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 124 TYR OH : rot 20:sc= 1.38 USER MOD Set 1.2: A 128 TYR OH : rot -153:sc= 0.31 USER MOD Set 1.3: A 165 GLN : amide:sc= -1.43 K(o=-2.4,f=-0.18) USER MOD Set 1.4: A 168 HIS : no HD1:sc= -2.6 K(o=-2.4,f=-9.1!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 178:sc= 1.13 (180deg=0.972) USER MOD Single : A 119 HIS : no HD1:sc= -3! K(o=-3!,f=-0.029) USER MOD Single : A 120 HIS : no HE2:sc= -0.515 K(o=-0.51,f=-8.1!) USER MOD Single : A 127 GLN : amide:sc= -1.04! K(o=-1!,f=-0.078) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 MET CE :methyl 141:sc= -0.219 (180deg=-0.646) USER MOD Single : A 152 THR OG1 : rot 154:sc= -3.38! USER MOD Single : A 156 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.17) USER MOD Single : A 158 SER OG : rot 150:sc= -0.642 USER MOD Single : A 161 LYS NZ :NH3+ -105:sc= 0.269 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ 163:sc= -0.0424 (180deg=-0.285) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.27) USER MOD Single : A 173 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 174 ASN : amide:sc= -0.44 K(o=-0.44,f=-6.1!) USER MOD Single : A 175 CYS SG : rot 52:sc= -0.949 USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 SER OG : rot 180:sc= 0 USER MOD Single : A 183 LYS NZ :NH3+ 169:sc= -0.0396 (180deg=-0.276) USER MOD Single : A 184 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 MET CE :methyl -158:sc= -0.217 (180deg=-0.78) USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 104 21.479 -13.499 5.179 1.00 73.23 N ATOM 137 CA VAL A 104 20.175 -13.620 4.546 1.00 34.14 C ATOM 138 C VAL A 104 20.352 -13.855 3.041 1.00 1.33 C ATOM 139 O VAL A 104 21.282 -13.327 2.437 1.00 0.30 O ATOM 140 CB VAL A 104 19.316 -12.358 4.812 1.00 65.34 C ATOM 141 CG1 VAL A 104 19.905 -11.139 4.126 1.00 22.24 C ATOM 142 CG2 VAL A 104 17.875 -12.566 4.388 1.00 72.30 C ATOM 0 HA VAL A 104 19.650 -14.473 4.975 1.00 34.14 H new ATOM 0 HB VAL A 104 19.325 -12.181 5.888 1.00 65.34 H new ATOM 0 HG11 VAL A 104 19.281 -10.269 4.331 1.00 22.24 H new ATOM 0 HG12 VAL A 104 20.912 -10.960 4.503 1.00 22.24 H new ATOM 0 HG13 VAL A 104 19.946 -11.311 3.050 1.00 22.24 H new ATOM 0 HG21 VAL A 104 17.302 -11.661 4.589 1.00 72.30 H new ATOM 0 HG22 VAL A 104 17.838 -12.789 3.322 1.00 72.30 H new ATOM 0 HG23 VAL A 104 17.447 -13.398 4.948 1.00 72.30 H new ATOM 152 N LYS A 105 19.489 -14.679 2.452 1.00 1.44 N ATOM 153 CA LYS A 105 19.631 -15.057 1.045 1.00 44.14 C ATOM 154 C LYS A 105 18.622 -14.333 0.159 1.00 73.25 C ATOM 155 O LYS A 105 18.669 -14.441 -1.064 1.00 11.23 O ATOM 156 CB LYS A 105 19.475 -16.573 0.864 1.00 34.43 C ATOM 157 CG LYS A 105 20.700 -17.392 1.260 1.00 40.24 C ATOM 158 CD LYS A 105 20.518 -18.116 2.591 1.00 52.34 C ATOM 159 CE LYS A 105 20.627 -17.171 3.776 1.00 50.10 C ATOM 160 NZ LYS A 105 20.633 -17.889 5.078 1.00 0.42 N ATOM 0 H LYS A 105 18.687 -15.097 2.923 1.00 1.44 H new ATOM 0 HA LYS A 105 20.634 -14.760 0.739 1.00 44.14 H new ATOM 0 HB2 LYS A 105 18.623 -16.910 1.455 1.00 34.43 H new ATOM 0 HB3 LYS A 105 19.240 -16.778 -0.180 1.00 34.43 H new ATOM 0 HG2 LYS A 105 20.912 -18.123 0.479 1.00 40.24 H new ATOM 0 HG3 LYS A 105 21.567 -16.734 1.324 1.00 40.24 H new ATOM 0 HD2 LYS A 105 19.544 -18.605 2.607 1.00 52.34 H new ATOM 0 HD3 LYS A 105 21.270 -18.900 2.683 1.00 52.34 H new ATOM 0 HE2 LYS A 105 21.540 -16.583 3.685 1.00 50.10 H new ATOM 0 HE3 LYS A 105 19.793 -16.470 3.755 1.00 50.10 H new ATOM 0 HZ1 LYS A 105 20.709 -17.201 5.854 1.00 0.42 H new ATOM 0 HZ2 LYS A 105 19.751 -18.430 5.180 1.00 0.42 H new ATOM 0 HZ3 LYS A 105 21.444 -18.540 5.112 1.00 0.42 H new ATOM 174 N LYS A 106 17.712 -13.600 0.773 