173 14.791 4.646 -10.441 1.00 5.22 N ATOM 1256 CA HIS A 173 14.130 5.289 -9.318 1.00 53.44 C ATOM 1257 C HIS A 173 14.722 4.802 -8.005 1.00 44.34 C ATOM 1258 O HIS A 173 15.234 3.682 -7.914 1.00 24.22 O ATOM 1259 CB HIS A 173 12.608 5.068 -9.356 1.00 61.22 C ATOM 1260 CG HIS A 173 12.170 3.630 -9.406 1.00 55.02 C ATOM 1261 ND1 HIS A 173 11.832 3.027 -10.595 1.00 32.10 N ATOM 1262 CD2 HIS A 173 11.990 2.741 -8.395 1.00 32.21 C ATOM 1263 CE1 HIS A 173 11.456 1.797 -10.285 1.00 22.02 C ATOM 1264 NE2 HIS A 173 11.534 1.580 -8.967 1.00 73.01 N ATOM 0 H HIS A 173 14.617 3.644 -10.518 1.00 5.22 H new ATOM 0 HA HIS A 173 14.302 6.363 -9.396 1.00 53.44 H new ATOM 0 HB2 HIS A 173 12.167 5.535 -8.475 1.00 61.22 H new ATOM 0 HB3 HIS A 173 12.204 5.585 -10.226 1.00 61.22 H new ATOM 0 HD2 HIS A 173 12.171 2.914 -7.344 1.00 32.21 H new ATOM 0 HE1 HIS A 173 11.128 1.061 -11.004 1.00 22.02 H new ATOM 0 HE2 HIS A 173 11.299 0.715 -8.480 1.00 73.01 H new ATOM 1272 N ASN A 174 14.674 5.658 -7.002 1.00 34.34 N ATOM 1273 CA ASN A 174 15.258 5.354 -5.707 1.00 33.13 C ATOM 1274 C ASN A 174 14.295 4.522 -4.874 1.00 64.22 C ATOM 1275 O ASN A 174 13.147 4.912 -4.657 1.00 20.13 O ATOM 1276 CB ASN A 174 15.609 6.647 -4.971 1.00 32.41 C ATOM 1277 CG ASN A 174 16.465 6.405 -3.745 1.00 51.33 C ATOM 1278 OD1 ASN A 174 17.253 5.462 -3.704 1.00 3.25 O ATOM 1279 ND2 ASN A 174 16.327 7.262 -2.746 1.00 72.01 N ATOM 0 H ASN A 174 14.233 6.576 -7.059 1.00 34.34 H new ATOM 0 HA ASN A 174 16.170 4.778 -5.863 1.00 33.13 H new ATOM 0 HB2 ASN A 174 16.136 7.316 -5.651 1.00 32.41 H new ATOM 0 HB3 ASN A 174 14.690 7.153 -4.674 1.00 32.41 H new ATOM 0 HD21 ASN A 174 16.887 7.154 -1.900 1.00 72.01 H new ATOM 0 HD22 ASN A 174 15.661 8.031 -2.822 1.00 72.01 H new ATOM 1286 N CYS A 175 14.767 3.377 -4.417 1.00 14.21 N ATOM 1287 CA CYS A 175 13.951 2.479 -3.622 1.00 12.42 C ATOM 1288 C CYS A 175 14.575 2.277 -2.248 1.00 40.33 C ATOM 1289 O CYS A 175 15.542 2.951 -1.893 1.00 4.45 O ATOM 1290 CB CYS A 175 13.781 1.139 -4.344 1.00 23.43 C ATOM 1291 SG CYS A 175 15.332 0.319 -4.772 1.00 13.34 S ATOM 0 H CYS A 175 15.717 3.046 -4.584 1.00 14.21 H new ATOM 0 HA CYS A 175 12.965 2.924 -3.488 1.00 12.42 H new ATOM 0 HB2 CYS A 175 13.194 0.472 -3.713 1.00 23.43 H new ATOM 0 HB3 CYS A 175 13.207 1.302 -5.256 1.00 23.43 H new ATOM 0 HG CYS A 175 16.167 1.193 -5.250 1.00 13.34 H new ATOM 1297 N GLU A 176 14.023 1.353 -1.483 1.00 51.44 N ATOM 1298 CA GLU A 176 14.472 1.110 -0.124 1.00 10.12 C ATOM 1299 C GLU A 176 14.503 -0.396 0.141 1.00 31.40 C ATOM 1300 O GLU A 176 13.475 -1.069 0.088 1.00 41.40 O ATOM 1301 CB GLU A 176 13.549 