USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=17 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 173 HIS : no HD1:sc= 0.989 K(o=2.2,f=-6.8!) USER MOD Set 1.2: A 175 CYS SG : rot -28:sc= 1.24 USER MOD Set 2.1: A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 167 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 124 TYR OH : rot 20:sc= 0.124 USER MOD Set 3.2: A 128 TYR OH : rot -163:sc= 0.00179 USER MOD Set 3.3: A 165 GLN : amide:sc=-0.00357 X(o=0.52,f=0.53) USER MOD Set 3.4: A 168 HIS : no HD1:sc= 0.393 K(o=0.52,f=-3.9!) USER MOD Set 4.1: A 119 HIS : no HE2:sc= -2.86! K(o=-8.3!,f=-4.4) USER MOD Set 4.2: A 120 HIS : no HE2:sc= -3.38! C(o=-8.3!,f=-9.8!) USER MOD Set 4.3: A 171 ASN : amide:sc= -2.11! K(o=-8.3!,f=-4.4) USER MOD Single : A 105 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0133) USER MOD Single : A 106 LYS NZ :NH3+ 176:sc= 1.11 (180deg=0.879) USER MOD Single : A 127 GLN : amide:sc= 0.82 K(o=0.82,f=-0.14) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 MET CE :methyl 142:sc= -0.282 (180deg=-0.704) USER MOD Single : A 152 THR OG1 : rot -130:sc= -2.94! USER MOD Single : A 156 HIS : no HD1:sc= -0.0575 X(o=-0.057,f=-0.0077) USER MOD Single : A 158 SER OG : rot 168:sc= -2.4! USER MOD Single : A 161 LYS NZ :NH3+ -111:sc= 2.39 (180deg=-1.69) USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= -2.25! C(o=-2.2!,f=-5.9!) USER MOD Single : A 179 LYS NZ :NH3+ -147:sc= -0.646 (180deg=-1.21) USER MOD Single : A 182 SER OG : rot 180:sc= 0.00199 USER MOD Single : A 183 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0211) USER MOD Single : A 184 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 MET CE :methyl -160:sc= -0.168 (180deg=-0.853) USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 104 21.129 -13.849 5.209 1.00 52.44 N ATOM 137 CA VAL A 104 19.929 -13.730 4.402 1.00 30.14 C ATOM 138 C VAL A 104 20.268 -13.914 2.927 1.00 20.04 C ATOM 139 O VAL A 104 21.290 -13.414 2.458 1.00 50.25 O ATOM 140 CB VAL A 104 19.265 -12.354 4.619 1.00 13.12 C ATOM 141 CG1 VAL A 104 17.936 -12.272 3.898 1.00 32.42 C ATOM 142 CG2 VAL A 104 19.080 -12.072 6.103 1.00 22.13 C ATOM 0 HA VAL A 104 19.230 -14.508 4.708 1.00 30.14 H new ATOM 0 HB VAL A 104 19.927 -11.595 4.202 1.00 13.12 H new ATOM 0 HG11 VAL A 104 17.490 -11.292 4.068 1.00 32.42 H new ATOM 0 HG12 VAL A 104 18.092 -12.419 2.829 1.00 32.42 H new ATOM 0 HG13 VAL A 104 17.268 -13.045 4.277 1.00 32.42 H new ATOM 0 HG21 VAL A 104 18.610 -11.097 6.232 1.00 22.13 H new ATOM 0 HG22 VAL A 104 18.446 -12.841 6.543 1.00 22.13 H new ATOM 0 HG23 VAL A 104 20.051 -12.075 6.598 1.00 22.13 H new ATOM 152 N LYS A 105 19.425 -14.645 2.203 1.00 10.51 N ATOM 153 CA LYS A 105 19.663 -14.902 0.787 1.00 34.24 C ATOM 154 C LYS A 105 18.649 -14.160 -0.066 1.00 13.33 C ATOM 155 O LYS A 105 18.773 -14.103 -1.283 1.00 5.23 O ATOM 156 CB LYS A 105 19.584 -16.400 0.462 1.00 23.21 C ATOM 157 CG LYS A 105 20.405 -17.279 1.381 1.00 14.14 C ATOM 158 CD LYS A 105 19.624 -17.637 2.629 1.00 14.23 C ATOM 159 CE LYS A 105 20.545 -18.041 3.754 1.00 40.13 C ATOM 160 NZ LYS A 105 21.335 -19.256 3.426 1.00 13.43 N ATOM 0 H LYS A 105 18.574 -15.068 2.573 1.00 10.51 H new ATOM 0 HA LYS A 105 20.669 -14.547 0.562 1.00 34.24 H new ATOM 0 HB2 LYS A 105 18.542 -16.716 0.511 1.00 23.21 H new ATOM 0 HB3 LYS A 105 19.917 -16.556 -0.564 1.00 23.21 H new ATOM 0 HG2 LYS A 105 20.696 -18.189 0.856 1.00 14.14 H new ATOM 0 HG3 LYS A 105 21.324 -16.763 1.658 1.00 14.14 H new ATOM 0 HD2 LYS A 105 19.019 -16.785 2.939 1.00 14.23 H new ATOM 0 HD3 LYS A 105 18.936 -18.453 2.409 1.00 14.23 H new ATOM 0 HE2 LYS A 105 21.224 -17.218 3.978 1.00 40.13 H new ATOM 0 HE3 LYS A 105 19.958 -18.224 4.654 1.00 40.13 H new ATOM 0 HZ1 LYS A 105 21.889 -19.545 4.257 1.00 13.43 H new ATOM 0 HZ2 LYS A 105 20.691 -20.026 3.155 1.00 13.43 H new ATOM 0 HZ3 LYS A 105 21.979 -19.049 2.636 1.00 13.43 H new ATOM 174 N LYS A 106 17.644 -13.601 0.574 1.00 3.44 N ATOM 175 CA LYS A 106 16.600 -12.886 -0.143 1.00 65.13 C ATOM 176 C LYS A 106 16.437 -11.486 0.418 1.00 13.01 C ATOM 177 O LYS A 106 16.424 -11.287 1.626 1.00 54.14 O ATOM 178 CB LYS A 106 15.275 -13.653 -0.084 1.00 31.20 C ATOM 179 CG LYS A 106 14.114 -12.922 -0.743 1.00 14.04 C ATOM 180 CD LYS A 106 13.009 -13.878 -1.160 1.00 50.21 C ATOM 181 CE LYS A 106 12.417 -14.618 0.025 1.00 65.43 C ATOM 182 NZ LYS A 106 11.443 -15.656 -0.401 1.00 22.53 N ATOM 0 H LYS A 106 17.524 -13.625 1.587 1.00 3.44 H new ATOM 0 HA LYS A 106 16.895 -12.806 -1.189 1.00 65.13 H new ATOM 0 HB2 LYS A 106 15.404 -14.621 -0.567 1.00 31.20 H new ATOM 0 HB3 LYS A 106 15.025 -13.848 0.959 1.00 31.20 H new ATOM 0 HG2 LYS A 106 13.712 -12.181 -0.052 1.00 14.04 H new ATOM 0 HG3 LYS A 106 14.475 -12.380 -1.617 1.00 14.04 H new ATOM 0 HD2 LYS A 106 12.222 -13.322 -1.669 1.00 50.21 H new ATOM 0 HD3 LYS A 106 13.405 -14.598 -1.876 1.00 50.21 H new ATOM 0 HE2 LYS A 106 13.218 -15.085 0.598 1.00 65.43 H new ATOM 0 HE3 LYS A 106 11.923 -13.907 0.687 1.00 65.43 H new ATOM 0 HZ1 LYS A 106 11.112 -16.184 0.432 1.00 22.53 H new ATOM 0 HZ2 LYS A 106 10.632 -15.201 -0.867 1.00 22.53 H new ATOM 0 HZ3 LYS A 106 11.902 -16.311 -1.066 1.00 22.53 H new ATOM 196 N ILE A 107 16.324 -10.515 -0.462 1.00 33.32 N ATOM 197 CA ILE A 107 16.219 -9.134 -0.037 1.00 15.40 C ATOM 198 C ILE A 107 14.793 -8.615 -0.169 1.00 35.10 C ATOM 199 O ILE A 107 13.972 -9.182 -0.894 1.00 52.40 O ATOM 200 CB ILE A 107 17.151 -8.227 -0.841 1.00 41.24 C ATOM 201 CG1 ILE A 107 16.723 -8.194 -2.295 1.00 72.20 C ATOM 202 CG2 ILE A 107 18.586 -8.711 -0.724 1.00 70.14 C ATOM 203 CD1 ILE A 107 17.095 -6.910 -2.968 1.00 33.20 C ATOM 0 H ILE A 107 16.302 -10.654 -1.472 1.00 33.32 H new ATOM 0 HA ILE A 107 16.513 -9.112 1.012 1.00 15.40 H new ATOM 0 HB ILE A 107 17.091 -7.217 -0.437 1.00 41.24 H new ATOM 0 HG12 ILE A 107 17.184 -9.027 -2.826 1.00 72.20 H new ATOM 0 HG13 ILE A 107 15.644 -8.335 -2.357 1.00 72.20 H new ATOM 0 HG21 ILE A 107 19.239 -8.056 -1.301 1.00 70.14 H new ATOM 0 HG22 ILE A 107 18.891 -8.697 0.322 1.00 70.14 H new ATOM 0 HG23 ILE A 107 18.660 -9.728 -1.109 1.00 70.14 H new ATOM 0 HD11 ILE A 107 16.767 -6.936 -4.007 1.00 33.20 H new ATOM 0 HD12 ILE A 107 16.613 -6.078 -2.456 1.00 33.20 H new ATOM 0 HD13 ILE A 107 18.177 -6.780 -2.932 1.00 33.20 H new ATOM 215 N PHE A 108 14.522 -7.530 0.537 1.00 12.51 N ATOM 216 CA PHE A 108 13.213 -6.901 0.533 1.00 10.21 C ATOM 217 C PHE A 108 13.274 -5.591 -0.233 1.00 64.04 C ATOM 218 O PHE A 108 13.976 -4.667 0.171 1.00 24.24 O ATOM 219 CB PHE A 108 12.747 -6.639 1.971 1.00 23.53 C ATOM 220 CG PHE A 108 11.451 -5.883 2.062 1.00 50.12 C ATOM 221 CD1 PHE A 108 10.263 -6.466 1.656 1.00 64.34 C ATOM 222 CD2 PHE A 108 11.423 -4.588 2.558 1.00 12.44 C ATOM 223 CE1 PHE A 108 9.071 -5.775 1.739 1.00 14.45 C ATOM 224 CE2 PHE A 108 10.232 -3.891 2.643 1.00 24.32 C ATOM 225 CZ PHE A 108 9.054 -4.484 2.234 1.00 2.05 C ATOM 0 H PHE A 108 15.206 -7.060 1.130 1.00 12.51 H new ATOM 0 HA PHE A 108 12.502 -7.570 0.047 1.00 10.21 H new ATOM 0 HB2 PHE A 108 12.637 -7.593 2.487 1.00 23.53 H new ATOM 0 HB3 PHE A 108 13.521 -6.080 2.497 1.00 23.53 H new ATOM 0 HD1 PHE A 108 10.269 -7.474 1.269 1.00 64.34 H new ATOM 0 HD2 PHE A 108 12.341 -4.119 2.881 1.00 12.44 H new ATOM 0 HE1 PHE A 108 8.152 -6.242 1.417 1.00 14.45 H new ATOM 0 HE2 PHE A 108 10.223 -2.883 3.029 1.00 24.32 H new ATOM 0 HZ PHE A 108 8.123 -3.941 2.300 1.00 2.05 H new ATOM 235 N VAL A 109 12.556 -5.520 -1.339 1.00 10.42 N ATOM 236 CA VAL A 109 12.517 -4.308 -2.139 1.00 50.13 C ATOM 237 C VAL A 109 11.195 -3.576 -1.920 1.00 31.34 C ATOM 238 O VAL A 109 10.145 -4.013 -2.400 1.00 4.43 O ATOM 239 CB VAL A 109 12.692 -4.615 -3.642 1.00 4.21 C ATOM 240 CG1 VAL A 109 13.005 -3.345 -4.414 1.00 70.42 C ATOM 241 CG2 VAL A 109 13.776 -5.659 -3.862 1.00 55.34 C ATOM 0 H VAL A 109 11.992 -6.287 -1.704 1.00 10.42 H new ATOM 0 HA VAL A 109 13.346 -3.676 -1.820 1.00 50.13 H new ATOM 0 HB VAL A 109 11.752 -5.022 -4.016 1.00 4.21 H new ATOM 0 HG11 VAL A 109 13.125 -3.582 -5.471 1.00 70.42 H new ATOM 0 HG12 VAL A 109 12.188 -2.634 -4.292 1.00 70.42 H new ATOM 0 HG13 VAL A 109 13.927 -2.906 -4.034 1.00 70.42 H new ATOM 0 HG21 VAL A 109 13.879 -5.857 -4.929 1.00 55.34 H new ATOM 0 HG22 VAL A 109 14.723 -5.289 -3.468 1.00 55.34 H new ATOM 0 HG23 VAL A 109 13.504 -6.580 -3.347 1.00 55.34 H new ATOM 251 N GLY A 110 11.249 -2.473 -1.188 1.00 61.13 N ATOM 252 CA GLY A 110 10.044 -1.742 -0.852 1.00 30.43 C ATOM 253 C GLY A 110 10.058 -0.323 -1.385 1.00 4.35 C ATOM 254 O GLY A 110 11.125 0.255 -1.609 1.00 10.22 O ATOM 0 H GLY A 110 12.110 -2.069 -0.819 1.00 61.13 H new ATOM 0 HA2 GLY A 110 9.179 -2.269 -1.254 1.00 30.43 H new ATOM 0 HA3 GLY A 110 9.927 -1.719 0.231 1.00 30.43 H new ATOM 347 N GLU A 117 9.362 -4.962 -12.097 1.00 5.22 N ATOM 348 CA GLU A 117 9.042 -6.362 -11.988 1.00 63.30 C ATOM 349 C GLU A 117 10.312 -7.190 -11.836 1.00 34.34 C ATOM 350 O GLU A 117 11.378 -6.651 -11.535 1.00 72.03 O ATOM 351 CB GLU A 117 8.258 -6.776 -13.230 1.00 5.11 C ATOM 352 CG GLU A 117 9.068 -6.724 -14.505 1.00 51.41 C ATOM 353 CD GLU A 117 8.216 -6.892 -15.743 1.00 34.32 C ATOM 354 OE1 GLU A 117 8.014 -8.045 -16.177 1.00 71.31 O ATOM 355 OE2 GLU A 117 7.742 -5.872 -16.285 1.00 52.40 O ATOM 0 HA GLU A 117 8.433 -6.539 -11.101 1.00 63.30 H new ATOM 0 HB2 GLU A 117 7.882 -7.789 -13.090 1.00 5.11 H new ATOM 0 HB3 GLU A 117 7.390 -6.125 -13.335 1.00 5.11 H new ATOM 0 HG2 GLU A 117 9.595 -5.771 -14.558 1.00 51.41 H new ATOM 0 HG3 GLU A 117 9.826 -7.507 -14.481 1.00 51.41 H new ATOM 362 N GLU A 118 10.192 -8.491 -12.062 1.00 3.34 N ATOM 363 CA GLU A 118 11.292 -9.421 -11.862 1.00 1.21 C ATOM 364 C GLU A 118 12.542 -9.013 -12.632 1.00 31.23 C ATOM 365 O GLU A 118 13.628 -8.932 -12.053 1.00 10.33 O ATOM 366 CB GLU A 118 10.861 -10.843 -12.234 1.00 24.12 C ATOM 367 CG GLU A 118 12.018 -11.765 -12.590 1.00 32.14 C ATOM 368 CD GLU A 118 11.637 -13.227 -12.571 1.00 13.51 C ATOM 369 OE1 GLU A 118 10.852 -13.657 -13.440 1.00 43.34 O ATOM 370 OE2 GLU A 118 12.133 -13.955 -11.687 1.00 21.03 O ATOM 0 H GLU A 118 9.331 -8.930 -12.388 1.00 3.34 H new ATOM 0 HA GLU A 118 11.552 -9.396 -10.804 1.00 1.21 H new ATOM 0 HB2 GLU A 118 10.309 -11.275 -11.399 1.00 24.12 H new ATOM 0 HB3 GLU A 118 10.175 -10.795 -13.079 1.00 24.12 H new ATOM 0 HG2 GLU A 118 12.390 -11.505 -13.581 1.00 32.14 H new ATOM 0 HG3 GLU A 118 12.836 -11.599 -11.889 1.00 32.14 H new ATOM 377 N HIS A 119 12.396 -8.739 -13.923 1.00 22.12 N ATOM 378 CA HIS A 119 13.544 -8.412 -14.756 1.00 74.13 C ATOM 379 C HIS A 119 14.199 -7.107 -14.298 1.00 43.34 C ATOM 380 O HIS A 119 15.394 -6.905 -14.498 1.00 62.55 O ATOM 381 CB HIS A 119 13.146 -8.333 -16.240 1.00 54.21 C ATOM 382 CG HIS A 119 12.679 -6.985 -16.703 1.00 1.21 C ATOM 383 ND1 HIS A 119 13.526 -6.134 -17.368 1.00 25.51 N ATOM 384 CD2 HIS A 119 11.464 -6.405 -16.596 1.00 73.13 C ATOM 385 CE1 HIS A 119 12.808 -5.064 -17.653 1.00 1.20 C ATOM 386 NE2 HIS A 119 11.551 -5.183 -17.209 1.00 72.11 N ATOM 0 H HIS A 119 11.501 -8.737 -14.412 1.00 22.12 H new ATOM 0 HA HIS A 119 14.275 -9.213 -14.646 1.00 74.13 H new ATOM 0 HB2 HIS A 119 14.001 -8.632 -16.846 1.00 54.21 H new ATOM 0 HB3 HIS A 119 12.354 -9.058 -16.427 1.00 54.21 H new ATOM 0 HD1 HIS A 119 14.507 -6.295 -17.595 1.00 25.51 H new ATOM 0 HD2 HIS A 119 10.591 -6.824 -16.118 1.00 73.13 H new ATOM 0 HE1 HIS A 119 13.187 -4.200 -18.179 1.00 1.20 H new ATOM 394 N HIS A 120 13.414 -6.233 -13.674 1.00 1.41 N ATOM 395 CA HIS A 120 13.933 -4.962 -13.189 1.00 24.23 C ATOM 396 C HIS A 120 14.894 -5.182 -12.030 1.00 54.50 C ATOM 397 O HIS A 120 16.074 -4.834 -12.119 1.00 34.02 O ATOM 398 CB HIS A 120 12.801 -4.031 -12.752 1.00 52.20 C ATOM 399 CG HIS A 120 12.035 -3.442 -13.888 1.00 1.41 C ATOM 400 ND1 HIS A 120 10.760 -3.845 -14.169 1.00 33.22 N ATOM 401 CD2 HIS A 120 12.399 -2.478 -14.764 1.00 1.05 C ATOM 402 CE1 HIS A 120 10.369 -3.126 -15.201 1.00 32.51 C ATOM 403 NE2 HIS A 120 11.331 -2.281 -15.602 1.00 11.31 N ATOM 0 H HIS A 120 12.421 -6.382 -13.494 1.00 1.41 H new ATOM 0 HA HIS A 120 14.469 -4.491 -14.013 1.00 24.23 H new ATOM 0 HB2 HIS A 120 12.115 -4.584 -12.111 1.00 52.20 H new ATOM 0 HB3 HIS A 120 13.219 -3.224 -12.150 1.00 52.20 H new ATOM 0 HD1 HIS A 120 10.220 -4.558 -13.679 1.00 33.22 H new ATOM 0 HD2 HIS A 120 13.348 -1.963 -14.797 1.00 1.05 H new ATOM 0 HE1 HIS A 120 9.397 -3.206 -15.666 1.00 32.51 H new ATOM 411 N LEU A 121 14.381 -5.763 -10.943 1.00 52.44 N ATOM 412 CA LEU A 121 15.208 -6.069 -9.778 1.00 44.53 C ATOM 413 C LEU A 121 16.392 -6.938 -10.180 1.00 24.52 C ATOM 414 O LEU A 121 17.540 -6.622 -9.874 1.00 34.11 O ATOM 415 CB LEU A 121 14.407 -6.792 -8.680 1.00 41.32 C ATOM 416 CG LEU A 121 13.351 -5.964 -7.930 1.00 1.32 C ATOM 417 CD1 LEU A 121 13.694 -4.483 -7.941 1.00 41.24 C ATOM 418 CD2 LEU A 121 11.961 -6.212 -8.496 1.00 22.43 C ATOM 0 H LEU A 121 13.401 -6.029 -10.847 1.00 52.44 H new ATOM 0 HA LEU A 121 15.561 -5.118 -9.380 1.00 44.53 H new ATOM 0 HB2 LEU A 121 13.908 -7.649 -9.133 1.00 41.32 H new ATOM 0 HB3 LEU A 121 15.113 -7.185 -7.948 1.00 41.32 H new ATOM 0 HG LEU A 121 13.352 -6.291 -6.890 1.00 1.32 H new ATOM 0 HD11 LEU A 121 12.926 -3.928 -7.402 1.00 41.24 H new ATOM 0 HD12 LEU A 121 14.659 -4.329 -7.458 1.00 41.24 H new ATOM 0 HD13 LEU A 121 13.743 -4.128 -8.971 1.00 41.24 H new ATOM 0 HD21 LEU A 121 11.233 -5.614 -7.948 1.00 22.43 H new ATOM 0 HD22 LEU A 121 11.942 -5.931 -9.549 1.00 22.43 H new ATOM 0 HD23 LEU A 121 11.711 -7.268 -8.397 1.00 22.43 H new ATOM 430 N ARG A 122 16.098 -8.019 -10.891 1.00 73.40 N ATOM 431 CA ARG A 122 17.115 -8.973 -11.311 1.00 42.41 C ATOM 432 C ARG A 122 18.253 -8.283 -12.052 1.00 31.05 C ATOM 433 O ARG A 122 19.413 -8.477 -11.715 1.00 52.04 O ATOM 434 CB ARG A 122 16.487 -10.043 -12.203 1.00 72.32 C ATOM 435 CG ARG A 122 17.491 -11.008 -12.812 1.00 10.02 C ATOM 436 CD ARG A 122 17.494 -12.343 -12.084 1.00 33.22 C ATOM 437 NE ARG A 122 16.169 -12.968 -12.062 1.00 43.14 N ATOM 438 CZ ARG A 122 15.970 -14.286 -12.000 1.00 42.44 C ATOM 439 NH1 ARG A 122 17.008 -15.113 -11.994 1.00 31.42 N ATOM 440 NH2 ARG A 122 14.735 -14.775 -11.948 1.00 25.44 N ATOM 0 H ARG A 122 15.153 -8.258 -11.191 1.00 73.40 H new ATOM 0 HA ARG A 122 17.529 -9.439 -10.417 1.00 42.41 H new ATOM 0 HB2 ARG A 122 15.763 -10.610 -11.618 1.00 72.32 H new ATOM 0 HB3 ARG A 122 15.935 -9.554 -13.006 1.00 72.32 H new ATOM 0 HG2 ARG A 122 17.253 -11.167 -13.864 1.00 10.02 H new ATOM 0 HG3 ARG A 122 18.488 -10.569 -12.774 1.00 10.02 H new ATOM 0 HD2 ARG A 122 18.203 -13.016 -12.567 1.00 33.22 H new ATOM 0 HD3 ARG A 122 17.841 -12.196 -11.061 1.00 33.22 H new ATOM 0 HE ARG A 122 15.351 -12.360 -12.096 1.00 43.14 H new ATOM 0 HH11 ARG A 122 17.957 -14.741 -12.037 1.00 31.42 H new ATOM 0 HH12 ARG A 122 16.857 -16.121 -11.947 1.00 31.42 H new ATOM 0 HH21 ARG A 122 13.935 -14.142 -11.955 1.00 25.44 H new ATOM 0 HH22 ARG A 122 14.587 -15.783 -11.901 1.00 25.44 H new ATOM 454 N ASP A 123 17.915 -7.459 -13.034 1.00 40.54 N ATOM 455 CA ASP A 123 18.921 -6.804 -13.866 1.00 64.23 C ATOM 456 C ASP A 123 19.845 -5.913 -13.039 1.00 22.32 C ATOM 457 O ASP A 123 21.006 -5.717 -13.390 1.00 22.21 O ATOM 458 CB ASP A 123 18.244 -5.980 -14.962 1.00 31.12 C ATOM 459 CG ASP A 123 19.234 -5.296 -15.881 1.00 35.10 C ATOM 460 OD1 ASP A 123 19.744 -5.957 -16.809 1.00 43.54 O ATOM 461 OD2 ASP A 123 19.483 -4.087 -15.696 1.00 71.22 O ATOM 0 H ASP A 123 16.952 -7.227 -13.276 1.00 40.54 H new ATOM 0 HA ASP A 123 19.530 -7.584 -14.323 1.00 64.23 H new ATOM 0 HB2 ASP A 123 17.598 -6.630 -15.552 1.00 31.12 H new ATOM 0 HB3 ASP A 123 17.604 -5.228 -14.501 1.00 31.12 H new ATOM 466 N TYR A 124 19.340 -5.395 -11.932 1.00 23.31 N ATOM 467 CA TYR A 124 20.128 -4.512 -11.085 1.00 4.43 C ATOM 468 C TYR A 124 20.924 -5.306 -10.046 1.00 62.11 C ATOM 469 O TYR A 124 22.052 -4.952 -9.712 1.00 74.21 O ATOM 470 CB TYR A 124 19.213 -3.489 -10.401 1.00 62.14 C ATOM 471 CG TYR A 124 19.929 -2.536 -9.465 1.00 4.41 C ATOM 472 CD1 TYR A 124 19.590 -2.476 -8.119 1.00 14.12 C ATOM 473 CD2 TYR A 124 20.937 -1.697 -9.923 1.00 74.14 C ATOM 474 CE1 TYR A 124 20.234 -1.609 -7.257 1.00 12.02 C ATOM 475 CE2 TYR A 124 21.588 -0.828 -9.066 1.00 44.24 C ATOM 476 CZ TYR A 124 21.231 -0.787 -7.734 1.00 15.32 C ATOM 477 OH TYR A 124 21.875 0.079 -6.874 1.00 61.42 O ATOM 0 H TYR A 124 18.392 -5.569 -11.599 1.00 23.31 H new ATOM 0 HA TYR A 124 20.844 -3.982 -11.713 