1.00 52.23 N ATOM 175 CA LYS A 106 16.698 -12.866 0.035 1.00 2.31 C ATOM 176 C LYS A 106 16.586 -11.452 0.579 1.00 12.44 C ATOM 177 O LYS A 106 16.685 -11.232 1.786 1.00 12.24 O ATOM 178 CB LYS A 106 15.344 -13.591 0.107 1.00 41.45 C ATOM 179 CG LYS A 106 14.188 -12.809 -0.509 1.00 1.12 C ATOM 180 CD LYS A 106 13.057 -13.723 -0.962 1.00 4.41 C ATOM 181 CE LYS A 106 12.425 -14.483 0.191 1.00 72.45 C ATOM 182 NZ LYS A 106 11.507 -15.548 -0.291 1.00 34.12 N ATOM 0 H LYS A 106 17.653 -13.496 1.786 1.00 52.23 H new ATOM 0 HA LYS A 106 16.993 -12.813 -1.013 1.00 2.31 H new ATOM 0 HB2 LYS A 106 15.430 -14.552 -0.400 1.00 41.45 H new ATOM 0 HB3 LYS A 106 15.111 -13.802 1.151 1.00 41.45 H new ATOM 0 HG2 LYS A 106 13.806 -12.093 0.219 1.00 1.12 H new ATOM 0 HG3 LYS A 106 14.552 -12.234 -1.360 1.00 1.12 H new ATOM 0 HD2 LYS A 106 12.293 -13.129 -1.463 1.00 4.41 H new ATOM 0 HD3 LYS A 106 13.440 -14.434 -1.695 1.00 4.41 H new ATOM 0 HE2 LYS A 106 13.207 -14.928 0.806 1.00 72.45 H new ATOM 0 HE3 LYS A 106 11.875 -13.789 0.827 1.00 72.45 H new ATOM 0 HZ1 LYS A 106 11.120 -16.068 0.523 1.00 34.12 H new ATOM 0 HZ2 LYS A 106 10.728 -15.118 -0.829 1.00 34.12 H new ATOM 0 HZ3 LYS A 106 12.030 -16.205 -0.905 1.00 34.12 H new ATOM 196 N ILE A 107 16.408 -10.490 -0.308 1.00 62.41 N ATOM 197 CA ILE A 107 16.274 -9.105 0.102 1.00 23.11 C ATOM 198 C ILE A 107 14.839 -8.622 -0.069 1.00 12.43 C ATOM 199 O ILE A 107 14.065 -9.191 -0.844 1.00 21.20 O ATOM 200 CB ILE A 107 17.208 -8.172 -0.688 1.00 25.32 C ATOM 201 CG1 ILE A 107 16.744 -8.046 -2.130 1.00 11.20 C ATOM 202 CG2 ILE A 107 18.634 -8.686 -0.643 1.00 44.23 C ATOM 203 CD1 ILE A 107 17.077 -6.703 -2.712 1.00 63.44 C ATOM 0 H ILE A 107 16.353 -10.642 -1.315 1.00 62.41 H new ATOM 0 HA ILE A 107 16.555 -9.069 1.155 1.00 23.11 H new ATOM 0 HB ILE A 107 17.176 -7.186 -0.224 1.00 25.32 H new ATOM 0 HG12 ILE A 107 17.210 -8.827 -2.731 1.00 11.20 H new ATOM 0 HG13 ILE A 107 15.667 -8.206 -2.180 1.00 11.20 H new ATOM 0 HG21 ILE A 107 19.281 -8.014 -1.207 1.00 44.23 H new ATOM 0 HG22 ILE A 107 18.972 -8.731 0.392 1.00 44.23 H new ATOM 0 HG23 ILE A 107 18.675 -9.683 -1.082 1.00 44.23 H new ATOM 0 HD11 ILE A 107 16.728 -6.657 -3.743 1.00 63.44 H new ATOM 0 HD12 ILE A 107 16.589 -5.922 -2.128 1.00 63.44 H new ATOM 0 HD13 ILE A 107 18.156 -6.553 -2.688 1.00 63.44 H new ATOM 215 N PHE A 108 14.500 -7.578 0.665 1.00 32.12 N ATOM 216 CA PHE A 108 13.188 -6.960 0.582 1.00 62.31 C ATOM 217 C PHE A 108 13.308 -5.622 -0.121 1.00 32.10 C ATOM 218 O PHE A 108 14.057 -4.754 0.322 1.00 24.31 O ATOM 219 CB PHE A 108 12.600 -6.770 1.985 1.00 70.11 C ATOM 220 CG PHE A 108 11.368 -5.907 2.019 1.00 65.24 C ATOM 221 CD1 PHE A 108 10.188 -6.338 1.440 1.00 2.10 C ATOM 222 CD2 PHE A 108 11.393 -4.666 2.636 1.00 72.21 C ATOM 223 CE1 PHE A 108 9.056 -5.550 1.473 1.00 24.40 C ATOM 224 CE2 PHE A 108 10.265 -3.873 2.671 1.00 61.03 C ATOM 225 CZ PHE A 108 9.094 -4.314 2.090 1.00 73.54 C ATOM 0 H PHE A 108 15.127 -7.134 1.336 1.00 32.12 H new ATOM 0 HA PHE A 108 12.520 -7.608 0.015 1.00 62.31 H new ATOM 0 HB2 PHE A 108 12.358 -7.748 2.402 1.00 70.11 H new ATOM 0 HB3 PHE A 108 13.359 -6.327 2.629 1.00 70.11 H new ATOM 0 HD1 PHE A 108 10.152 -7.303 0.956 1.00 2.10 H new ATOM 0 HD2 PHE A 108 12.306 -4.316 3.095 1.00 72.21 H new ATOM 0 HE1 PHE A 108 8.141 -5.899 1.017 1.00 24.40 H new ATOM 0 HE2 PHE A 108 10.298 -2.907 3.153 1.00 61.03 H new ATOM 0 HZ PHE A 108 8.209 -3.695 2.117 1.00 73.54 H new ATOM 235 N VAL A 109 12.590 -5.460 -1.218 1.00 52.43 N ATOM 236 CA VAL A 109 12.662 -4.228 -1.981 1.00 2.44 C ATOM 237 C VAL A 109 11.415 -3.379 -1.762 1.00 74.24 C ATOM 238 O VAL A 109 10.350 -3.665 -2.314 1.00 11.01 O ATOM 239 