1.866 0.841 1.00 74.42 C ATOM 1302 CG GLU A 176 13.897 1.729 2.310 1.00 24.32 C ATOM 1303 CD GLU A 176 13.098 0.657 3.012 1.00 53.02 C ATOM 1304 OE1 GLU A 176 11.958 0.938 3.439 1.00 70.01 O ATOM 1305 OE2 GLU A 176 13.616 -0.456 3.170 1.00 24.52 O ATOM 0 H GLU A 176 13.255 0.753 -1.784 1.00 51.44 H new ATOM 0 HA GLU A 176 15.486 1.480 0.029 1.00 10.12 H new ATOM 0 HB2 GLU A 176 13.563 2.924 0.578 1.00 74.42 H new ATOM 0 HB3 GLU A 176 12.528 1.514 0.692 1.00 74.42 H new ATOM 0 HG2 GLU A 176 14.959 1.503 2.406 1.00 24.32 H new ATOM 0 HG3 GLU A 176 13.728 2.684 2.808 1.00 24.32 H new ATOM 1312 N VAL A 177 15.697 -0.919 0.388 1.00 31.21 N ATOM 1313 CA VAL A 177 15.907 -2.358 0.468 1.00 54.24 C ATOM 1314 C VAL A 177 16.359 -2.796 1.862 1.00 53.41 C ATOM 1315 O VAL A 177 17.161 -2.124 2.512 1.00 53.30 O ATOM 1316 CB VAL A 177 16.951 -2.809 -0.580 1.00 14.31 C ATOM 1317 CG1 VAL A 177 17.247 -4.296 -0.469 1.00 5.03 C ATOM 1318 CG2 VAL A 177 16.475 -2.468 -1.984 1.00 32.23 C ATOM 0 H VAL A 177 16.539 -0.364 0.537 1.00 31.21 H new ATOM 0 HA VAL A 177 14.948 -2.834 0.261 1.00 54.24 H new ATOM 0 HB VAL A 177 17.877 -2.270 -0.379 1.00 14.31 H new ATOM 0 HG11 VAL A 177 17.985 -4.577 -1.221 1.00 5.03 H new ATOM 0 HG12 VAL A 177 17.639 -4.516 0.524 1.00 5.03 H new ATOM 0 HG13 VAL A 177 16.330 -4.863 -0.631 1.00 5.03 H new ATOM 0 HG21 VAL A 177 17.221 -2.792 -2.710 1.00 32.23 H new ATOM 0 HG22 VAL A 177 15.531 -2.977 -2.182 1.00 32.23 H new ATOM 0 HG23 VAL A 177 16.331 -1.391 -2.068 1.00 32.23 H new ATOM 1328 N ARG A 178 15.829 -3.931 2.310 1.00 71.00 N ATOM 1329 CA ARG A 178 16.185 -4.506 3.603 1.00 62.14 C ATOM 1330 C ARG A 178 16.440 -5.996 3.451 1.00 4.02 C ATOM 1331 O ARG A 178 16.346 -6.542 2.350 1.00 74.43 O ATOM 1332 CB ARG A 178 15.048 -4.322 4.612 1.00 14.45 C ATOM 1333 CG ARG A 178 14.303 -3.020 4.450 1.00 44.44 C ATOM 1334 CD ARG A 178 13.134 -2.903 5.409 1.00 23.02 C ATOM 1335 NE ARG A 178 12.280 -1.783 5.042 1.00 22.20 N ATOM 1336 CZ ARG A 178 11.071 -1.555 5.537 1.00 10.25 C ATOM 1337 NH1 ARG A 178 10.561 -2.346 6.476 1.00 44.11 N ATOM 1338 NH2 ARG A 178 10.375 -0.524 5.094 1.00 64.51 N ATOM 0 H ARG A 178 15.143 -4.476 1.788 1.00 71.00 H new ATOM 0 HA ARG A 178 17.080 -3.996 3.961 1.00 62.14 H new ATOM 0 HB2 ARG A 178 14.345 -5.149 4.510 1.00 14.45 H new ATOM 0 HB3 ARG A 178 15.457 -4.374 5.621 1.00 14.45 H new ATOM 0 HG2 ARG A 178 14.989 -2.189 4.613 1.00 44.44 H new ATOM 0 HG3 ARG A 178 13.940 -2.937 3.426 1.00 44.44 H new ATOM 0 HD2 ARG A 178 12.555 -3.827 5.400 1.00 23.02 H new ATOM 0 HD3 ARG A 178 13.503 -2.768 6.426 1.00 23.02 H new ATOM 0 HE ARG A 178 12.639 -1.123 