1.00 4.43 H new ATOM 0 HB2 TYR A 124 18.700 -2.909 -11.168 1.00 62.14 H new ATOM 0 HB3 TYR A 124 18.447 -4.023 -9.839 1.00 62.14 H new ATOM 0 HD1 TYR A 124 18.809 -3.118 -7.740 1.00 14.12 H new ATOM 0 HD2 TYR A 124 21.217 -1.724 -10.966 1.00 74.14 H new ATOM 0 HE1 TYR A 124 19.957 -1.576 -6.214 1.00 12.02 H new ATOM 0 HE2 TYR A 124 22.372 -0.185 -9.438 1.00 44.24 H new ATOM 0 HH TYR A 124 21.748 -0.223 -5.950 1.00 61.42 H new ATOM 487 N PHE A 125 20.353 -6.395 -9.557 1.00 60.31 N ATOM 488 CA PHE A 125 20.970 -7.147 -8.471 1.00 34.22 C ATOM 489 C PHE A 125 21.874 -8.274 -8.980 1.00 33.34 C ATOM 490 O PHE A 125 22.725 -8.775 -8.240 1.00 2.30 O ATOM 491 CB PHE A 125 19.887 -7.693 -7.539 1.00 45.14 C ATOM 492 CG PHE A 125 19.119 -6.610 -6.831 1.00 11.12 C ATOM 493 CD1 PHE A 125 17.739 -6.556 -6.909 1.00 13.31 C ATOM 494 CD2 PHE A 125 19.781 -5.636 -6.100 1.00 4.40 C ATOM 495 CE1 PHE A 125 17.033 -5.555 -6.271 1.00 2.14 C ATOM 496 CE2 PHE A 125 19.080 -4.634 -5.457 1.00 5.43 C ATOM 497 CZ PHE A 125 17.703 -4.593 -5.543 1.00 2.12 C ATOM 0 H PHE A 125 19.469 -6.778 -9.891 1.00 60.31 H new ATOM 0 HA PHE A 125 21.612 -6.463 -7.916 1.00 34.22 H new ATOM 0 HB2 PHE A 125 19.193 -8.304 -8.116 1.00 45.14 H new ATOM 0 HB3 PHE A 125 20.348 -8.347 -6.799 1.00 45.14 H new ATOM 0 HD1 PHE A 125 17.207 -7.306 -7.476 1.00 13.31 H new ATOM 0 HD2 PHE A 125 20.859 -5.661 -6.032 1.00 4.40 H new ATOM 0 HE1 PHE A 125 15.956 -5.525 -6.342 1.00 2.14 H new ATOM 0 HE2 PHE A 125 19.609 -3.884 -4.888 1.00 5.43 H new ATOM 0 HZ PHE A 125 17.152 -3.811 -5.042 1.00 2.12 H new ATOM 507 N GLU A 126 21.709 -8.659 -10.244 1.00 12.11 N ATOM 508 CA GLU A 126 22.550 -9.700 -10.844 1.00 70.01 C ATOM 509 C GLU A 126 24.015 -9.266 -10.882 1.00 65.14 C ATOM 510 O GLU A 126 24.923 -10.095 -10.953 1.00 32.15 O ATOM 511 CB GLU A 126 22.046 -10.055 -12.249 1.00 14.14 C ATOM 512 CG GLU A 126 21.995 -8.882 -13.222 1.00 72.32 C ATOM 513 CD GLU A 126 23.241 -8.758 -14.073 1.00 5.32 C ATOM 514 OE1 GLU A 126 24.008 -7.797 -13.880 1.00 60.25 O ATOM 515 OE2 GLU A 126 23.454 -9.623 -14.948 1.00 30.34 O ATOM 0 H GLU A 126 21.006 -8.270 -10.872 1.00 12.11 H new ATOM 0 HA GLU A 126 22.484 -10.593 -10.222 1.00 70.01 H new ATOM 0 HB2 GLU A 126 22.690 -10.828 -12.667 1.00 14.14 H new ATOM 0 HB3 GLU A 126 21.047 -10.483 -12.165 1.00 14.14 H new ATOM 0 HG2 GLU A 126 21.128 -8.996 -13.873 1.00 72.32 H new ATOM 0 HG3 GLU A 126 21.853 -7.959 -12.661 1.00 72.32 H new ATOM 522 N GLN A 127 24.230 -7.960 -10.826 1.00 70.12 N ATOM 523 CA GLN A 127 25.573 -7.401 -10.755 1.00 13.14 C ATOM 524 C GLN A 127 26.262 -7.814 -9.460 1.00 0.32 C ATOM 525 O GLN A 127 27.469 -8.055 -9.437 1.00 3.44 O ATOM 526 CB GLN A 127 25.514 -5.878 -10.824 1.00 31.55 C ATOM 527 CG GLN A 127 24.836 -5.354 -12.073 1.00 60.11 C ATOM 528 CD GLN A 127 24.600 -3.865 -12.016 1.00 52.50 C ATOM 529 OE1 GLN A 127 25.430 -3.070 -12.453 1.00 14.15 O ATOM 530 NE2 GLN A 127 23.479 -3.481 -11.441 1.00 53.14 N ATOM 0 H GLN A 127 23.486 -7.262 -10.828 1.00 70.12 H new ATOM 0 HA GLN A 127 26.142 -7.785 -11.601 1.00 13.14 H new ATOM 0 HB2 GLN A 127 24.984 -5.503 -9.948 1.00 31.55 H new ATOM 0 HB3 GLN A 127 26.528 -5.481 -10.777 1.00 31.55 H new ATOM 0 HG2 GLN A 127 25.450 -5.589 -12.942 1.00 60.11 H new ATOM 0 HG3 GLN A 127 23.883 -5.866 -12.208 1.00 60.11 H new ATOM 0 HE21 GLN A 127 22.820 -4.177 -11.093 1.00 53.14 H new ATOM 0 HE22 GLN A 127 23.270 -2.487 -11.344 1.00 53.14 H new ATOM 539 N TYR A 128 25.483 -7.899 -8.387 1.00 42.21 N ATOM 540 CA TYR A 128 26.027 -8.212 -7.070 1.00 14.12 C ATOM 541 C TYR A 128 26.247 -9.711 -6.909 1.00 24.13 C ATOM 542 O TYR A 128 27.012 -10.143 -6.046 1.00 44.14 O ATOM 543 CB TYR A 128 25.104 -7.707 -5.958 1.00 1.33 C ATOM 544 CG TYR A 128 24.857 -6.214 -5.974 1.00 34.30 C ATOM 545 CD1 TYR A 128 25.490 -5.392 -5.056 1.00 41.25 C ATOM 546 CD2 TYR A 128 23.986 -5.629 -6.887 1.00 11.01 C ATOM 547 CE1 TYR A 128 25.269 -4.034 -5.039 1.00 20.34 C ATOM 548 CE2 TYR A 128 23.761 -4.265 -6.882 1.00 72.23 C ATOM 549 CZ TYR A 128 24.405 -3.471 -5.955 1.00 42.30 C ATOM 550 OH TYR A 128 24.185 -2.113 -5.947 1.00 11.04 O ATOM 0 H TYR A 128 24.473 -7.756 -8.403 1.00 42.21 H new ATOM 0 HA TYR A 128 26.988 -7.704 -6.988 1.00 14.12 H new ATOM 0 HB2 TYR A 128 24.146 -8.221 -6.037 1.00 1.33 H new ATOM 0 HB3 TYR A 128 25.534 -7.981 -4.995 1.00 1.33 H new ATOM 0 HD1 TYR A 128 26.171 -5.826 -4.339 1.00 41.25 H new ATOM 0 HD2 TYR A 128 23.478 -6.249 -7.610 1.00 11.01 H new ATOM 0 HE1 TYR A 128 25.770 -3.412 -4.312 1.00 20.34 H new ATOM 0 HE2 TYR A 128 23.085 -3.823 -7.599 1.00 72.23 H new ATOM 0 HH TYR A 128 23.373 -1.910 -6.457 1.00 11.04 H new ATOM 560 N GLY A 129 25.559 -10.507 -7.716 1.00 4.41 N ATOM 561 CA GLY A 129 25.791 -11.938 -7.694 1.00 30.01 C ATOM 562 C GLY A 129 24.724 -12.723 -8.426 1.00 14.22 C ATOM 563 O GLY A 129 23.913 -12.153 -9.158 1.00 53.23 O ATOM 0 H GLY A 129 24.851 -10.192 -8.379 1.00 4.41 H new ATOM 0 HA2 GLY A 129 26.762 -12.150 -8.143 1.00 30.01 H new ATOM 0 HA3 GLY A 129 25.837 -12.277 -6.659 1.00 30.01 H new ATOM 567 N LYS A 130 24.730 -14.036 -8.227 1.00 44.14 N ATOM 568 CA LYS A 130 23.779 -14.915 -8.872 1.00 10.44 C ATOM 569 C LYS A 130 22.435 -14.882 -8.168 1.00 45.41 C ATOM 570 O LYS A 130 22.323 -15.194 -6.979 1.00 4.13 O ATOM 571 CB LYS A 130 24.324 -16.342 -8.915 1.00 74.00 C ATOM 572 CG LYS A 130 23.267 -17.381 -9.233 1.00 15.34 C ATOM 573 CD LYS A 130 23.876 -18.742 -9.513 1.00 3.21 C ATOM 574 CE LYS A 130 22.792 -19.757 -9.808 1.00 13.21 C ATOM 575 NZ LYS A 130 23.344 -21.105 -10.111 1.00 74.23 N ATOM 0 H LYS A 130 25.393 -14.513 -7.616 1.00 44.14 H new ATOM 0 HA LYS A 130 23.630 -14.562 -9.893 1.00 10.44 H new ATOM 0 HB2 LYS A 130 25.115 -16.399 -9.663 1.00 74.00 H new ATOM 0 HB3 LYS A 130 24.778 -16.579 -7.953 1.00 74.00 H new ATOM 0 HG2 LYS A 130 22.572 -17.460 -8.397 1.00 15.34 H new ATOM 0 HG3 LYS A 130 22.689 -17.057 -10.098 1.00 15.34 H new ATOM 0 HD2 LYS A 130 24.559 -18.674 -10.360 1.00 3.21 H new ATOM 0 HD3 LYS A 130 24.464 -19.068 -8.655 1.00 3.21 H new ATOM 0 HE2 LYS A 130 22.121 -19.826 -8.952 1.00 13.21 H new ATOM 0 HE3 LYS A 130 22.196 -19.413 -10.653 1.00 13.21 H new ATOM 0 HZ1 LYS A 130 22.563 -21.764 -10.306 1.00 74.23 H new ATOM 0 HZ2 LYS A 130 23.964 -21.047 -10.944 1.00 74.23 H new ATOM 0 HZ3 LYS A 130 23.891 -21.448 -9.295 1.00 74.23 H new ATOM 589 N ILE A 131 21.417 -14.508 -8.915 1.00 73.40 N ATOM 590 CA ILE A 131 20.071 -14.459 -8.396 1.00 55.02 C ATOM 591 C ILE A 131 19.347 -15.759 -8.703 1.00 35.11 C ATOM 592 O ILE A 131 19.417 -16.271 -9.819 1.00 41.11 O ATOM 593 CB ILE A 131 19.289 -13.286 -9.008 1.00 70.35 C ATOM 594 CG1 ILE A 131 20.049 -11.980 -8.788 1.00 24.22 C ATOM 595 CG2 ILE A 131 17.895 -13.204 -8.408 1.00 42.13 C ATOM 596 CD1 ILE A 131 19.337 -10.769 -9.337 1.00 44.33 C ATOM 0 H ILE A 131 21.501 -14.231 -9.893 1.00 73.40 H new ATOM 0 HA ILE A 131 20.130 -14.317 -7.317 1.00 55.02 H new ATOM 0 HB ILE A 131 19.187 -13.453 -10.080 1.00 70.35 H new ATOM 0 HG12 ILE A 131 20.215 -11.841 -7.720 1.00 24.22 H new ATOM 0 HG13 ILE A 131 21.031 -12.057 -9.255 1.00 24.22 H new ATOM 0 HG21 ILE A 131 17.356 -12.368 -8.853 1.00 42.13 H new ATOM 0 HG22 ILE A 131 17.357 -14.131 -8.609 1.00 42.13 H new ATOM 0 HG23 ILE A 131 17.971 -13.055 -7.331 1.00 42.13 H new ATOM 0 HD11 ILE A 131 19.934 -9.878 -9.145 1.00 44.33 H new ATOM 0 HD12 ILE A 131 19.195 -10.886 -10.411 1.00 44.33 H new ATOM 0 HD13 ILE A 131 18.366 -10.667 -8.852 1.00 44.33 H new ATOM 608 N GLU A 132 18.673 -16.300 -7.706 1.00 42.12 N ATOM 609 CA GLU A 132 17.887 -17.505 -7.887 1.00 64.01 C ATOM 610 C GLU A 132 16.559 -17.184 -8.572 1.00 74.13 C ATOM 611 O GLU A 132 16.359 -17.523 -9.736 1.00 24.01 O ATOM 612 CB GLU A 132 17.655 -18.195 -6.542 1.00 24.44 C ATOM 613 CG GLU A 132 18.888 -18.898 -6.006 1.00 72.23 C ATOM 614 CD GLU A 132 18.554 -20.005 -5.030 1.00 43.31 C ATOM 615 OE1 GLU A 132 18.108 -19.707 -3.902 1.00 64.40 O ATOM 616 OE2 GLU A 132 18.746 -21.187 -5.385 1.00 62.41 O ATOM 0 H GLU A 132 18.654 -15.922 -6.759 1.00 42.12 H new ATOM 0 HA GLU A 132 18.441 -18.188 -8.531 1.00 64.01 H new ATOM 0 HB2 GLU A 132 17.323 -17.454 -5.814 1.00 24.44 H new ATOM 0 HB3 GLU A 132 16.849 -18.921 -6.649 