CB VAL A 109 12.830 -4.500 -3.489 1.00 31.35 C ATOM 240 CG1 VAL A 109 13.250 -3.233 -4.217 1.00 50.13 C ATOM 241 CG2 VAL A 109 13.832 -5.618 -3.732 1.00 54.52 C ATOM 0 H VAL A 109 11.954 -6.161 -1.598 1.00 52.43 H new ATOM 0 HA VAL A 109 13.538 -3.687 -1.624 1.00 2.44 H new ATOM 0 HB VAL A 109 11.866 -4.820 -3.885 1.00 31.35 H new ATOM 0 HG11 VAL A 109 13.364 -3.445 -5.280 1.00 50.13 H new ATOM 0 HG12 VAL A 109 12.489 -2.465 -4.079 1.00 50.13 H new ATOM 0 HG13 VAL A 109 14.199 -2.880 -3.814 1.00 50.13 H new ATOM 0 HG21 VAL A 109 13.932 -5.790 -4.804 1.00 54.52 H new ATOM 0 HG22 VAL A 109 14.800 -5.336 -3.318 1.00 54.52 H new ATOM 0 HG23 VAL A 109 13.483 -6.531 -3.249 1.00 54.52 H new ATOM 251 N GLY A 110 11.553 -2.351 -0.938 1.00 44.10 N ATOM 252 CA GLY A 110 10.474 -1.414 -0.717 1.00 0.22 C ATOM 253 C GLY A 110 10.818 -0.053 -1.283 1.00 23.44 C ATOM 254 O GLY A 110 11.879 0.117 -1.883 1.00 61.44 O ATOM 0 H GLY A 110 12.404 -2.149 -0.413 1.00 44.10 H new ATOM 0 HA2 GLY A 110 9.562 -1.787 -1.183 1.00 0.22 H new ATOM 0 HA3 GLY A 110 10.274 -1.328 0.351 1.00 0.22 H new ATOM 347 N GLU A 117 8.785 -5.062 -11.846 1.00 13.22 N ATOM 348 CA GLU A 117 8.628 -6.495 -12.026 1.00 25.23 C ATOM 349 C GLU A 117 9.956 -7.225 -11.856 1.00 3.10 C ATOM 350 O GLU A 117 10.958 -6.626 -11.467 1.00 64.14 O ATOM 351 CB GLU A 117 8.047 -6.777 -13.407 1.00 64.20 C ATOM 352 CG GLU A 117 9.028 -6.562 -14.541 1.00 23.32 C ATOM 353 CD GLU A 117 8.403 -6.809 -15.893 1.00 53.44 C ATOM 354 OE1 GLU A 117 8.441 -7.965 -16.373 1.00 33.13 O ATOM 355 OE2 GLU A 117 7.857 -5.854 -16.477 1.00 14.52 O ATOM 0 HA GLU A 117 7.945 -6.864 -11.260 1.00 25.23 H new ATOM 0 HB2 GLU A 117 7.692 -7.807 -13.437 1.00 64.20 H new ATOM 0 HB3 GLU A 117 7.180 -6.136 -13.563 1.00 64.20 H new ATOM 0 HG2 GLU A 117 9.409 -5.542 -14.500 1.00 23.32 H new ATOM 0 HG3 GLU A 117 9.882 -7.227 -14.411 1.00 23.32 H new ATOM 362 N GLU A 118 9.957 -8.512 -12.187 1.00 20.21 N ATOM 363 CA GLU A 118 11.111 -9.369 -11.975 1.00 3.13 C ATOM 364 C GLU A 118 12.347 -8.864 -12.709 1.00 32.13 C ATOM 365 O GLU A 118 13.434 -8.816 -12.131 1.00 54.22 O ATOM 366 CB GLU A 118 10.793 -10.808 -12.394 1.00 72.53 C ATOM 367 CG GLU A 118 12.023 -11.620 -12.775 1.00 51.02 C ATOM 368 CD GLU A 118 11.682 -12.990 -13.305 1.00 54.05 C ATOM 369 OE1 GLU A 118 11.349 -13.103 -14.500 1.00 75.14 O ATOM 370 OE2 GLU A 118 11.765 -13.964 -12.533 1.00 22.12 O ATOM 0 H GLU A 118 9.159 -8.987 -12.609 1.00 20.21 H new ATOM 0 HA GLU A 118 11.336 -9.348 -10.909 1.00 3.13 H new ATOM 0 HB2 GLU A 118 10.276 -11.310 -11.576 1.00 72.53 H new ATOM 0 HB3 GLU A 118 10.106 -10.787 -13.240 1.00 72.53 H new ATOM 0 HG2 GLU A 118 12.592 -11.076 -13.529 1.00 51.02 H new ATOM 0 HG3 GLU A 118 12.668 -11.724 -11.902 1.00 51.02 H new ATOM 377 N HIS A 119 12.187 -8.478 -13.972 1.00 63.34 N ATOM 378 CA HIS A 119 13.333 -8.056 -14.767 1.00 31.44 C ATOM 379 C HIS A 119 13.948 -6.791 -14.174 1.00 41.43 C ATOM 380 O HIS A 119 15.152 -6.588 -14.254 1.00 40.05 O ATOM 381 CB HIS A 119 12.954 -7.864 -16.250 1.00 1.21 C ATOM 382 CG HIS A 119 12.625 -6.456 -16.661 1.00 4.23 C ATOM 383 ND1 HIS A 119 13.580 -5.634 -17.206 1.00 74.13 N ATOM 384 CD2 HIS A 119 11.450 -5.787 -16.604 1.00 22.05 C ATOM 385 CE1 HIS A 119 12.971 -4.491 -17.465 1.00 45.44 C ATOM 386 NE2 HIS A 119 11.678 -4.536 -17.119 1.00 12.44 N ATOM 0 H HIS A 119 11.291 -8.449 -14.459 1.00 63.34 H new ATOM 0 HA HIS A 119 14.083 -8.847 -14.734 1.00 31.44 H new ATOM 0 HB2 HIS A 119 13.780 -8.219 -16.866 1.00 1.21 H new ATOM 0 HB3 HIS A 119 12.095 -8.498 -16.472 1.00 1.21 H new ATOM 0 HD2 HIS A 119 10.512 -6.166 -16.225 1.00 22.05 H new ATOM 0 HE1 HIS A 119 13.455 -3.629 -17.901 1.00 45.44 