4.352 1.00 22.20 H new ATOM 0 HH11 ARG A 178 11.101 -3.139 6.824 1.00 44.11 H new ATOM 0 HH12 ARG A 178 9.630 -2.160 6.849 1.00 44.11 H new ATOM 0 HH21 ARG A 178 10.768 0.087 4.378 1.00 64.51 H new ATOM 0 HH22 ARG A 178 9.444 -0.339 5.467 1.00 64.51 H new ATOM 1352 N LYS A 179 16.751 -6.654 4.557 1.00 63.25 N ATOM 1353 CA LYS A 179 16.773 -8.106 4.586 1.00 62.23 C ATOM 1354 C LYS A 179 15.334 -8.605 4.606 1.00 63.33 C ATOM 1355 O LYS A 179 14.537 -8.141 5.422 1.00 13.10 O ATOM 1356 CB LYS A 179 17.500 -8.642 5.834 1.00 74.24 C ATOM 1357 CG LYS A 179 19.002 -8.387 5.883 1.00 13.52 C ATOM 1358 CD LYS A 179 19.348 -6.966 6.309 1.00 11.04 C ATOM 1359 CE LYS A 179 20.839 -6.829 6.577 1.00 33.52 C ATOM 1360 NZ LYS A 179 21.250 -5.418 6.797 1.00 43.54 N ATOM 0 H LYS A 179 16.990 -6.207 5.442 1.00 63.25 H new ATOM 0 HA LYS A 179 17.308 -8.461 3.705 1.00 62.23 H new ATOM 0 HB2 LYS A 179 17.045 -8.194 6.718 1.00 74.24 H new ATOM 0 HB3 LYS A 179 17.330 -9.717 5.898 1.00 74.24 H new ATOM 0 HG2 LYS A 179 19.463 -9.091 6.576 1.00 13.52 H new ATOM 0 HG3 LYS A 179 19.431 -8.581 4.900 1.00 13.52 H new ATOM 0 HD2 LYS A 179 19.048 -6.265 5.530 1.00 11.04 H new ATOM 0 HD3 LYS A 179 18.787 -6.704 7.206 1.00 11.04 H new ATOM 0 HE2 LYS A 179 21.104 -7.422 7.453 1.00 33.52 H new ATOM 0 HE3 LYS A 179 21.396 -7.239 5.734 1.00 33.52 H new ATOM 0 HZ1 LYS A 179 22.154 -5.396 7.311 1.00 43.54 H new ATOM 0 HZ2 LYS A 179 21.362 -4.942 5.879 1.00 43.54 H new ATOM 0 HZ3 LYS A 179 20.522 -4.927 7.355 1.00 43.54 H new ATOM 1374 N ALA A 180 14.988 -9.514 3.706 1.00 32.04 N ATOM 1375 CA ALA A 180 13.639 -10.063 3.688 1.00 54.03 C ATOM 1376 C ALA A 180 13.437 -11.036 4.840 1.00 15.24 C ATOM 1377 O ALA A 180 13.838 -12.198 4.766 1.00 11.51 O ATOM 1378 CB ALA A 180 13.340 -10.740 2.362 1.00 73.21 C ATOM 0 H ALA A 180 15.612 -9.883 2.988 1.00 32.04 H new ATOM 0 HA ALA A 180 12.941 -9.234 3.809 1.00 54.03 H new ATOM 0 HB1 ALA A 180 12.326 -11.140 2.378 1.00 73.21 H new ATOM 0 HB2 ALA A 180 13.431 -10.014 1.554 1.00 73.21 H new ATOM 0 HB3 ALA A 180 14.048 -11.553 2.201 1.00 73.21 H new ATOM 1384 N LEU A 181 12.838 -10.546 5.913 1.00 63.30 N ATOM 1385 CA LEU A 181 12.580 -11.365 7.085 1.00 62.30 C ATOM 1386 C LEU A 181 11.099 -11.697 7.178 1.00 0.31 C ATOM 1387 O LEU A 181 10.257 -10.914 6.740 1.00 53.00 O ATOM 1388 CB LEU A 181 13.049 -10.661 8.370 1.00 45.11 C ATOM 1389 CG LEU A 181 12.207 -9.473 8.853 1.00 4.33 C ATOM 1390 CD1 LEU A 181 12.613 -9.090 10.265 1.00 64.11 C ATOM 1391 CD2 LEU A 181 12.363 -8.272 7.935 1.00 24.41 C ATOM 0 H LEU A 181 12.520 -9.580 5.996 1.00 63.30 H new ATOM 0 HA LEU A 181 13.147 -12.290 6.982 1.00 62.30 H new ATOM 0 HB2 LEU A 181 13.083 -11.401 9.170 1.00 45.11 H new ATOM 0 HB3 LEU A 181 14.070 -10.313 8.214 1.00 45.11 H new ATOM 0 HG LEU A 181 11.161 -9.778 8.840 1.00 4.33 H new ATOM 0 HD11 LEU A 181 12.011 -8.246 10.600 1.00 64.11 H new ATOM 0 HD12 LEU A 181 12.454 -9.937 10.932 1.00 64.11 H new ATOM 0 HD13 LEU A 181 13.667 -8.811 10.278 1.00 64.11 H new ATOM 0 HD21 LEU A 181 11.753 -7.448 8.306 1.00 24.41 H new ATOM 0 HD22 LEU A 181 13.409 -7.966 7.910 1.00 24.41 H new ATOM 0 HD23 LEU A 181 12.039 -8.538 6.929 1.00 24.41 H new ATOM 1403 N SER A 182 10.797 -12.862 7.739 1.00 73.34 N ATOM 1404 CA SER A 182 9.425 -13.328 7.897 1.00 2.11 C ATOM 1405 C SER A 182 8.548 -12.254 8.527 1.00 12.31 C ATOM 1406 O SER A 182 8.969 -11.562 9.457 1.00 20.53 O ATOM 1407 CB SER A 182 9.406 -14.586 8.763 1.00 24.03 C ATOM 1408 OG SER A 182 8.092 -15.097 8.907 1.00 0.05 O ATOM 0 H SER A 182 11.498 -13.511 8.098 1.00 73.34 H new ATOM 0 HA SER A 182 9.025 -13.556 6.909 1.00 2.11 H new ATOM 0 HB2 SER A 182 10.046 -15.346 8.316 1.00 24.03 H new ATOM 0 HB3 SER A 182 9.819 -14.359 9.746 1.00 24.03 H new ATOM 0 HG SER A 182 8.114 -15.903 9.465 1.00 0.05 H new ATOM 1414 N LYS A 183 7.322 -12.129 8.027 1.00 32.31 N ATOM 1415 CA LYS A 183 6.376 -11.154 8.557 1.00 21.24 C ATOM 1416 C LYS A 183 5.995 -11.497 9.993 1.00 32.14 C ATOM 1417 O LYS A 183 5.399 -10.689 10.703 1.00 30.13 O ATOM 1418 CB LYS A 183 5.128 -11.047 7.679 1.00 73.45 C ATOM 1419 CG LYS A 183 4.539 -12.379 7.256 1.00 51.12 C ATOM 1420 CD LYS A 183 3.166 -12.189 6.637 1.00 44.32 C ATOM 1421 CE LYS A 183 2.616 -13.480 6.056 1.00 41.15 C ATOM 1422 NZ LYS A 183 2.522 -14.564 7.068 1.00 30.24 N ATOM 0 H LYS A 183 6.961 -12.691 7.256 1.00 32.31 H new ATOM 0 HA LYS A 183 6.868 -10.182 8.552 1.00 21.24 H new ATOM 0 HB2 LYS A 183 4.367 -10.483 8.219 1.00 73.45 H new ATOM 0 HB3 LYS A 183 5.376 -10.474 6.786 1.00 73.45 H new ATOM 0 HG2 LYS A 183 5.202 -12.864 6.539 1.00 51.12 H new ATOM 0 HG3 LYS A 183 4.465 -13.040 8.120 1.00 51.12 H new ATOM 0 HD2 LYS A 183 2.478 -11.810 7.393 1.00 44.32 H new ATOM 0 HD3 LYS A 183 3.224 -11.435 5.852 1.00 44.32 H new ATOM 0 HE2 LYS A 183 1.628 -13.293 5.635 1.00 41.15 H new ATOM 0 HE3 LYS A 183 3.255 -13.807 5.236 1.00 41.15 H new ATOM 0 HZ1 LYS A 183 2.033 -15.384 6.654 1.00 30.24 H new ATOM 0 HZ2 LYS A 183 3.478 -14.845 7.366 1.00 30.24 H new ATOM 0 HZ3 LYS A 183 1.989 -14.223 7.893 1.00 30.24 H new ATOM 1436 N GLN A 184 6.348 -12.703 10.412 1.00 43.41 N ATOM 1437 CA GLN A 184 6.185 -13.104 11.796 1.00 2.42 C ATOM 1438 C GLN A 184 7.253 -12.444 12.657 1.00 43.41 C ATOM 1439 O GLN