1.00 24.44 H new ATOM 0 HG2 GLU A 132 19.455 -19.313 -6.839 1.00 72.23 H new ATOM 0 HG3 GLU A 132 19.532 -18.169 -5.515 1.00 72.23 H new ATOM 623 N VAL A 133 15.668 -16.506 -7.857 1.00 63.43 N ATOM 624 CA VAL A 133 14.361 -16.140 -8.400 1.00 21.23 C ATOM 625 C VAL A 133 13.938 -14.767 -7.895 1.00 62.42 C ATOM 626 O VAL A 133 14.393 -14.320 -6.842 1.00 31.34 O ATOM 627 CB VAL A 133 13.261 -17.165 -8.022 1.00 32.21 C ATOM 628 CG1 VAL A 133 13.494 -18.502 -8.705 1.00 2.11 C ATOM 629 CG2 VAL A 133 13.184 -17.346 -6.511 1.00 35.21 C ATOM 0 H VAL A 133 15.826 -16.197 -6.898 1.00 63.43 H new ATOM 0 HA VAL A 133 14.468 -16.129 -9.485 1.00 21.23 H new ATOM 0 HB VAL A 133 12.308 -16.769 -8.372 1.00 32.21 H new ATOM 0 HG11 VAL A 133 12.706 -19.199 -8.419 1.00 2.11 H new ATOM 0 HG12 VAL A 133 13.483 -18.365 -9.786 1.00 2.11 H new ATOM 0 HG13 VAL A 133 14.461 -18.903 -8.400 1.00 2.11 H new ATOM 0 HG21 VAL A 133 12.405 -18.070 -6.270 1.00 35.21 H new ATOM 0 HG22 VAL A 133 14.143 -17.707 -6.139 1.00 35.21 H new ATOM 0 HG23 VAL A 133 12.949 -16.391 -6.042 1.00 35.21 H new ATOM 639 N ILE A 134 13.085 -14.089 -8.649 1.00 23.01 N ATOM 640 CA ILE A 134 12.524 -12.824 -8.197 1.00 13.11 C ATOM 641 C ILE A 134 11.063 -13.019 -7.824 1.00 11.25 C ATOM 642 O ILE A 134 10.223 -13.300 -8.680 1.00 62.55 O ATOM 643 CB ILE A 134 12.629 -11.717 -9.265 1.00 2.21 C ATOM 644 CG1 ILE A 134 14.043 -11.641 -9.840 1.00 62.44 C ATOM 645 CG2 ILE A 134 12.241 -10.369 -8.670 1.00 3.30 C ATOM 646 CD1 ILE A 134 15.086 -11.243 -8.831 1.00 24.13 C ATOM 0 H ILE A 134 12.768 -14.391 -9.570 1.00 23.01 H new ATOM 0 HA ILE A 134 13.104 -12.505 -7.331 1.00 13.11 H new ATOM 0 HB ILE A 134 11.940 -11.964 -10.073 1.00 2.21 H new ATOM 0 HG12 ILE A 134 14.308 -12.612 -10.259 1.00 62.44 H new ATOM 0 HG13 ILE A 134 14.053 -10.925 -10.662 1.00 62.44 H new ATOM 0 HG21 ILE A 134 12.320 -9.597 -9.436 1.00 3.30 H new ATOM 0 HG22 ILE A 134 11.215 -10.414 -8.305 1.00 3.30 H new ATOM 0 HG23 ILE A 134 12.910 -10.130 -7.843 1.00 3.30 H new ATOM 0 HD11 ILE A 134 16.064 -11.210 -9.312 1.00 24.13 H new ATOM 0 HD12 ILE A 134 14.846 -10.259 -8.429 1.00 24.13 H new ATOM 0 HD13 ILE A 134 15.105 -11.971 -8.020 1.00 24.13 H new ATOM 658 N GLU A 135 10.766 -12.888 -6.546 1.00 52.21 N ATOM 659 CA GLU A 135 9.417 -13.100 -6.059 1.00 62.15 C ATOM 660 C GLU A 135 8.651 -11.786 -6.029 1.00 54.03 C ATOM 661 O GLU A 135 8.825 -10.968 -5.126 1.00 11.33 O ATOM 662 CB GLU A 135 9.449 -13.739 -4.670 1.00 31.24 C ATOM 663 CG GLU A 135 10.083 -15.120 -4.659 1.00 70.15 C ATOM 664 CD GLU A 135 10.199 -15.707 -3.267 1.00 43.24 C ATOM 665 OE1 GLU A 135 10.871 -16.747 -3.109 1.00 4.41 O ATOM 666 OE2 GLU A 135 9.633 -15.129 -2.317 1.00 62.44 O ATOM 0 H GLU A 135 11.442 -12.635 -5.825 1.00 52.21 H new ATOM 0 HA GLU A 135 8.903 -13.780 -6.739 1.00 62.15 H new ATOM 0 HB2 GLU A 135 10.000 -13.088 -3.991 1.00 31.24 H new ATOM 0 HB3 GLU A 135 8.431 -13.811 -4.287 1.00 31.24 H new ATOM 0 HG2 GLU A 135 9.491 -15.791 -5.282 1.00 70.15 H new ATOM 0 HG3 GLU A 135 11.075 -15.062 -5.107 1.00 70.15 H new ATOM 673 N ILE A 136 7.829 -11.571 -7.043 1.00 25.42 N ATOM 674 CA ILE A 136 7.024 -10.366 -7.122 1.00 54.12 C ATOM 675 C ILE A 136 5.754 -10.546 -6.309 1.00 1.12 C ATOM 676 O ILE A 136 4.870 -11.313 -6.696 1.00 23.33 O ATOM 677 CB ILE A 136 6.641 -10.027 -8.576 1.00 64.31 C ATOM 678 CG1 ILE A 136 7.869 -10.075 -9.482 1.00 65.21 C ATOM 679 CG2 ILE A 136 5.988 -8.652 -8.649 1.00 32.45 C ATOM 680 CD1 ILE A 136 7.540 -9.847 -10.938 1.00 10.31 C ATOM 0 H ILE A 136 7.702 -12.216 -7.823 1.00 25.42 H new ATOM 0 HA ILE A 136 7.621 -9.545 -6.724 1.00 54.12 H new ATOM 0 HB ILE A 136 5.926 -10.773 -8.922 1.00 64.31 H new ATOM 0 HG12 ILE A 136 8.584 -9.320 -9.155 1.00 65.21 H new ATOM 0 HG13 ILE A 136 8.356 -11.044 -9.373 1.00 65.21 H new ATOM 0 HG21 ILE A 136 5.724 -8.429 -9.683 1.00 32.45 H new ATOM 0 HG22 ILE A 136 5.088 -8.644 -8.035 1.00 32.45 H new ATOM 0 HG23 ILE A 136 6.685 -7.898 -8.282 1.00 32.45 H new ATOM 0 HD11 ILE A 136 8.455 -9.893 -11.529 1.00 10.31 H new ATOM 0 HD12 ILE A 136 6.848 -10.617 -11.279 1.00 10.31 H new ATOM 0 HD13 ILE A 136 7.080 -8.866 -11.058 1.00 10.31 H new ATOM 692 N MET A 137 5.672 -9.867 -5.176 1.00 14.11 N ATOM 693 CA MET A 137 4.492 -9.964 -4.335 1.00 72.32 C ATOM 694 C MET A 137 3.311 -9.297 -5.022 1.00 64.34 C ATOM 695 O MET A 137 3.247 -8.070 -5.156 1.00 1.42 O ATOM 696 CB MET A 137 4.748 -9.356 -2.955 1.00 73.33 C ATOM 697 CG MET A 137 3.547 -9.437 -2.021 1.00 11.45 C ATOM 698 SD MET A 137 2.731 -11.047 -2.052 1.00 72.54 S ATOM 699 CE MET A 137 4.103 -12.140 -1.691 1.00 10.22 C ATOM 0 H MET A 137 6.401 -9.249 -4.821 1.00 14.11 H new ATOM 0 HA MET A 137 4.255 -11.017 -4.185 1.00 72.32 H new ATOM 0 HB2 MET A 137 5.592 -9.867 -2.493 1.00 73.33 H new ATOM 0 HB3 MET A 137 5.035 -8.311 -3.075 1.00 73.33 H new ATOM 0 HG2 MET A 137 3.871 -9.220 -1.003 1.00 11.45 H new ATOM 0 HG3 MET A 137 2.827 -8.666 -2.297 1.00 11.45 H new ATOM 0 HE1 MET A 137 3.763 -12.950 -1.046 1.00 10.22 H new ATOM 0 HE2 MET A 137 4.492 -12.556 -2.621 1.00 10.22 H new ATOM 0 HE3 MET A 137 4.891 -11.581 -1.187 1.00 10.22 H new ATOM 859 N PHE A 148 5.413 -4.222 -2.805 1.00 72.51 N ATOM 860 CA PHE A 148 6.813 -4.576 -2.623 1.00 10.43 C ATOM 861 C PHE A 148 7.149 -5.877 -3.346 1.00 14.53 C ATOM 862 O PHE A 148 6.252 -6.598 -3.792 1.00 4.24 O ATOM 863 CB PHE A 148 7.124 -4.700 -1.127 1.00 1.31 C ATOM 864 CG PHE A 148 6.162 -5.587 -0.378 1.00 1.13 C ATOM 865 CD1 PHE A 148 6.405 -6.943 -0.243 1.00 22.20 C ATOM 866 CD2 PHE A 148 5.012 -5.060 0.191 1.00 2.42 C ATOM 867 CE1 PHE A 148 5.524 -7.756 0.443 1.00 15.35 C ATOM 868 CE2 PHE A 148 4.128 -5.869 0.877 1.00 40.11 C ATOM 869 CZ PHE A 148 4.383 -7.219 1.003 1.00 25.10 C ATOM 0 HA PHE A 148 7.429 -3.787 -3.054 1.00 10.43 H new ATOM 0 HB2 PHE A 148 8.134 -5.092 -1.006 1.00 1.31 H new ATOM 0 HB3 PHE A 148 7.112 -3.706 -0.679 1.00 1.31 H new ATOM 0 HD1 PHE A 148 7.295 -7.371 -0.680 1.00 22.20 H new ATOM 0 HD2 PHE A 148 4.806 -4.004 0.096 1.00 2.42 H new ATOM 0 HE1 PHE A 148 5.728 -8.812 0.541 1.00 15.35 H new ATOM 0 HE2 PHE A 148 3.237 -5.445 1.315 1.00 40.11 H new ATOM 0 HZ PHE A 148 3.692 -7.853 1.538 1.00 25.10 H new ATOM 879 N ALA A 149 8.435 -6.175 -3.458 1.00 14.12 N ATOM 880 CA ALA A 149 8.882 -7.400 -4.104 1.00 25.11 C ATOM 881 C ALA A 149 10.104 -7.967 -3.397 1.00 1.13 C ATOM 882 O ALA A 149 10.664 -7.334 -2.498 1.00 2.10 O ATOM 883 CB ALA A 149 9.177 -7.156 -5.578 1.00 72.04 C ATOM 0 H ALA A 149 9.189 -5.583 -3.109 1.00 14.12 H new ATOM 0 HA ALA A 149 8.078 -8.133 -4.035 1.00 25.11 H new ATOM 0 HB1 ALA A 149 9.510 -8.085 -6.041 1.00 72.04 H new ATOM 0 HB2 ALA A 149 8.273 -6.805 -6.077 1.00 72.04 H new ATOM 0 HB3 ALA A 149 9.959 -6.403 -5.673 1.00 72.04 H new ATOM 889 N PHE A 150 10.518 -9.155 -3.811 1.00 12.14 N ATOM 890 CA PHE A 150 11.614 -9.856 -3.160 1.00 72.23 C ATOM 891 C PHE A 150 12.581 -10.404 -4.196 1.00 23.02 C ATOM 892 O PHE A 150 12.182 -10.759 -5.304 1.00 73.12 O ATOM 893 CB PHE A 150 11.086 -11.012 -2.304 1.00 33.22 C ATOM 894 CG PHE A 150 10.105 -10.592 -1.250 1.00 63.35 C ATOM 895 CD1 PHE A 150 8.743 -10.666 -1.488 1.00 2.13 C ATOM 896 CD2 PHE A 150 10.544 -10.124 -0.024 1.00 24.42 C ATOM 897 CE1 PHE A 150 7.838 -10.278 -0.524 1.00 32.32 C ATOM 898 CE2 PHE A 150 9.643 -9.735 0.945 1.00 41.15 C ATOM 899 CZ PHE A 150 8.288 -9.812 0.694 1.00 53.54 C ATOM 0 H PHE A 150 10.109 -9.656 -4.600 1.00 12.14 H new ATOM 0 HA PHE A 150 12.133 -9.144 -2.518 1.00 72.23 H new ATOM 0 HB2 PHE A 150 10.612 -11.746 -2.956 1.00 33.22 H new ATOM 0 HB3 PHE A 150 11.929 -11.509 -1.824 1.00 33.22 H new ATOM 0 HD1 PHE A 150 8.386 -11.032 -2.439 1.00 2.13 H new ATOM 0 HD2 PHE A 150 11.604 -10.063 0.176 1.00 24.42 H new ATOM 0 HE1 PHE A 150 6.778 -10.339 -0.722 1.00 32.32 H new ATOM 0 HE2 PHE A 150 9.997 -9.371 1.898 1.00 41.15 H new ATOM 0 HZ PHE A 150 7.580 -9.508 1.451 1.00 53.54 H new ATOM 909 N VAL A 151 13.850 -10.468 -3.833 1.00 74.03 N ATOM 910 CA VAL A 151 14.872 -10.995 -4.723 1.00 42.32 C ATOM 911 C VAL A 151 15.667 -12.086 -4.018 1.00 1.13 C ATOM 912 O VAL A 151 16.400 -11.811 -3.068 1.00 24.04 O ATOM 913 CB VAL A 151 15.832 -9.883 -5.198 1.00 42.24 C ATOM 914 CG1 VAL A 