H new ATOM 0 HE2 HIS A 119 10.995 -3.785 -17.219 1.00 12.44 H new ATOM 394 N HIS A 120 13.117 -5.968 -13.543 1.00 33.23 N ATOM 395 CA HIS A 120 13.589 -4.746 -12.909 1.00 73.22 C ATOM 396 C HIS A 120 14.535 -5.072 -11.756 1.00 33.33 C ATOM 397 O HIS A 120 15.685 -4.621 -11.738 1.00 24.21 O ATOM 398 CB HIS A 120 12.408 -3.913 -12.406 1.00 63.11 C ATOM 399 CG HIS A 120 11.617 -3.267 -13.498 1.00 72.33 C ATOM 400 ND1 HIS A 120 10.293 -3.572 -13.700 1.00 60.23 N ATOM 401 CD2 HIS A 120 11.998 -2.335 -14.401 1.00 51.33 C ATOM 402 CE1 HIS A 120 9.900 -2.822 -14.715 1.00 22.31 C ATOM 403 NE2 HIS A 120 10.900 -2.057 -15.169 1.00 33.24 N ATOM 0 H HIS A 120 12.113 -6.127 -13.458 1.00 33.23 H new ATOM 0 HA HIS A 120 14.135 -4.163 -13.651 1.00 73.22 H new ATOM 0 HB2 HIS A 120 11.747 -4.553 -11.821 1.00 63.11 H new ATOM 0 HB3 HIS A 120 12.781 -3.140 -11.734 1.00 63.11 H new ATOM 0 HD1 HIS A 120 9.729 -4.240 -13.175 1.00 60.23 H new ATOM 0 HD2 HIS A 120 12.980 -1.895 -14.497 1.00 51.33 H new ATOM 0 HE1 HIS A 120 8.901 -2.826 -15.125 1.00 22.31 H new ATOM 411 N LEU A 121 14.050 -5.867 -10.803 1.00 4.21 N ATOM 412 CA LEU A 121 14.870 -6.282 -9.668 1.00 31.33 C ATOM 413 C LEU A 121 16.093 -7.057 -10.141 1.00 73.44 C ATOM 414 O LEU A 121 17.224 -6.734 -9.783 1.00 72.14 O ATOM 415 CB LEU A 121 14.084 -7.156 -8.676 1.00 61.51 C ATOM 416 CG LEU A 121 13.018 -6.453 -7.826 1.00 20.54 C ATOM 417 CD1 LEU A 121 13.459 -5.051 -7.449 1.00 63.24 C ATOM 418 CD2 LEU A 121 11.677 -6.431 -8.533 1.00 1.45 C ATOM 0 H LEU A 121 13.098 -6.234 -10.795 1.00 4.21 H new ATOM 0 HA LEU A 121 15.180 -5.370 -9.159 1.00 31.33 H new ATOM 0 HB2 LEU A 121 13.598 -7.954 -9.238 1.00 61.51 H new ATOM 0 HB3 LEU A 121 14.798 -7.630 -8.002 1.00 61.51 H new ATOM 0 HG LEU A 121 12.898 -7.025 -6.906 1.00 20.54 H new ATOM 0 HD11 LEU A 121 12.685 -4.576 -6.847 1.00 63.24 H new ATOM 0 HD12 LEU A 121 14.384 -5.103 -6.875 1.00 63.24 H new ATOM 0 HD13 LEU A 121 13.625 -4.466 -8.354 1.00 63.24 H new ATOM 0 HD21 LEU A 121 10.943 -5.926 -7.905 1.00 1.45 H new ATOM 0 HD22 LEU A 121 11.773 -5.898 -9.479 1.00 1.45 H new ATOM 0 HD23 LEU A 121 11.350 -7.453 -8.724 1.00 1.45 H new ATOM 430 N ARG A 122 15.853 -8.072 -10.962 1.00 11.00 N ATOM 431 CA ARG A 122 16.915 -8.954 -11.423 1.00 33.40 C ATOM 432 C ARG A 122 18.007 -8.178 -12.152 1.00 63.41 C ATOM 433 O ARG A 122 19.166 -8.264 -11.779 1.00 41.41 O ATOM 434 CB ARG A 122 16.346 -10.041 -12.334 1.00 11.54 C ATOM 435 CG ARG A 122 17.407 -10.953 -12.930 1.00 21.31 C ATOM 436 CD ARG A 122 17.391 -12.332 -12.290 1.00 43.20 C ATOM 437 NE ARG A 122 16.091 -12.992 -12.431 1.00 21.54 N ATOM 438 CZ ARG A 122 15.889 -14.291 -12.205 1.00 65.44 C ATOM 439 NH1 ARG A 122 16.910 -15.081 -11.885 1.00 53.22 N ATOM 440 NH2 ARG A 122 14.669 -14.809 -12.320 1.00 12.23 N ATOM 0 H ARG A 122 14.928 -8.304 -11.323 1.00 11.00 H new ATOM 0 HA ARG A 122 17.362 -9.421 -10.546 1.00 33.40 H new ATOM 0 HB2 ARG A 122 15.637 -10.644 -11.767 1.00 11.54 H new ATOM 0 HB3 ARG A 122 15.788 -9.570 -13.143 1.00 11.54 H new ATOM 0 HG2 ARG A 122 17.243 -11.049 -14.003 1.00 21.31 H new ATOM 0 HG3 ARG A 122 18.390 -10.502 -12.797 1.00 21.31 H new ATOM 0 HD2 ARG A 122 18.163 -12.952 -12.747 1.00 43.20 H new ATOM 0 HD3 ARG A 122 17.639 -12.243 -11.232 1.00 43.20 H new ATOM 0 HE ARG A 122 15.293 -12.425 -12.719 1.00 21.54 H new ATOM 0 HH11 ARG A 122 17.851 -14.694 -11.812 1.00 53.22 H new ATOM 0 HH12 ARG A 122 16.752 -16.074 -11.713 1.00 53.22 H new ATOM 0 HH21 ARG A 122 13.884 -14.212 -12.582 1.00 12.23 H new ATOM 0 HH22 ARG A 122 14.518 -15.803 -12.146 1.00 12.23 H new ATOM 454 N ASP A 123 17.627 -7.394 -13.159 1.00 40.41 N ATOM 455 CA ASP A 123 18.599 -6.684 -13.998 