A 184 6.952 -11.782 13.650 1.00 54.14 O ATOM 1440 CB GLN A 184 6.297 -14.620 11.926 1.00 11.01 C ATOM 1441 CG GLN A 184 6.087 -15.117 13.347 1.00 72.44 C ATOM 1442 CD GLN A 184 6.175 -16.620 13.458 1.00 32.04 C ATOM 1443 OE1 GLN A 184 7.252 -17.178 13.660 1.00 53.01 O ATOM 1444 NE2 GLN A 184 5.039 -17.284 13.340 1.00 41.11 N ATOM 0 H GLN A 184 6.750 -13.421 9.809 1.00 43.41 H new ATOM 0 HA GLN A 184 5.198 -12.789 12.134 1.00 2.42 H new ATOM 0 HB2 GLN A 184 5.562 -15.089 11.272 1.00 11.01 H new ATOM 0 HB3 GLN A 184 7.281 -14.936 11.579 1.00 11.01 H new ATOM 0 HG2 GLN A 184 6.833 -14.664 14.000 1.00 72.44 H new ATOM 0 HG3 GLN A 184 5.111 -14.787 13.702 1.00 72.44 H new ATOM 0 HE21 GLN A 184 4.168 -16.780 13.173 1.00 41.11 H new ATOM 0 HE22 GLN A 184 5.033 -18.301 13.416 1.00 41.11 H new ATOM 1453 N GLU A 185 8.502 -12.616 12.247 1.00 54.30 N ATOM 1454 CA GLU A 185 9.637 -12.118 13.006 1.00 15.44 C ATOM 1455 C GLU A 185 9.754 -10.606 12.895 1.00 40.43 C ATOM 1456 O GLU A 185 10.186 -9.939 13.833 1.00 42.25 O ATOM 1457 CB GLU A 185 10.929 -12.768 12.518 1.00 1.53 C ATOM 1458 CG GLU A 185 10.938 -14.280 12.639 1.00 71.23 C ATOM 1459 CD GLU A 185 12.297 -14.866 12.337 1.00 1.32 C ATOM 1460 OE1 GLU A 185 12.542 -15.251 11.174 1.00 41.32 O ATOM 1461 OE2 GLU A 185 13.134 -14.934 13.262 1.00 31.03 O ATOM 0 H GLU A 185 8.754 -13.101 11.386 1.00 54.30 H new ATOM 0 HA GLU A 185 9.474 -12.376 14.052 1.00 15.44 H new ATOM 0 HB2 GLU A 185 11.090 -12.495 11.475 1.00 1.53 H new ATOM 0 HB3 GLU A 185 11.766 -12.362 13.087 1.00 1.53 H new ATOM 0 HG2 GLU A 185 10.637 -14.564 13.647 1.00 71.23 H new ATOM 0 HG3 GLU A 185 10.201 -14.702 11.955 1.00 71.23 H new ATOM 1468 N MET A 186 9.356 -10.066 11.750 1.00 24.44 N ATOM 1469 CA MET A 186 9.480 -8.636 11.507 1.00 44.22 C ATOM 1470 C MET A 186 8.588 -7.844 12.457 1.00 50.05 C ATOM 1471 O MET A 186 8.866 -6.684 12.752 1.00 21.32 O ATOM 1472 CB MET A 186 9.146 -8.289 10.052 1.00 3.10 C ATOM 1473 CG MET A 186 7.660 -8.274 9.738 1.00 2.14 C ATOM 1474 SD MET A 186 7.306 -7.617 8.099 1.00 63.21 S ATOM 1475 CE MET A 186 7.866 -5.927 8.288 1.00 12.22 C ATOM 0 H MET A 186 8.947 -10.594 10.979 1.00 24.44 H new ATOM 0 HA MET A 186 10.518 -8.360 11.693 1.00 44.22 H new ATOM 0 HB2 MET A 186 9.564 -7.310 9.819 1.00 3.10 H new ATOM 0 HB3 MET A 186 9.637 -9.009 9.397 1.00 3.10 H new ATOM 0 HG2 MET A 186 7.266 -9.288 9.812 1.00 2.14 H new ATOM 0 HG3 MET A 186 7.140 -7.675 10.486 1.00 2.14 H new ATOM 0 HE1 MET A 186 7.328 -5.285 7.590 1.00 12.22 H new ATOM 0 HE2 MET A 186 7.676 -5.593 9.308 1.00 12.22 H new ATOM 0 HE3 MET A 186 8.935 -5.873 8.081 1.00 12.22 H new