151 16.869 -10.428 -6.166 1.00 34.20 C ATOM 915 CG2 VAL A 151 15.056 -8.741 -5.836 1.00 33.02 C ATOM 0 H VAL A 151 14.199 -10.161 -2.925 1.00 74.03 H new ATOM 0 HA VAL A 151 14.370 -11.412 -5.596 1.00 42.32 H new ATOM 0 HB VAL A 151 16.357 -9.500 -4.323 1.00 42.24 H new ATOM 0 HG11 VAL A 151 17.530 -9.622 -6.483 1.00 34.20 H new ATOM 0 HG12 VAL A 151 17.454 -11.205 -5.673 1.00 34.20 H new ATOM 0 HG13 VAL A 151 16.367 -10.849 -7.037 1.00 34.20 H new ATOM 0 HG21 VAL A 151 15.751 -7.968 -6.164 1.00 33.02 H new ATOM 0 HG22 VAL A 151 14.498 -9.115 -6.694 1.00 33.02 H new ATOM 0 HG23 VAL A 151 14.363 -8.321 -5.108 1.00 33.02 H new ATOM 925 N THR A 152 15.494 -13.320 -4.466 1.00 51.43 N ATOM 926 CA THR A 152 16.201 -14.452 -3.889 1.00 3.30 C ATOM 927 C THR A 152 17.533 -14.669 -4.599 1.00 40.44 C ATOM 928 O THR A 152 17.577 -14.789 -5.817 1.00 2.43 O ATOM 929 CB THR A 152 15.365 -15.739 -3.999 1.00 4.00 C ATOM 930 OG1 THR A 152 14.048 -15.515 -3.485 1.00 50.14 O ATOM 931 CG2 THR A 152 16.021 -16.883 -3.240 1.00 0.54 C ATOM 0 H THR A 152 14.866 -13.563 -5.232 1.00 51.43 H new ATOM 0 HA THR A 152 16.377 -14.226 -2.837 1.00 3.30 H new ATOM 0 HB THR A 152 15.303 -16.012 -5.052 1.00 4.00 H new ATOM 0 HG1 THR A 152 13.820 -16.224 -2.848 1.00 50.14 H new ATOM 0 HG21 THR A 152 15.409 -17.780 -3.334 1.00 0.54 H new ATOM 0 HG22 THR A 152 17.011 -17.074 -3.654 1.00 0.54 H new ATOM 0 HG23 THR A 152 16.113 -16.616 -2.187 1.00 0.54 H new ATOM 939 N PHE A 153 18.607 -14.723 -3.836 1.00 40.10 N ATOM 940 CA PHE A 153 19.936 -14.940 -4.383 1.00 74.23 C ATOM 941 C PHE A 153 20.428 -16.336 -4.032 1.00 32.25 C ATOM 942 O PHE A 153 20.060 -16.888 -2.992 1.00 74.25 O ATOM 943 CB PHE A 153 20.916 -13.900 -3.837 1.00 11.13 C ATOM 944 CG PHE A 153 20.578 -12.487 -4.207 1.00 32.13 C ATOM 945 CD1 PHE A 153 21.112 -11.913 -5.347 1.00 61.42 C ATOM 946 CD2 PHE A 153 19.735 -11.731 -3.411 1.00 72.31 C ATOM 947 CE1 PHE A 153 20.810 -10.610 -5.686 1.00 75.34 C ATOM 948 CE2 PHE A 153 19.430 -10.429 -3.745 1.00 75.41 C ATOM 949 CZ PHE A 153 19.968 -9.869 -4.883 1.00 55.31 C ATOM 0 H PHE A 153 18.586 -14.618 -2.822 1.00 40.10 H new ATOM 0 HA PHE A 153 19.880 -14.840 -5.467 1.00 74.23 H new ATOM 0 HB2 PHE A 153 20.948 -13.982 -2.751 1.00 11.13 H new ATOM 0 HB3 PHE A 153 21.916 -14.131 -4.204 1.00 11.13 H new ATOM 0 HD1 PHE A 153 21.772 -12.490 -5.978 1.00 61.42 H new ATOM 0 HD2 PHE A 153 19.311 -12.166 -2.518 1.00 72.31 H new ATOM 0 HE1 PHE A 153 21.232 -10.171 -6.578 1.00 75.34 H new ATOM 0 HE2 PHE A 153 18.771 -9.849 -3.116 1.00 75.41 H new ATOM 0 HZ PHE A 153 19.730 -8.849 -5.147 1.00 55.31 H new ATOM 959 N ASP A 154 21.245 -16.906 -4.911 1.00 62.01 N ATOM 960 CA ASP A 154 21.847 -18.218 -4.667 1.00 45.30 C ATOM 961 C ASP A 154 22.776 -18.189 -3.457 1.00 35.44 C ATOM 962 O ASP A 154 22.949 -19.193 -2.765 1.00 70.43 O ATOM 963 CB ASP A 154 22.624 -18.681 -5.901 1.00 22.10 C ATOM 964 CG ASP A 154 23.422 -19.944 -5.648 1.00 23.30 C ATOM 965 OD1 ASP A 154 24.647 -19.846 -5.428 1.00 62.41 O ATOM 966 OD2 ASP A 154 22.833 -21.043 -5.673 1.00 14.44 O ATOM 0 H ASP A 154 21.508 -16.482 -5.801 1.00 62.01 H new ATOM 0 HA ASP A 154 21.039 -18.920 -4.461 1.00 45.30 H new ATOM 0 HB2 ASP A 154 21.927 -18.854 -6.721 1.00 22.10 H new ATOM 0 HB3 ASP A 154 23.299 -17.887 -6.220 1.00 22.10 H new ATOM 971 N ASP A 155 23.364 -17.034 -3.198 1.00 33.31 N ATOM 972 CA ASP A 155 24.326 -16.904 -2.110 1.00 50.22 C ATOM 973 C ASP A 155 24.013 -15.682 -1.262 1.00 64.32 C ATOM 974 O ASP A 155 23.527 -14.675 -1.774 1.00 54.34 O ATOM 975 CB ASP A 155 25.750 -16.786 -2.658 1.00 33.13 C ATOM 976 CG ASP A 155 26.794 -17.260 -1.667 1.00 52.53 C ATOM 977 OD1 ASP A 155 27.399 -18.328 -1.902 1.00 32.21 O ATOM 978 OD2 ASP A 155 27.005 -16.580 -0.641 1.00 31.22 O ATOM 0 H ASP A 155 23.196 -16.175 -3.721 1.00 33.31 H new ATOM 0 HA ASP A 155 24.253 -17.799 -1.492 1.00 50.22 H new ATOM 0 HB2 ASP A 155 25.833 -17.370 -3.575 1.00 33.13 H new ATOM 0 HB3 ASP A 155 25.949 -15.747 -2.922 1.00 33.13 H new ATOM 983 N HIS A 156 24.304 -15.773 0.030 1.00 65.43 N ATOM 984 CA HIS A 156 24.101 -14.654 0.939 1.00 13.15 C ATOM 985 C HIS A 156 25.144 -13.567 0.665 1.00 64.41 C ATOM 986 O HIS A 156 24.946 -12.400 1.001 1.00 11.41 O ATOM 987 CB HIS A 156 24.146 -15.148 2.406 1.00 1.35 C ATOM 988 CG HIS A 156 25.286 -14.616 3.235 1.00 32.32 C ATOM 989 ND1 HIS A 156 25.083 -13.662 4.202 1.00 73.01 N ATOM 990 CD2 HIS A 156 26.601 -14.937 3.202 1.00 20.42 C ATOM 991 CE1 HIS A 156 26.270 -13.425 4.731 1.00 41.12 C ATOM 992 NE2 HIS A 156 27.225 -14.174 4.157 1.00 51.42 N ATOM 0 H HIS A 156 24.682 -16.611 0.471 1.00 65.43 H new ATOM 0 HA HIS A 156 23.117 -14.216 0.772 1.00 13.15 H new ATOM 0 HB2 HIS A 156 23.209 -14.876 2.892 1.00 1.35 H new ATOM 0 HB3 HIS A 156 24.199 -16.237 2.403 1.00 1.35 H new ATOM 0 HD2 HIS A 156 27.070 -15.657 2.548 1.00 20.42 H new ATOM 0 HE1 HIS A 156 26.450 -12.717 5.526 1.00 41.12 H new ATOM 0 HE2 HIS A 156 28.219 -14.176 4.386 1.00 51.42 H new ATOM 1000 N ASP A 157 26.247 -13.966 0.032 1.00 20.53 N ATOM 1001 CA ASP A 157 27.323 -13.039 -0.311 1.00 40.42 C ATOM 1002 C ASP A 157 26.805 -11.915 -1.196 1.00 14.33 C ATOM 1003 O ASP A 157 27.028 -10.737 -0.918 1.00 2.15 O ATOM 1004 CB ASP A 157 28.462 -13.782 -1.019 1.00 13.22 C ATOM 1005 CG ASP A 157 29.407 -12.850 -1.755 1.00 43.10 C ATOM 1006 OD1 ASP A 157 29.330 -12.791 -3.002 1.00 74.21 O ATOM 1007 OD2 ASP A 157 30.225 -12.174 -1.099 1.00 42.44 O ATOM 0 H ASP A 157 26.418 -14.930 -0.254 1.00 20.53 H new ATOM 0 HA ASP A 157 27.705 -12.604 0.613 1.00 40.42 H new ATOM 0 HB2 ASP A 157 29.026 -14.357 -0.284 1.00 13.22 H new ATOM 0 HB3 ASP A 157 28.039 -14.496 -1.726 1.00 13.22 H new ATOM 1012 N SER A 158 26.096 -12.289 -2.253 1.00 11.31 N ATOM 1013 CA SER A 158 25.521 -11.328 -3.182 1.00 54.51 C ATOM 1014 C SER A 158 24.534 -10.404 -2.471 1.00 60.11 C ATOM 1015 O SER A 158 24.361 -9.245 -2.847 1.00 71.31 O ATOM 1016 CB SER A 158 24.821 -12.082 -4.307 1.00 22.01 C ATOM 1017 OG SER A 158 25.668 -13.092 -4.825 1.00 72.34 O ATOM 0 H SER A 158 25.904 -13.263 -2.489 1.00 11.31 H new ATOM 0 HA SER A 158 26.319 -10.710 -3.593 1.00 54.51 H new ATOM 0 HB2 SER A 158 23.898 -12.527 -3.936 1.00 22.01 H new ATOM 0 HB3 SER A 158 24.544 -11.388 -5.101 1.00 22.01 H new ATOM 0 HG SER A 158 25.149 -13.689 -5.404 1.00 72.34 H new ATOM 1023 N VAL A 159 23.918 -10.927 -1.423 1.00 52.54 N ATOM 1024 CA VAL A 159 22.918 -10.196 -0.663 1.00 64.25 C ATOM 1025 C VAL A 159 23.566 -9.128 0.211 1.00 4.21 C ATOM 1026 O VAL A 159 23.034 -8.027 0.356 1.00 61.23 O ATOM 1027 CB VAL A 159 22.112 -11.158 0.233 1.00 2.21 C ATOM 1028 CG1 VAL A 159 20.932 -10.462 0.876 1.00 74.52 C ATOM 1029 CG2 VAL A 159 21.650 -12.363 -0.564 1.00 31.33 C ATOM 0 H VAL A 159 24.097 -11.869 -1.076 1.00 52.54 H new ATOM 0 HA VAL A 159 22.250 -9.714 -1.377 1.00 64.25 H new ATOM 0 HB VAL A 159 22.771 -11.497 1.032 1.00 2.21 H new ATOM 0 HG11 VAL A 159 20.387 -11.171 1.500 1.00 74.52 H new ATOM 0 HG12 VAL A 159 21.288 -9.636 1.491 1.00 74.52 H new ATOM 0 HG13 VAL A 159 20.269 -10.078 0.100 1.00 74.52 H new ATOM 0 HG21 VAL A 159 21.083 -13.032 0.083 1.00 31.33 H new ATOM 0 HG22 VAL A 159 21.018 -12.033 -1.388 1.00 31.33 H new ATOM 0 HG23 VAL A 159 22.517 -12.891 -0.961 1.00 31.33 H new ATOM 1039 N ASP A 160 24.731 -9.447 0.767 1.00 64.01 N ATOM 1040 CA ASP A 160 25.383 -8.577 1.744 1.00 62.22 C ATOM 1041 C ASP A 160 25.716 -7.209 1.159 1.00 15.51 C ATOM 1042 O ASP A 160 25.556 -6.191 1.827 1.00 51.44 O ATOM 1043 CB ASP A 160 26.650 -9.231 2.301 1.00 10.42 C ATOM 1044 CG ASP A 160 27.273 -8.412 3.418 1.00 72.00 C ATOM 1045 OD1 ASP A 160 26.785 -8.495 4.567 1.00 71.23 O ATOM 1046 OD2 ASP A 160 28.253 -7.683 3.155 1.00 2.04 O ATOM 0 H ASP A 160 25.245 -10.303 0.558 1.00 64.01 H new ATOM 0 HA ASP A 160 24.673 -8.429 2.558 1.00 62.22 H new ATOM 0 HB2 ASP A 160 26.410 -10.227 2.673 1.00 10.42 H new ATOM 0 HB3 ASP A 160 27.375 -9.358 1.497 1.00 10.42 H new ATOM 1051 N LYS A 161 26.149 -7.186 -0.095 1.00 51.24 N ATOM 1052 CA LYS A 161 26.501 -5.930 -0.764 1.00 3.51 C ATOM 1053 C LYS A 161 25.271 -5.054 -0.952 1.00 52.42 C ATOM 1054 O LYS A 161 25.375 -3.849 -1.177 1.00 64.13 O ATOM 1055 CB LYS A 161 27.115 -6.213 -2.132 1.00 10.23 C ATOM 1056 CG LYS A 161 28.208 -7.261 -2.104 1.00 64.42 C ATOM 1057 CD LYS A 161 27.896 -8.422 -3.027 1.00 73.25 C ATOM 1058 CE LYS A 161 29.000 -9.466 -2.982 1.00 54.24 C ATOM 1059 NZ LYS A 161 28.924 -10.417 -4.121 1.00 22.03 N ATOM 0 H LYS A 161 26.266 -8.019 -0.672 1.00 51.24 H new ATOM 0 HA LYS A 161 27.222 -5.409 -0.135 1.00 3.51 H new ATOM 0 HB2 LYS A 161 26.329 -6.539 -2.813 1.00 10.23 H new ATOM 0 HB3 LYS A 161 27.523 -5.286 -2.536 1.00 10.23 H new ATOM 0 HG2 LYS A 161 29.155 -6.807 -2.397 1.00 64.42 H new ATOM 0 HG3 LYS A 161 28.333 -7.629 -1.086 1.00 64.42 H new ATOM 0 HD2 LYS A 161 26.949 -8.877 -2.738 1.00 73.25 H new ATOM 0 HD3 LYS A 161 27.776 -8.058 -4.047 1.00 73.25 H new ATOM 0 HE2 LYS A 161 29.969 -8.967 -2.992 1.00 54.24 H new ATOM 0 HE3 LYS A 161 28.936 -10.019 -2.045 1.00 54.24 H new ATOM 0 HZ1 LYS A 161 28.650 -11.357 -3.771 1.00 22.03 H new ATOM 0 HZ2 LYS A 161 28.216 -10.083 -4.806 1.00 22.03 H new ATOM 0 HZ3 LYS A 161 29.853 -10.478 -4.585 1.00 22.03 H new ATOM 1073 N ILE A 162 24.112 -5.676 -0.861 1.00 21.34 N ATOM 1074 CA ILE A 162 22.857 -4.997 -1.096 1.00 53.04 C ATOM 1075 C ILE A 162 22.201 -4.590 0.216 1.00 41.10 C ATOM 1076 O ILE A 162 21.829 -3.436 0.395 1.00 75.11 O ATOM 1077 CB ILE A 162 21.908 -5.908 -1.894 1.00 60.52 C ATOM 1078 CG1 ILE A 162 22.522 -6.223 -3.255 1.00 33.23 C ATOM 1079 CG2 ILE A 162 20.544 -5.261 -2.055 1.00 0.22 C ATOM 1080 CD1 ILE A 162 21.802 -7.314 -4.007 1.00 3.21 C ATOM 0 H ILE A 162 24.016 -6.663 -0.623 1.00 21.34 H new ATOM 0 HA ILE A 162 23.062 -4.094 -1.671 1.00 53.04 H new ATOM 0 HB ILE A 162 21.770 -6.839 -1.344 1.00 60.52 H new ATOM 0 HG12 ILE A 162 22.525 -5.317 -3.861 1.00 33.23 H new ATOM 0 HG13 ILE A 162 23.563 -6.516 -3.115 1.00 33.23 H new ATOM 0 HG21 ILE A 162 19.891 -5.924 -2.622 1.00 0.22 H new ATOM 0 HG22 ILE A 162 20.110 -5.078 -1.072 1.00 0.22 H new ATOM 0 HG23 ILE A 162 20.650 -4.315 -2.586 1.00 0.22 H new ATOM 0 HD11 ILE A 162 22.295 -7.483 -4.964 1.00 3.21 H new ATOM 0 HD12 ILE A 162 21.822 -8.233 -3.422 1.00 3.21 H new ATOM 0 HD13 ILE A 162 20.768 -7.016 -4.179 1.00 3.21 H new ATOM 1092 N VAL A 163 22.098 -5.538 1.138 1.00 73.41 N ATOM 1093 CA VAL A 163 21.379 -5.326 2.391 1.00 41.02 C ATOM 1094 C VAL A 163 22.069 -4.308 3.303 1.00 42.23 C ATOM 1095 O VAL A 163 21.448 -3.781 4.224 1.00 52.03 O ATOM 1096 CB VAL A 163 21.184 -6.649 3.162 1.00 22.31 C ATOM 1097 CG1 VAL A 163 20.256 -7.585 2.404 1.00 53.30 C ATOM 1098 CG2 VAL A 163 22.521 -7.326 3.422 1.00 41.30 C ATOM 0 H VAL A 163 22.506 -6.468 1.042 1.00 73.41 H new ATOM 0 HA VAL A 163 20.406 -4.924 2.109 1.00 41.02 H new ATOM 0 HB VAL A 163 20.725 -6.413 4.122 1.00 22.31 H new ATOM 0 HG11 VAL A 163 20.134 -8.511 2.967 1.00 53.30 H new ATOM 0 HG12 VAL A 163 19.284 -7.108 2.275 1.00 53.30 H new ATOM 0 HG13 VAL A 163 20.684 -7.808 1.427 1.00 53.30 H new ATOM 0 HG21 VAL A 163 22.358 -8.256 3.966 1.00 41.30 H new ATOM 0 HG22 VAL A 163 23.010 -7.542 2.472 1.00 41.30 H new ATOM 0 HG23 VAL A 163 23.154 -6.665 4.014 1.00 41.30 H new ATOM 1108 N ILE A 164 23.348 -4.045 3.057 1.00 33.21 N ATOM 1109 CA ILE A 164 24.077 -3.046 3.838 1.00 14.21 C ATOM 1110 C ILE A 164 23.578 -1.639 3.530 1.00 20.01 C ATOM 1111 O ILE A 164 23.611 -0.752 4.384 1.00 60.33 O ATOM 1112 CB ILE A 164 25.604 -3.126 3.605 1.00 52.31 C ATOM 1113 CG1 ILE A 164 25.938 -3.199 2.109 1.00 11.44 C ATOM 1114 CG2 ILE A 164 26.189 -4.320 4.342 1.00 42.34 C ATOM 1115 CD1 ILE A 164 26.287 -1.867 1.483 1.00 53.23 C ATOM 0 H ILE A 164 23.899 -4.503 2.331 1.00 33.21 H new ATOM 0 HA ILE A 164 23.886 -3.269 4.888 1.00 14.21 H new ATOM 0 HB ILE A 164 26.053 -2.215 4.001 1.00 52.31 H new ATOM 0 HG12 ILE A 164 26.775 -3.883 1.969 1.00 11.44 H new ATOM 0 HG13 ILE A 164 25.086 -3.624 1.579 1.00 11.44 H new ATOM 0 HG21 ILE A 164 27.264 -4.363 4.169 1.00 42.34 H new ATOM 0 HG22 ILE A 164 25.997 -4.218 5.410 1.00 42.34 H new ATOM 0 HG23 ILE A 164 25.725 -5.236 3.976 1.00 42.34 H new ATOM 0 HD11 ILE A 164 26.509 -2.009 0.425 1.00 53.23 H new ATOM 0 HD12 ILE A 164 25.444 -1.184 1.588 1.00 53.23 H new ATOM 0 HD13 ILE A 164 27.159 -1.447 1.984 1.00 53.23 H new ATOM 1127 N GLN A 165 23.098 -1.447 2.314 1.00 74.52 N ATOM 1128 CA GLN A 165 22.577 -0.158 1.895 1.00 72.45 C ATOM 1129 C GLN A 165 21.061 -0.227 1.773 1.00 61.12 C ATOM 1130 O GLN A 165 20.511 -1.253 1.385 1.00 61.14 O ATOM 1131 CB GLN A 165 23.207 0.256 0.565 1.00 53.23 C ATOM 1132 CG GLN A 165 22.804 1.645 0.101 1.00 4.15 C ATOM 1133 CD GLN A 165 23.474 2.036 -1.200 1.00 43.21 C ATOM 1134 OE1 GLN A 165 24.559 2.618 -1.205 1.00 25.12 O ATOM 1135 NE2 GLN A 165 22.834 1.713 -2.309 1.00 53.31 N ATOM 0 H GLN A 165 23.058 -2.171 1.597 1.00 74.52 H new ATOM 0 HA GLN A 165 22.832 0.592 2.644 1.00 72.45 H new ATOM 0 HB2 GLN A 165 24.292 0.215 0.660 1.00 53.23 H new ATOM 0 HB3 GLN A 165 22.926 -0.468 -0.200 1.00 53.23 H new ATOM 0 HG2 GLN A 165 21.722 1.683 -0.025 1.00 4.15 H new ATOM 0 HG3 GLN A 165 23.061 2.372 0.872 1.00 4.15 H new ATOM 0 HE21 GLN A 165 21.937 1.231 -2.258 1.00 53.31 H new ATOM 0 HE22 GLN A 165 23.237 1.946 -3.217 1.00 53.31 H new ATOM 1144 N LYS A 166 20.389 0.860 2.113 1.00 74.41 N ATOM 1145 CA LYS A 166 18.937 0.891 2.090 1.00 13.32 C ATOM 1146 C LYS A 166 18.420 1.428 0.764 1.00 21.22 C ATOM 1147 O LYS A 166 17.767 0.716 0.010 1.00 51.23 O ATOM 1148 CB LYS A 166 18.417 1.731 3.260 1.00 74.43 C ATOM 1149 CG LYS A 166 16.912 1.940 3.265 1.00 43.42 C ATOM 1150 CD LYS A 166 16.462 2.583 4.564 1.00 61.44 C ATOM 1151 CE LYS A 166 14.965 2.850 4.582 1.00 15.20 C ATOM 1152 NZ LYS A 166 14.518 3.368 5.900 1.00 31.01 N ATOM 0 H LYS A 166 20.826 1.733 2.408 1.00 74.41 H new ATOM 0 HA LYS A 166 18.566 -0.128 2.196 1.00 13.32 H new ATOM 0 HB2 LYS A 166 18.707 1.250 4.194 1.00 74.43 H new ATOM 0 HB3 LYS A 166 18.906 2.705 3.238 1.00 74.43 H new ATOM 0 HG2 LYS A 166 16.625 2.570 2.423 1.00 43.42 H new ATOM 0 HG3 LYS A 166 16.407 0.983 3.133 1.00 43.42 H new ATOM 0 HD2 LYS A 166 16.724 1.933 5.399 1.00 61.44 H new ATOM 0 HD3 LYS A 166 16.999 3.521 4.709 1.00 61.44 H new ATOM 0 HE2 LYS A 166 14.714 3.570 3.803 1.00 15.20 H new ATOM 0 HE3 LYS A 166 14.428 1.930 4.351 1.00 15.20 H new ATOM 0 HZ1 LYS A 166 13.492 3.539 5.876 1.00 31.01 H new ATOM 0 HZ2 LYS A 166 14.736 2.670 6.639 1.00 31.01 H new ATOM 0 HZ3 LYS A 166 15.013 4.259 6.109 1.00 31.01 H new ATOM 1166 N TYR A 167 18.715 2.681 0.478 1.00 73.44 N ATOM 1167 CA TYR A 167 18.215 3.313 -0.729 1.00 74.31 C ATOM 1168 C TYR A 167 19.093 2.980 -1.931 1.00 54.00 C ATOM 1169 O TYR A 167 20.215 3.475 -2.056 1.00 52.00 O ATOM 1170 CB TYR A 167 18.122 4.824 -0.526 1.00 54.41 C ATOM 1171 CG TYR A 167 17.262 5.215 0.655 1.00 22.11 C ATOM 1172 CD1 TYR A 167 17.669 6.206 1.538 1.00 63.21 C ATOM 1173 CD2 TYR A 167 16.046 4.584 0.892 1.00 72.32 C ATOM 1174 CE1 TYR A 167 16.890 6.561 2.621 1.00 62.11 C ATOM 1175 CE2 TYR A 167 15.261 4.936 1.972 1.00 22.00 C ATOM 1176 CZ TYR A 167 15.686 5.924 2.833 1.00 51.32 C ATOM 1177 OH TYR A 167 14.909 6.270 3.915 1.00 35.31 O ATOM 0 H TYR A 167 19.297 3.281 1.063 1.00 73.44 H new ATOM 0 HA TYR A 167 17.218 2.924 -0.934 1.00 74.31 H new ATOM 0 HB2 TYR A 167 19.125 5.228 -0.386 1.00 54.41 H new ATOM 0 HB3 TYR A 167 17.717 5.281 -1.429 1.00 54.41 H new ATOM 0 HD1 TYR A 167 18.611 6.708 1.375 1.00 63.21 H new ATOM 0 HD2 TYR A 167 15.710 3.807 0.221 1.00 72.32 H new ATOM 0 HE1 TYR A 167 17.222 7.334 3.299 1.00 62.11 H new ATOM 0 HE2 TYR A 167 14.317 4.439 2.141 1.00 22.00 H new ATOM 0 HH TYR A 167 14.093 5.727 3.919 1.00 35.31 H new ATOM 1187 N HIS A 168 18.574 2.124 -2.803 1.00 52.13 N ATOM 1188 CA HIS A 168 19.275 1.723 -4.018 1.00 11.02 C ATOM 1189 C HIS A 168 18.636 2.375 -5.237 1.00 43.04 C ATOM 1190 O HIS A 168 17.558 2.962 -5.142 1.00 4.44 O ATOM 1191 CB HIS A 168 19.253 0.199 -4.184 1.00 52.12 C ATOM 1192 CG HIS A 168 20.201 -0.534 -3.286 1.00 23.10 C ATOM 1193 ND1 HIS A 168 21.399 -1.019 -3.755 1.00 41.44 N ATOM 1194 CD2 HIS A 168 20.072 -0.865 -1.979 1.00 63.31 C ATOM 1195 CE1 HIS A 168 21.968 -1.632 -2.731 1.00 2.44 C ATOM 1196 NE2 HIS A 168 21.200 -1.564 -1.633 1.00 13.13 N ATOM 0 H HIS A 168 17.658 1.689 -2.689 1.00 52.13 H new ATOM 0 HA HIS A 168 20.310 2.053 -3.932 1.00 11.02 H