1.00 73.11 C ATOM 456 C ASP A 123 19.500 -5.769 -13.173 1.00 61.44 C ATOM 457 O ASP A 123 20.647 -5.508 -13.539 1.00 13.45 O ATOM 458 CB ASP A 123 17.876 -5.870 -15.077 1.00 13.43 C ATOM 459 CG ASP A 123 18.818 -5.059 -15.941 1.00 52.33 C ATOM 460 OD1 ASP A 123 19.602 -5.659 -16.707 1.00 20.42 O ATOM 461 OD2 ASP A 123 18.764 -3.813 -15.878 1.00 53.25 O ATOM 0 H ASP A 123 16.653 -7.232 -13.416 1.00 40.41 H new ATOM 0 HA ASP A 123 19.231 -7.435 -14.472 1.00 73.11 H new ATOM 0 HB2 ASP A 123 17.303 -6.547 -15.711 1.00 13.43 H new ATOM 0 HB3 ASP A 123 17.162 -5.199 -14.600 1.00 13.43 H new ATOM 466 N TYR A 124 18.987 -5.287 -12.055 1.00 54.43 N ATOM 467 CA TYR A 124 19.767 -4.425 -11.183 1.00 34.24 C ATOM 468 C TYR A 124 20.609 -5.244 -10.199 1.00 54.14 C ATOM 469 O TYR A 124 21.787 -4.957 -9.982 1.00 54.31 O ATOM 470 CB TYR A 124 18.838 -3.471 -10.433 1.00 62.03 C ATOM 471 CG TYR A 124 19.537 -2.604 -9.411 1.00 1.35 C ATOM 472 CD1 TYR A 124 19.168 -2.656 -8.076 1.00 12.40 C ATOM 473 CD2 TYR A 124 20.559 -1.736 -9.778 1.00 14.12 C ATOM 474 CE1 TYR A 124 19.791 -1.869 -7.133 1.00 44.20 C ATOM 475 CE2 TYR A 124 21.192 -0.945 -8.837 1.00 60.45 C ATOM 476 CZ TYR A 124 20.802 -1.017 -7.516 1.00 50.41 C ATOM 477 OH TYR A 124 21.417 -0.230 -6.571 1.00 2.13 O ATOM 0 H TYR A 124 18.039 -5.476 -11.730 1.00 54.43 H new ATOM 0 HA TYR A 124 20.454 -3.844 -11.798 1.00 34.24 H new ATOM 0 HB2 TYR A 124 18.335 -2.828 -11.155 1.00 62.03 H new ATOM 0 HB3 TYR A 124 18.065 -4.053 -9.932 1.00 62.03 H new ATOM 0 HD1 TYR A 124 18.378 -3.326 -7.770 1.00 12.40 H new ATOM 0 HD2 TYR A 124 20.863 -1.679 -10.813 1.00 14.12 H new ATOM 0 HE1 TYR A 124 19.488 -1.920 -6.098 1.00 44.20 H new ATOM 0 HE2 TYR A 124 21.986 -0.276 -9.134 1.00 60.45 H new ATOM 0 HH TYR A 124 21.266 -0.610 -5.680 1.00 2.13 H new ATOM 487 N PHE A 125 20.016 -6.278 -9.624 1.00 44.32 N ATOM 488 CA PHE A 125 20.671 -7.032 -8.561 1.00 44.53 C ATOM 489 C PHE A 125 21.567 -8.151 -9.096 1.00 21.04 C ATOM 490 O PHE A 125 22.410 -8.675 -8.367 1.00 34.03 O ATOM 491 CB PHE A 125 19.629 -7.585 -7.588 1.00 34.45 C ATOM 492 CG PHE A 125 18.983 -6.515 -6.753 1.00 3.44 C ATOM 493 CD1 PHE A 125 17.611 -6.319 -6.776 1.00 45.22 C ATOM 494 CD2 PHE A 125 19.757 -5.690 -5.952 1.00 12.25 C ATOM 495 CE1 PHE A 125 17.027 -5.322 -6.016 1.00 24.24 C ATOM 496 CE2 PHE A 125 19.179 -4.695 -5.190 1.00 43.35 C ATOM 497 CZ PHE A 125 17.813 -4.510 -5.221 1.00 0.22 C ATOM 0 H PHE A 125 19.086 -6.615 -9.872 1.00 44.32 H new ATOM 0 HA PHE A 125 21.325 -6.340 -8.030 1.00 44.53 H new ATOM 0 HB2 PHE A 125 18.860 -8.115 -8.150 1.00 34.45 H new ATOM 0 HB3 PHE A 125 20.103 -8.314 -6.931 1.00 34.45 H new ATOM 0 HD1 PHE A 125 16.991 -6.952 -7.394 1.00 45.22 H new ATOM 0 HD2 PHE A 125 20.828 -5.828 -5.924 1.00 12.25 H new ATOM 0 HE1 PHE A 125 15.957 -5.178 -6.044 1.00 24.24 H new ATOM 0 HE2 PHE A 125 19.796 -4.062 -4.570 1.00 43.35 H new ATOM 0 HZ PHE A 125 17.358 -3.732 -4.625 1.00 0.22 H new ATOM 507 N GLU A 126 21.406 -8.509 -10.367 1.00 35.43 N ATOM 508 CA GLU A 126 22.251 -9.532 -10.987 1.00 61.44 C ATOM 509 C GLU A 126 23.688 -9.042 -11.087 1.00 52.43 C ATOM 510 O GLU A 126 24.629 -9.831 -11.174 1.00 71.40 O ATOM 511 CB GLU A 126 21.718 -9.916 -12.373 1.00 12.21 C ATOM 512 CG GLU A 126 21.649 -8.759 -13.362 1.00 13.43 C ATOM 513 CD GLU A 126 22.683 -8.870 -14.461 1.00 71.24 C ATOM 514 OE1 GLU A 126 23.800 -8.332 -14.303 1.00 32.40 O ATOM 515 OE2 GLU A 126 22.388 -9.507 -15.493 1.00 45.10 O ATOM 0 H GLU A 126 20.702 -8.109 -10.988 1.00 35.43 H new ATOM 0 HA GLU A 126 22.228 -10.421 -10.357 1.00 61.44 H new ATOM 0 HB2 GLU A 126 22.354 -10.697 -12.790 1.00 12.21 H new ATOM 0 HB3 GLU A 126 20.721 -10.342 -12.261 