new ATOM 0 HB2 HIS A 168 18.241 -0.160 -3.995 1.00 52.12 H new ATOM 0 HB3 HIS A 168 19.490 -0.045 -5.220 1.00 52.12 H new ATOM 0 HD2 HIS A 168 19.240 -0.625 -1.333 1.00 63.31 H new ATOM 0 HE1 HIS A 168 22.928 -2.125 -2.773 1.00 2.44 H new ATOM 0 HE2 HIS A 168 21.414 -1.957 -0.716 1.00 13.13 H new ATOM 1204 N THR A 169 19.293 2.261 -6.381 1.00 1.45 N ATOM 1205 CA THR A 169 18.779 2.842 -7.610 1.00 22.24 C ATOM 1206 C THR A 169 18.427 1.748 -8.612 1.00 1.03 C ATOM 1207 O THR A 169 19.293 1.253 -9.328 1.00 62.43 O ATOM 1208 CB THR A 169 19.805 3.798 -8.252 1.00 70.11 C ATOM 1209 OG1 THR A 169 20.437 4.590 -7.237 1.00 53.54 O ATOM 1210 CG2 THR A 169 19.135 4.714 -9.266 1.00 25.52 C ATOM 0 H THR A 169 20.182 1.772 -6.483 1.00 1.45 H new ATOM 0 HA THR A 169 17.884 3.407 -7.351 1.00 22.24 H new ATOM 0 HB THR A 169 20.554 3.196 -8.767 1.00 70.11 H new ATOM 0 HG1 THR A 169 21.088 5.194 -7.651 1.00 53.54 H new ATOM 0 HG21 THR A 169 19.880 5.378 -9.704 1.00 25.52 H new ATOM 0 HG22 THR A 169 18.677 4.113 -10.052 1.00 25.52 H new ATOM 0 HG23 THR A 169 18.368 5.307 -8.769 1.00 25.52 H new ATOM 1218 N VAL A 170 17.165 1.360 -8.643 1.00 4.33 N ATOM 1219 CA VAL A 170 16.702 0.346 -9.579 1.00 52.22 C ATOM 1220 C VAL A 170 15.576 0.914 -10.433 1.00 71.30 C ATOM 1221 O VAL A 170 14.734 1.659 -9.933 1.00 61.42 O ATOM 1222 CB VAL A 170 16.242 -0.943 -8.850 1.00 24.11 C ATOM 1223 CG1 VAL A 170 15.171 -0.640 -7.815 1.00 71.42 C ATOM 1224 CG2 VAL A 170 15.754 -1.992 -9.843 1.00 22.14 C ATOM 0 H VAL A 170 16.439 1.731 -8.030 1.00 4.33 H new ATOM 0 HA VAL A 170 17.537 0.069 -10.222 1.00 52.22 H new ATOM 0 HB VAL A 170 17.107 -1.350 -8.327 1.00 24.11 H new ATOM 0 HG11 VAL A 170 14.870 -1.564 -7.322 1.00 71.42 H new ATOM 0 HG12 VAL A 170 15.567 0.054 -7.074 1.00 71.42 H new ATOM 0 HG13 VAL A 170 14.307 -0.193 -8.306 1.00 71.42 H new ATOM 0 HG21 VAL A 170 15.438 -2.885 -9.303 1.00 22.14 H new ATOM 0 HG22 VAL A 170 14.912 -1.593 -10.409 1.00 22.14 H new ATOM 0 HG23 VAL A 170 16.562 -2.249 -10.527 1.00 22.14 H new ATOM 1234 N ASN A 171 15.613 0.615 -11.735 1.00 42.44 N ATOM 1235 CA ASN A 171 14.618 1.113 -12.690 1.00 75.13 C ATOM 1236 C ASN A 171 14.784 2.627 -12.900 1.00 63.04 C ATOM 1237 O ASN A 171 14.059 3.256 -13.674 1.00 52.54 O ATOM 1238 CB ASN A 171 13.198 0.749 -12.209 1.00 75.43 C ATOM 1239 CG ASN A 171 12.089 1.326 -13.071 1.00 23.11 C ATOM 1240 OD1 ASN A 171 11.569 2.402 -12.790 1.00 24.55 O ATOM 1241 ND2 ASN A 171 11.716 0.617 -14.120 1.00 50.41 N ATOM 0 H ASN A 171 16.330 0.024 -12.155 1.00 42.44 H new ATOM 0 HA ASN A 171 14.775 0.634 -13.657 1.00 75.13 H new ATOM 0 HB2 ASN A 171 13.100 -0.336 -12.187 1.00 75.43 H new ATOM 0 HB3 ASN A 171 13.070 1.102 -11.186 1.00 75.43 H new ATOM 0 HD21 ASN A 171 10.972 0.959 -14.729 1.00 50.41 H new ATOM 0 HD22 ASN A 171 12.171 -0.273 -14.322 1.00 50.41 H new ATOM 1248 N GLY A 172 15.784 3.196 -12.241 1.00 72.33 N ATOM 1249 CA GLY A 172 16.005 4.624 -12.309 1.00 13.41 C ATOM 1250 C GLY A 172 15.288 5.351 -11.192 1.00 54.03 C ATOM 1251 O GLY A 172 15.138 6.574 -11.226 1.00 55.23 O ATOM 0 H GLY A 172 16.449 2.689 -11.657 1.00 72.33 H new ATOM 0 HA2 GLY A 172 17.074 4.831 -12.252 1.00 13.41 H new ATOM 0 HA3 GLY A 172 15.658 5.001 -13.271 1.00 13.41 H new ATOM 1255 N HIS A 173 14.833 4.591 -10.208 1.00 43.33 N ATOM 1256 CA HIS A 173 14.128 5.148 -9.067 1.00 54.20 C ATOM 1257 C HIS A 173 14.840 4.764 -7.773 1.00 70.41 C ATOM 1258 O HIS A 173 15.425 3.683 -7.671 1.00 74.11 O ATOM 1259 CB HIS A 173 12.675 4.647 -9.054 1.00 4.42 C ATOM 1260 CG HIS A 173 11.837 5.218 -7.949 1.00 32.31 C ATOM 1261 ND1 HIS A 173 11.370 4.432 -6.926 1.00 71.12 N ATOM 1262 CD2 HIS A 173 11.405 6.488 -7.762 1.00 21.54 C ATOM 1263 CE1 HIS A 173 10.669 5.232 -6.144 1.00 32.04 C ATOM 1264 NE2 HIS A 173 10.661 6.490 -6.608 1.00 3.30 N ATOM 0 H HIS A 173 14.942 3.577 -10.179 1.00 43.33 H new ATOM 0 HA HIS A 173 14.120 6.235 -9.147 1.00 54.20 H new ATOM 0 HB2 HIS A 173 12.210 4.890 -10.010 1.00 4.42 H new ATOM 0 HB3 HIS A 173 12.678 3.560 -8.968 1.00 4.42 H new ATOM 0 HD2 HIS A 173 11.607 7.337 -8.399 1.00 21.54 H new ATOM 0 HE1 HIS A 173 10.165 4.913 -5.243 1.00 32.04 H new ATOM 0 HE2 HIS A 173 10.193 7.292 -6.186 1.00 3.30 H new ATOM 1272 N ASN A 174 14.820 5.669 -6.806 1.00 43.22 N ATOM 1273 CA ASN A 174 15.390 5.402 -5.495 1.00 55.24 C ATOM 1274 C ASN A 174 14.413 4.595 -4.651 1.00 73.22 C ATOM 1275 O ASN A 174 13.402 5.120 -4.178 1.00 61.12 O ATOM 1276 CB ASN A 174 15.746 6.715 -4.787 1.00 53.23 C ATOM 1277 CG ASN A 174 16.294 6.494 -3.388 1.00 31.42 C ATOM 1278 OD1 ASN A 174 17.491 6.279 -3.210 1.00 14.44 O ATOM 1279 ND2 ASN A 174 15.431 6.567 -2.389 1.00 15.33 N ATOM 0 H ASN A 174 14.413 6.599 -6.906 1.00 43.22 H new ATOM 0 HA ASN A 174 16.303 4.821 -5.625 1.00 55.24 H new ATOM 0 HB2 ASN A 174 16.483 7.255 -5.381 1.00 53.23 H new ATOM 0 HB3 ASN A 174 14.858 7.345 -4.730 1.00 53.23 H new ATOM 0 HD21 ASN A 174 15.751 6.443 -1.428 1.00 15.33 H new ATOM 0 HD22 ASN A 174 14.445 6.747 -2.579 1.00 15.33 H new ATOM 1286 N CYS A 175 14.711 3.318 -4.477 1.00 40.11 N ATOM 1287 CA CYS A 175 13.850 2.431 -3.713 1.00 40.40 C ATOM 1288 C CYS A 175 14.571 1.942 -2.463 1.00 24.25 C ATOM 1289 O CYS A 175 15.791 2.083 -2.346 1.00 30.30 O ATOM 1290 CB CYS A 175 13.426 1.239 -4.572 1.00 24.11 C ATOM 1291 SG CYS A 175 12.795 1.692 -6.207 1.00 72.20 S ATOM 0 H CYS A 175 15.546 2.871 -4.856 1.00 40.11 H new ATOM 0 HA CYS A 175 12.960 2.984 -3.412 1.00 40.40 H new ATOM 0 HB2 CYS A 175 14.280 0.573 -4.696 1.00 24.11 H new ATOM 0 HB3 CYS A 175 12.658 0.677 -4.041 1.00 24.11 H new ATOM 0 HG CYS A 175 12.270 2.880 -6.156 1.00 72.20 H new ATOM 1297 N GLU A 176 13.821 1.368 -1.535 1.00 71.20 N ATOM 1298 CA GLU A 176 14.388 0.871 -0.293 1.00 53.33 C ATOM 1299 C GLU A 176 14.612 -0.634 -0.366 1.00 32.34 C ATOM 1300 O GLU A 176 13.749 -1.381 -0.828 1.00 3.20 O ATOM 1301 CB GLU A 176 13.470 1.203 0.882 1.00 35.14 C ATOM 1302 CG GLU A 176 13.850 0.491 2.170 1.00 64.24 C ATOM 1303 CD GLU A 176 12.720 0.448 3.172 1.00 11.15 C ATOM 1304 OE1 GLU A 176 11.569 0.222 2.763 1.00 71.02 O ATOM 1305 OE2 GLU A 176 12.985 0.614 4.382 1.00 43.34 O ATOM 0 H GLU A 176 12.813 1.235 -1.620 1.00 71.20 H new ATOM 0 HA GLU A 176 15.350 1.360 -0.141 1.00 53.33 H new ATOM 0 HB2 GLU A 176 13.487 2.279 1.053 1.00 35.14 H new ATOM 0 HB3 GLU A 176 12.446 0.938 0.619 1.00 35.14 H new ATOM 0 HG2 GLU A 176 14.162 -0.527 1.938 1.00 64.24 H new ATOM 0 HG3 GLU A 176 14.707 0.993 2.618 1.00 64.24 H new ATOM 1312 N VAL A 177 15.778 -1.066 0.079 1.00 11.41 N ATOM 1313 CA VAL A 177 16.103 -2.474 0.139 1.00 42.34 C ATOM 1314 C VAL A 177 16.563 -2.857 1.541 1.00 3.50 C ATOM 1315 O VAL A 177 17.411 -2.190 2.133 1.00 75.42 O ATOM 1316 CB VAL A 177 17.201 -2.845 -0.876 1.00 10.12 C ATOM 1317 CG1 VAL A 177 17.540 -4.319 -0.776 1.00 53.44 C ATOM 1318 CG2 VAL A 177 16.771 -2.491 -2.292 1.00 2.32 C ATOM 0 H VAL A 177 16.522 -0.451 0.407 1.00 11.41 H new ATOM 0 HA VAL A 177 15.197 -3.026 -0.113 1.00 42.34 H new ATOM 0 HB VAL A 177 18.094 -2.267 -0.638 1.00 10.12 H new ATOM 0 HG11 VAL A 177 18.317 -4.564 -1.500 1.00 53.44 H new ATOM 0 HG12 VAL A 177 17.897 -4.543 0.229 1.00 53.44 H new ATOM 0 HG13 VAL A 177 16.650 -4.912 -0.985 1.00 53.44 H new ATOM 0 HG21 VAL A 177 17.562 -2.762 -2.991 1.00 2.32 H new ATOM 0 HG22 VAL A 177 15.862 -3.037 -2.543 1.00 2.32 H new ATOM 0 HG23 VAL A 177 16.580 -1.420 -2.357 1.00 2.32 H new ATOM 1328 N ARG A 178 15.982 -3.921 2.075 1.00 45.44 N ATOM 1329 CA ARG A 178 16.358 -4.429 3.390 1.00 2.32 C ATOM 1330 C ARG A 178 16.531 -5.942 3.309 1.00 22.11 C ATOM 1331 O ARG A 178 16.332 -6.527 2.246 1.00 74.42 O ATOM 1332 CB ARG A 178 15.287 -4.071 4.435 1.00 34.11 C ATOM 1333 CG ARG A 178 14.712 -2.673 4.260 1.00 12.13 C ATOM 1334 CD ARG A 178 14.011 -2.163 5.512 1.00 64.43 C ATOM 1335 NE ARG A 178 12.836 -2.956 5.874 1.00 25.12 N ATOM 1336 CZ ARG A 178 11.579 -2.505 5.799 1.00 43.32 C ATOM 1337 NH1 ARG A 178 11.320 -1.305 5.295 1.00 11.05 N ATOM 1338 NH2 ARG A 178 10.578 -3.262 6.219 1.00 42.52 N ATOM 0 H ARG A 178 15.243 -4.454 1.616 1.00 45.44 H new ATOM 0 HA ARG A 178 17.297 -3.969 3.698 1.00 2.32 H new ATOM 0 HB2 ARG A 178 14.477 -4.798 4.377 1.00 34.11 H new ATOM 0 HB3 ARG