1.00 12.21 H new ATOM 0 HG2 GLU A 126 20.654 -8.725 -13.806 1.00 13.43 H new ATOM 0 HG3 GLU A 126 21.792 -7.820 -12.827 1.00 13.43 H new ATOM 522 N GLN A 127 23.840 -7.726 -11.059 1.00 53.22 N ATOM 523 CA GLN A 127 25.147 -7.089 -11.087 1.00 53.31 C ATOM 524 C GLN A 127 25.892 -7.343 -9.782 1.00 23.03 C ATOM 525 O GLN A 127 27.112 -7.202 -9.708 1.00 74.25 O ATOM 526 CB GLN A 127 24.976 -5.589 -11.298 1.00 30.22 C ATOM 527 CG GLN A 127 24.306 -5.232 -12.616 1.00 5.31 C ATOM 528 CD GLN A 127 23.833 -3.793 -12.667 1.00 63.32 C ATOM 529 OE1 GLN A 127 23.873 -3.152 -13.717 1.00 31.01 O ATOM 530 NE2 GLN A 127 23.324 -3.293 -11.550 1.00 22.45 N ATOM 0 H GLN A 127 23.060 -7.070 -11.016 1.00 53.22 H new ATOM 0 HA GLN A 127 25.728 -7.511 -11.907 1.00 53.31 H new ATOM 0 HB2 GLN A 127 24.386 -5.180 -10.478 1.00 30.22 H new ATOM 0 HB3 GLN A 127 25.955 -5.111 -11.256 1.00 30.22 H new ATOM 0 HG2 GLN A 127 25.006 -5.408 -13.433 1.00 5.31 H new ATOM 0 HG3 GLN A 127 23.455 -5.895 -12.776 1.00 5.31 H new ATOM 0 HE21 GLN A 127 23.309 -3.856 -10.700 1.00 22.45 H new ATOM 0 HE22 GLN A 127 22.947 -2.345 -11.541 1.00 22.45 H new ATOM 539 N TYR A 128 25.144 -7.712 -8.751 1.00 45.44 N ATOM 540 CA TYR A 128 25.717 -7.964 -7.441 1.00 51.44 C ATOM 541 C TYR A 128 26.111 -9.428 -7.295 1.00 0.12 C ATOM 542 O TYR A 128 27.109 -9.747 -6.647 1.00 20.22 O ATOM 543 CB TYR A 128 24.728 -7.573 -6.341 1.00 11.24 C ATOM 544 CG TYR A 128 24.477 -6.083 -6.244 1.00 43.12 C ATOM 545 CD1 TYR A 128 25.100 -5.326 -5.264 1.00 4.13 C ATOM 546 CD2 TYR A 128 23.611 -5.437 -7.121 1.00 20.44 C ATOM 547 CE1 TYR A 128 24.871 -3.969 -5.155 1.00 60.13 C ATOM 548 CE2 TYR A 128 23.380 -4.077 -7.024 1.00 75.30 C ATOM 549 CZ TYR A 128 24.012 -3.348 -6.037 1.00 55.34 C ATOM 550 OH TYR A 128 23.779 -1.995 -5.925 1.00 63.12 O ATOM 0 H TYR A 128 24.134 -7.843 -8.800 1.00 45.44 H new ATOM 0 HA TYR A 128 26.614 -7.354 -7.341 1.00 51.44 H new ATOM 0 HB2 TYR A 128 23.780 -8.080 -6.521 1.00 11.24 H new ATOM 0 HB3 TYR A 128 25.105 -7.931 -5.383 1.00 11.24 H new ATOM 0 HD1 TYR A 128 25.777 -5.807 -4.573 1.00 4.13 H new ATOM 0 HD2 TYR A 128 23.111 -6.007 -7.890 1.00 20.44 H new ATOM 0 HE1 TYR A 128 25.362 -3.396 -4.382 1.00 60.13 H new ATOM 0 HE2 TYR A 128 22.710 -3.589 -7.716 1.00 75.30 H new ATOM 0 HH TYR A 128 22.889 -1.786 -6.279 1.00 63.12 H new ATOM 560 N GLY A 129 25.331 -10.315 -7.902 1.00 21.12 N ATOM 561 CA GLY A 129 25.648 -11.725 -7.835 1.00 74.25 C ATOM 562 C GLY A 129 24.594 -12.607 -8.472 1.00 62.04 C ATOM 563 O GLY A 129 23.698 -12.124 -9.170 1.00 11.10 O ATOM 0 H GLY A 129 24.492 -10.084 -8.434 1.00 21.12 H new ATOM 0 HA2 GLY A 129 26.604 -11.899 -8.328 1.00 74.25 H new ATOM 0 HA3 GLY A 129 25.771 -12.014 -6.791 1.00 74.25 H new ATOM 567 N LYS A 130 24.713 -13.904 -8.220 1.00 3.00 N ATOM 568 CA LYS A 130 23.821 -14.902 -8.779 1.00 41.43 C ATOM 569 C LYS A 130 22.463 -14.888 -8.090 1.00 2.34 C ATOM 570 O LYS A 130 22.344 -15.161 -6.890 1.00 45.13 O ATOM 571 CB LYS A 130 24.477 -16.278 -8.665 1.00 62.24 C ATOM 572 CG LYS A 130 23.535 -17.437 -8.913 1.00 23.21 C ATOM 573 CD LYS A 130 24.292 -18.747 -9.011 1.00 34.20 C ATOM 574 CE LYS A 130 23.341 -19.907 -9.210 1.00 64.21 C ATOM 575 NZ LYS A 130 24.055 -21.207 -9.308 1.00 15.12 N ATOM 0 H LYS A 130 25.438 -14.292 -7.617 1.00 3.00 H new ATOM 0 HA LYS A 130 23.646 -14.668 -9.829 1.00 41.43 H new ATOM 0 HB2 LYS A 130 25.301 -16.335 -9.376 1.00 62.24 H new ATOM 0 HB3 LYS A 130 24.908 -16.381 -7.669 1.00 62.24 H new ATOM 0 HG2 LYS A 130 22.805 -17.495 -8.105 1.00 23.21 H new ATOM 0 HG3 LYS A 130 22.978 -17.266 -9.834 1.00 23.21 H new ATOM 0 HD2 LYS A 130 24.997 -18.703 -9.841 1.00 34.20 H new ATOM 0 HD3 LYS A 130 24.877 -18.902 -8.104 1.00 34.20 H new ATOM 0 HE2 LYS A 130 22.636 -19.943 -8.380 1.00 64.21 H new ATOM 0 HE3 LYS A 130 22.758 -19.745 -10.117 1.00 64.21 H new ATOM 0 HZ1 LYS A 130 23.365 -21.973 -9.444 1.00 15.12 H new ATOM 0 HZ2 LYS A 130 24.709 -21.184 -10.116 1.00 15.12 H new ATOM 0 HZ3 LYS A 130 24.591 -21.375 -8.433 1.00 15.12 H new ATOM 589 N ILE A 131 21.443 -14.570 -8.865 1.00 72.10 N ATOM 590 CA ILE A 131 20.084 -14.525 -8.369 1.00 42.10 C ATOM 591 C ILE A 131 19.379 -15.846 -8.634 1.00 33.40 C ATOM 592 O ILE A 131 19.550 -16.455 -9.690 1.00 32.44 O ATOM 593 CB ILE A 131 19.286 -13.386 -9.033 1.00 24.00 C ATOM 594 CG1 ILE A 131 20.038 -12.062 -8.898 1.00 32.00 C ATOM 595 CG2 ILE A 131 17.900 -13.275 -8.417 1.00 73.31 C ATOM 596 CD1 ILE A 131 19.316 -10.890 -9.520 1.00 71.03 C ATOM 0 H ILE A 131 21.535 -14.336 -9.854 1.00 72.10 H new ATOM 0 HA ILE A 131 20.132 -14.343 -7.295 1.00 42.10 H new ATOM 0 HB ILE A 131 19.173 -13.615 -10.093 1.00 24.00 H new ATOM 0 HG12 ILE A 131 20.206 -11.855 -7.841 1.00 32.00 H new ATOM 0 HG13 ILE A 131 21.019 -12.162 -9.363 1.00 32.00 H new ATOM 0 HG21 ILE A 131 17.352 -12.465 -8.899 1.00 73.31 H new ATOM 0 HG22 ILE A 131 17.362 -14.212 -8.559 1.00 73.31 H new ATOM 0 HG23 ILE A 131 17.991 -13.067 -7.351 1.00 73.31 H new ATOM 0 HD11 ILE A 131 19.908 -9.985 -9.386 1.00 71.03 H new ATOM 0 HD12 ILE A 131 19.172 -11.075 -10.584 1.00 71.03 H new ATOM 0 HD13 ILE A 131 18.346 -10.763 -9.039 1.00 71.03 H new ATOM 608 N GLU A 132 18.603 -16.288 -7.666 1.00 52.32 N ATOM 609 CA GLU A 132 17.804 -17.489 -7.807 1.00 21.11 C ATOM 610 C GLU A 132 16.483 -17.178 -8.501 1.00 45.20 C ATOM 611 O GLU A 132 16.294 -17.504 -9.674 1.00 74.21 O ATOM 612 CB GLU A 132 17.565 -18.102 -6.430 1.00 23.14 C ATOM 613 CG GLU A 132 18.753 -18.895 -5.924 1.00 55.22 C ATOM 614 CD GLU A 132 18.808 -20.277 -6.530 1.00 34.35 C ATOM 615 OE1 GLU A 132 18.326 -21.232 -5.883 1.00 42.31 O ATOM 616 OE2 GLU A 132 19.313 -20.413 -7.660 1.00 61.43 O ATOM 0 H GLU A 132 18.508 -15.827 -6.761 1.00 52.32 H new ATOM 0 HA GLU A 132 18.341 -18.207 -8.426 1.00 21.11 H new ATOM 0 HB2 GLU A 132 17.335 -17.308 -5.719 1.00 23.14 H new ATOM 0 HB3 GLU A 132 16.692 -18.753 -6.474 1.00 23.14 H new ATOM 0 HG2 GLU A 132 19.673 -18.359 -6.158 1.00 55.22 H new ATOM 0 HG3 GLU A 132 18.699 -18.977 -4.838 1.00 55.22 H new ATOM 623 N VAL A 133 15.582 -16.522 -7.784 1.00 41.14 N ATOM 624 CA VAL A 133 14.269 -16.181 -8.319 1.00 74.50 C ATOM 625 C VAL A 133 13.839 -14.800 -7.842 1.00 53.24 C ATOM 626 O VAL A 133 14.259 -14.345 -6.775 1.00 72.31 O ATOM 627 CB VAL A 133 13.185 -17.212 -7.911 1.00 54.44 C ATOM 628 CG1 VAL A 133 13.427 -18.557 -8.583 1.00 70.24 C ATOM 629 CG2 VAL A 133 13.130 -17.375 -6.398 1.00 74.43 C ATOM 0 H VAL A 133 15.737 -16.213 -6.824 1.00 41.14 H new ATOM 0 HA VAL A 133 14.362 -16.190 -9.405 1.00 74.50 H new ATOM 0 HB VAL A 133 12.222 -16.831 -8.250 1.00 54.44 H new ATOM 0 HG11 VAL A 133 12.652 -19.260 -8.279 1.00 70.24 H new ATOM 0 HG12 VAL A 133 13.400 -18.433 -9.666 1.00 70.24 H new ATOM 0 HG13 VAL A 133 14.403 -18.942 -8.286 1.00 70.24 H new ATOM 0 HG21 VAL A 133 12.362 -18.103 -6.138 1.00 74.43 H new ATOM 0 HG22 VAL A 133 14.097 -17.722 -6.034 1.00 74.43 H new ATOM 0 HG23 VAL A 133 12.892 -16.416 -5.937 1.00 74.43 H new ATOM 639 N ILE A 134 13.015 -14.133 -8.636 1.00 13.11 N ATOM 640 CA ILE A 134 12.470 -12.841 -8.249 1.00 61.51 C ATOM 641 C ILE A 134 11.016 -13.004 -7.851 1.00 1.14 C ATOM 642 O ILE A 134 10.150 -13.232 -8.696 1.00 25.41 O ATOM 643 CB ILE A 134 12.566 -11.788 -9.371 1.00 10.54 C ATOM 644 CG1 ILE A 134 13.980 -11.729 -9.955 1.00 54.10 C ATOM 645 CG2 ILE A 134 12.162 -10.421 -8.834 1.00 71.44 C ATOM 646 