A 178 15.721 -4.155 5.432 1.00 34.11 H new ATOM 0 HG2 ARG A 178 15.515 -1.986 3.993 1.00 12.13 H new ATOM 0 HG3 ARG A 178 14.006 -2.677 3.430 1.00 12.13 H new ATOM 0 HD2 ARG A 178 14.716 -2.168 6.344 1.00 64.43 H new ATOM 0 HD3 ARG A 178 13.709 -1.127 5.356 1.00 64.43 H new ATOM 0 HE ARG A 178 12.984 -3.910 6.203 1.00 25.12 H new ATOM 0 HH11 ARG A 178 12.083 -0.717 4.960 1.00 11.05 H new ATOM 0 HH12 ARG A 178 10.358 -0.971 5.242 1.00 11.05 H new ATOM 0 HH21 ARG A 178 10.765 -4.190 6.600 1.00 42.52 H new ATOM 0 HH22 ARG A 178 9.619 -2.918 6.162 1.00 42.52 H new ATOM 1352 N LYS A 179 16.917 -6.578 4.408 1.00 21.04 N ATOM 1353 CA LYS A 179 16.960 -8.037 4.448 1.00 42.12 C ATOM 1354 C LYS A 179 15.537 -8.572 4.482 1.00 22.15 C ATOM 1355 O LYS A 179 14.734 -8.134 5.307 1.00 44.13 O ATOM 1356 CB LYS A 179 17.699 -8.564 5.687 1.00 31.25 C ATOM 1357 CG LYS A 179 19.188 -8.252 5.757 1.00 43.14 C ATOM 1358 CD LYS A 179 19.461 -6.862 6.308 1.00 64.53 C ATOM 1359 CE LYS A 179 20.677 -6.860 7.229 1.00 5.40 C ATOM 1360 NZ LYS A 179 21.873 -7.500 6.611 1.00 24.44 N ATOM 0 H LYS A 179 17.201 -6.117 5.272 1.00 21.04 H new ATOM 0 HA LYS A 179 17.496 -8.374 3.561 1.00 42.12 H new ATOM 0 HB2 LYS A 179 17.219 -8.152 6.575 1.00 31.25 H new ATOM 0 HB3 LYS A 179 17.572 -9.646 5.729 1.00 31.25 H new ATOM 0 HG2 LYS A 179 19.683 -8.993 6.385 1.00 43.14 H new ATOM 0 HG3 LYS A 179 19.622 -8.337 4.761 1.00 43.14 H new ATOM 0 HD2 LYS A 179 19.625 -6.168 5.484 1.00 64.53 H new ATOM 0 HD3 LYS A 179 18.587 -6.507 6.855 1.00 64.53 H new ATOM 0 HE2 LYS A 179 20.920 -5.832 7.500 1.00 5.40 H new ATOM 0 HE3 LYS A 179 20.428 -7.382 8.153 1.00 5.40 H new ATOM 0 HZ1 LYS A 179 22.435 -7.971 7.349 1.00 24.44 H new ATOM 0 HZ2 LYS A 179 21.567 -8.202 5.908 1.00 24.44 H new ATOM 0 HZ3 LYS A 179 22.454 -6.774 6.145 1.00 24.44 H new ATOM 1374 N ALA A 180 15.216 -9.501 3.598 1.00 33.34 N ATOM 1375 CA ALA A 180 13.891 -10.099 3.606 1.00 1.22 C ATOM 1376 C ALA A 180 13.819 -11.246 4.606 1.00 50.55 C ATOM 1377 O ALA A 180 14.049 -12.404 4.259 1.00 30.25 O ATOM 1378 CB ALA A 180 13.490 -10.576 2.220 1.00 54.35 C ATOM 0 H ALA A 180 15.844 -9.854 2.875 1.00 33.34 H new ATOM 0 HA ALA A 180 13.185 -9.328 3.913 1.00 1.22 H new ATOM 0 HB1 ALA A 180 12.494 -11.018 2.261 1.00 54.35 H new ATOM 0 HB2 ALA A 180 13.484 -9.731 1.532 1.00 54.35 H new ATOM 0 HB3 ALA A 180 14.204 -11.322 1.871 1.00 54.35 H new ATOM 1384 N LEU A 181 13.532 -10.912 5.857 1.00 21.24 N ATOM 1385 CA LEU A 181 13.347 -11.926 6.881 1.00 12.00 C ATOM 1386 C LEU A 181 11.942 -12.496 6.772 1.00 23.31 C ATOM 1387 O LEU A 181 10.978 -11.747 6.596 1.00 71.31 O ATOM 1388 CB LEU A 181 13.592 -11.368 8.296 1.00 1.44 C ATOM 1389 CG LEU A 181 12.485 -10.479 8.882 1.00 23.53 C ATOM 1390 CD1 LEU A 181 12.704 -10.275 10.372 1.00 35.12 C ATOM 1391 CD2 LEU A 181 12.435 -9.131 8.183 1.00 32.24 C ATOM 0 H LEU A 181 13.423 -9.952 6.184 1.00 21.24 H new ATOM 0 HA LEU A 181 14.081 -12.715 6.718 1.00 12.00 H new ATOM 0 HB2 LEU A 181 13.749 -12.209 8.972 1.00 1.44 H new ATOM 0 HB3 LEU A 181 14.519 -10.794 8.281 1.00 1.44 H new ATOM 0 HG LEU A 181 11.533 -10.986 8.723 1.00 23.53 H new ATOM 0 HD11 LEU A 181 11.912 -9.643 10.773 1.00 35.12 H new ATOM 0 HD12 LEU A 181 12.689 -11.241 10.878 1.00 35.12 H new ATOM 0 HD13 LEU A 181 13.669 -9.795 10.536 1.00 35.12 H new ATOM 0 HD21 LEU A 181 11.642 -8.524 8.619 1.00 32.24 H new ATOM 0 HD22 LEU A 181 13.391 -8.622 8.306 1.00 32.24 H new ATOM 0 HD23 LEU A 181 12.236 -9.279 7.121 1.00 32.24 H new ATOM 1403 N SER A 182 11.839 -13.814 6.856 1.00 45.34 N ATOM 1404 CA SER A 182 10.568 -14.512 6.719 1.00 10.14 C ATOM 1405 C SER A 182 9.503 -13.893 7.616 1.00 34.22 C ATOM 1406 O SER A 182 9.769 -13.582 8.776 1.00 13.42 O ATOM 1407 CB SER A 182 10.767 -15.980 7.076 1.00 15.44 C ATOM 1408 OG SER A 182 11.817 -16.547 6.311 1.00 30.41 O ATOM 0 H SER A 182 12.634 -14.431 7.021 1.00 45.34 H new ATOM 0 HA SER A 182 10.226 -14.424 5.688 1.00 10.14 H new ATOM 0 HB2 SER A 182 10.994 -16.073 8.138 1.00 15.44 H new ATOM 0 HB3 SER A 182 9.843 -16.531 6.898 1.00 15.44 H new ATOM 0 HG SER A 182 11.929 -17.489 6.557 1.00 30.41 H new ATOM 1414 N LYS A 183 8.298 -13.712 7.081 1.00 1.23 N ATOM 1415 CA LYS A 183 7.221 -13.092 7.845 1.00 71.45 C ATOM 1416 C LYS A 183 6.848 -13.949 9.048 1.00 3.44 C ATOM 1417 O LYS A 183 6.336 -13.443 10.044 1.00 53.41 O ATOM 1418 CB LYS A 183 5.992 -12.817 6.970 1.00 30.24 C ATOM 1419 CG LYS A 183 5.455 -14.033 6.239 1.00 1.34 C ATOM 1420 CD LYS A 183 4.174 -13.699 5.496 1.00 44.51 C ATOM 1421 CE LYS A 183 3.604 -14.915 4.788 1.00 11.14 C ATOM 1422 NZ LYS A 183 3.047 -15.914 5.736 1.00 73.04 N ATOM 0 H LYS A 183 8.045 -13.983 6.131 1.00 1.23 H new ATOM 0 HA LYS A 183 7.587 -12.131 8.207 1.00 71.45 H new ATOM 0 HB2 LYS A 183 5.200 -12.407 7.597 1.00 30.24 H new ATOM 0 HB3 LYS A 183 6.247 -12.052 6.237 1.00 30.24 H new ATOM 0 HG2 LYS A 183 6.203 -14.399 5.535 1.00 1.34 H new ATOM 0 HG3 LYS A 183 5.268 -14.837 6.951 1.00 1.34 H new ATOM 0 HD2 LYS A 183 3.437 -13.308 6.198 1.00 44.51 H new ATOM 0 HD3 LYS A 183 4.370 -12.912 4.768 1.00 44.51 H new ATOM 0 HE2 LYS A 183 2.822 -14.597 4.099 1.00 11.14 H new ATOM 0 HE3 LYS A 183 4.386 -15.383 4.189 1.00 11.14 H new ATOM 0 HZ1 LYS A 183 2.566 -16.667 5.204 1.00 73.04 H new ATOM 0 HZ2 LYS A 183 3.818 -16.326 6.299 1.00 73.04 H new ATOM 0 HZ3 LYS A 183 2.366 -15.449 6.370 1.00 73.04 H new ATOM 1436 N GLN A 184 7.123 -15.243 8.954 1.00 4.11 N ATOM 1437 CA GLN A 184 6.939 -16.149 10.078 1.00 44.11 C ATOM 1438 C GLN A 184 7.825 -15.720 11.242 1.00 54.54 C ATOM 1439 O GLN A 184 7.403 -15.720 12.398 1.00 20.12 O ATOM 1440 CB GLN A 184 7.288 -17.575 9.660 1.00 53.11 C ATOM 1441 CG GLN A 184 6.910 -18.629 10.687 1.00 3.43 C ATOM 1442 CD GLN A 184 7.271 -20.028 10.234 1.00 1.44 C ATOM 1443 OE1 GLN A 184 6.484 -20.701 9.569 1.00 74.42 O ATOM 1444 NE2 GLN A 184 8.453 -20.485 10.601 1.00 11.13 N ATOM 0 H GLN A 184 7.476 -15.689 8.107 1.00 4.11 H new ATOM 0 HA GLN A 184 5.896 -16.115 10.393 1.00 44.11 H new ATOM 0 HB2 GLN A 184 6.784 -17.801 8.720 1.00 53.11 H new ATOM 0 HB3 GLN A 184 8.360 -17.635 9.470 1.00 53.11 H new ATOM 0 HG2 GLN A 184 7.414 -18.413 11.629 1.00 3.43 H new ATOM 0 HG3 GLN A 184 5.839 -18.577 10.880 1.00 3.43 H new ATOM 0 HE21 GLN A 184 9.078 -19.897 11.152 1.00 11.13 H new ATOM 0 HE22 GLN A 184 8.741 -21.426 10.333 1.00 11.13 H new ATOM 1453 N GLU A 185 9.047 -15.326 10.914 1.00 74.31 N ATOM 1454 CA GLU A 185 10.020 -14.926 11.914 1.00 54.40 C ATOM 1455 C GLU A 185 9.840 -13.463 12.284 1.00 52.21 C ATOM 1456 O GLU A 185 10.007 -13.086 13.439 1.00 64.53 O ATOM 1457 CB GLU A 185 11.435 -15.161 11.397 1.00 13.23 C ATOM 1458 CG GLU A 185 11.737 -16.618 11.106 1.00 4.32 C ATOM 1459 CD GLU A 185 13.125 -16.814 10.545 1.00 21.22 C ATOM 1460 OE1 GLU A 185 14.101 -16.701 11.315 1.00 2.31 O ATOM 1461 OE2 GLU A 185 13.246 -17.085 9.333 1.00 33.15 O ATOM 0 H GLU A 185 9.388 -15.275 9.954 1.00 74.31 H new ATOM 0 HA GLU A 185 9.862 -15.532 12.806 1.00 54.40 H new ATOM 0 HB2 GLU A 185 11.583 -14.579 10.488 1.00 13.23 H new ATOM 0 HB3 GLU A 185 12.149 -14.790 12.133 1.00 13.23 H new ATOM 0 HG2 GLU A 185 11.633 -17.199 12.023 1.00 4.32 H new ATOM 0 HG3 GLU A 185 11.003 -17.005 10.398 1.00 4.32 H new ATOM 1468 N MET A 186 9.479 -12.639 11.301 1.00 74.11 N ATOM 1469 CA MET A 186 9.281 -11.213 11.542 1.00 1.45 C ATOM 1470 C MET A 186 8.098 -10.996 12.483 1.00 1.04 C ATOM 1471 O MET A 186 7.985 -9.952 13.119 1.00 63.14 O ATOM 1472 CB MET A 186 9.072 -10.446 10.223 1.00 51.23 C ATOM 1473 CG MET A 186 7.626 -10.374 9.757 1.00 24.54 C ATOM 1474 SD MET A 186 7.440 -9.470 8.207 1.00 54.35 S ATOM 1475 CE MET A 186 8.126 -7.876 8.655 1.00 64.11 C ATOM 0 H MET A 186 9.319 -12.933 10.337 1.00 74.11 H new ATOM 0 HA MET A 186 10.182 -10.821 12.014 1.00 1.45 H new ATOM 0 HB2 MET A 186 9.453 -9.432 10.343 1.00 51.23 H new ATOM 0 HB3 MET A 186 9.668 -10.920 9.443 1.00 51.23 H new ATOM 0 HG2 MET A 186 7.238 -11.385 9.632 1.00 24.54 H new ATOM 0 HG3 MET A 186 7.023 -9.894 10.528 1.00 24.54 H new ATOM 0 HE1 MET A 186 7.773 -7.118 7.955 1.00 64.11 H new ATOM 0 HE2 MET A 186 7.808 -7.614 9.664 1.00 64.11 H new ATOM 0 HE3 MET A 186 9.214 -7.925 8.618 1.00 64.11 H new