CD1 ILE A 134 15.036 -11.346 -8.951 1.00 34.50 C ATOM 0 H ILE A 134 12.710 -14.465 -9.551 1.00 13.11 H new ATOM 0 HA ILE A 134 13.068 -12.483 -7.411 1.00 61.51 H new ATOM 0 HB ILE A 134 11.884 -12.077 -10.171 1.00 10.54 H new ATOM 0 HG12 ILE A 134 14.230 -12.702 -10.378 1.00 54.10 H new ATOM 0 HG13 ILE A 134 13.995 -11.012 -10.776 1.00 54.10 H new ATOM 0 HG21 ILE A 134 12.232 -9.682 -9.632 1.00 71.44 H new ATOM 0 HG22 ILE A 134 11.137 -10.463 -8.467 1.00 71.44 H new ATOM 0 HG23 ILE A 134 12.828 -10.139 -8.018 1.00 71.44 H new ATOM 0 HD11 ILE A 134 16.011 -11.325 -9.438 1.00 34.50 H new ATOM 0 HD12 ILE A 134 14.812 -10.359 -8.546 1.00 34.50 H new ATOM 0 HD13 ILE A 134 15.050 -12.076 -8.142 1.00 34.50 H new ATOM 658 N GLU A 135 10.756 -12.896 -6.565 1.00 13.43 N ATOM 659 CA GLU A 135 9.424 -13.115 -6.045 1.00 2.45 C ATOM 660 C GLU A 135 8.632 -11.817 -6.038 1.00 34.24 C ATOM 661 O GLU A 135 8.765 -10.990 -5.134 1.00 51.43 O ATOM 662 CB GLU A 135 9.505 -13.721 -4.646 1.00 15.31 C ATOM 663 CG GLU A 135 10.120 -15.112 -4.643 1.00 4.24 C ATOM 664 CD GLU A 135 10.461 -15.608 -3.255 1.00 63.42 C ATOM 665 OE1 GLU A 135 9.758 -15.244 -2.292 1.00 51.14 O ATOM 666 OE2 GLU A 135 11.433 -16.381 -3.122 1.00 64.45 O ATOM 0 H GLU A 135 11.452 -12.657 -5.859 1.00 13.43 H new ATOM 0 HA GLU A 135 8.901 -13.818 -6.694 1.00 2.45 H new ATOM 0 HB2 GLU A 135 10.095 -13.066 -4.005 1.00 15.31 H new ATOM 0 HB3 GLU A 135 8.504 -13.770 -4.217 1.00 15.31 H new ATOM 0 HG2 GLU A 135 9.426 -15.810 -5.111 1.00 4.24 H new ATOM 0 HG3 GLU A 135 11.024 -15.104 -5.252 1.00 4.24 H new ATOM 673 N ILE A 136 7.838 -11.626 -7.080 1.00 34.14 N ATOM 674 CA ILE A 136 6.994 -10.450 -7.193 1.00 51.12 C ATOM 675 C ILE A 136 5.744 -10.639 -6.347 1.00 4.32 C ATOM 676 O ILE A 136 5.068 -11.664 -6.458 1.00 74.22 O ATOM 677 CB ILE A 136 6.569 -10.195 -8.655 1.00 0.01 C ATOM 678 CG1 ILE A 136 7.765 -10.332 -9.596 1.00 40.32 C ATOM 679 CG2 ILE A 136 5.955 -8.809 -8.790 1.00 21.51 C ATOM 680 CD1 ILE A 136 7.386 -10.279 -11.061 1.00 23.25 C ATOM 0 H ILE A 136 7.761 -12.275 -7.863 1.00 34.14 H new ATOM 0 HA ILE A 136 7.569 -9.592 -6.844 1.00 51.12 H new ATOM 0 HB ILE A 136 5.824 -10.941 -8.931 1.00 0.01 H new ATOM 0 HG12 ILE A 136 8.478 -9.535 -9.384 1.00 40.32 H new ATOM 0 HG13 ILE A 136 8.271 -11.276 -9.393 1.00 40.32 H new ATOM 0 HG21 ILE A 136 5.659 -8.641 -9.826 1.00 21.51 H new ATOM 0 HG22 ILE A 136 5.079 -8.735 -8.146 1.00 21.51 H new ATOM 0 HG23 ILE A 136 6.687 -8.057 -8.495 1.00 21.51 H new ATOM 0 HD11 ILE A 136 8.282 -10.382 -11.673 1.00 23.25 H new ATOM 0 HD12 ILE A 136 6.696 -11.092 -11.288 1.00 23.25 H new ATOM 0 HD13 ILE A 136 6.906 -9.325 -11.278 1.00 23.25 H new ATOM 692 N MET A 137 5.442 -9.675 -5.491 1.00 40.53 N ATOM 693 CA MET A 137 4.249 -9.761 -4.669 1.00 73.11 C ATOM 694 C MET A 137 3.021 -9.381 -5.479 1.00 11.54 C ATOM 695 O MET A 137 2.776 -8.203 -5.761 1.00 62.22 O ATOM 696 CB MET A 137 4.376 -8.889 -3.418 1.00 63.32 C ATOM 697 CG MET A 137 3.121 -8.851 -2.554 1.00 41.23 C ATOM 698 SD MET A 137 2.386 -10.481 -2.284 1.00 23.52 S ATOM 699 CE MET A 137 3.785 -11.396 -1.641 1.00 34.11 C ATOM 0 H MET A 137 6.001 -8.833 -5.349 1.00 40.53 H new ATOM 0 HA MET A 137 4.135 -10.793 -4.338 1.00 73.11 H new ATOM 0 HB2 MET A 137 5.207 -9.256 -2.816 1.00 63.32 H new ATOM 0 HB3 MET A 137 4.626 -7.872 -3.721 1.00 63.32 H new ATOM 0 HG2 MET A 137 3.366 -8.407 -1.589 1.00 41.23 H new ATOM 0 HG3 MET A 137 2.384 -8.202 -3.026 1.00 41.23 H new ATOM 0 HE1 MET A 137 3.450 -12.061 -0.845 1.00 34.11 H new ATOM 0 HE2 MET A 137 4.233 -11.985 -2.441 1.00 34.11 H new ATOM 0 HE3 MET A 137 4.524 -10.700 -1.245 1.00 34.11 H new ATOM 859 N PHE A 148 5.488 -4.152 -3.263 1.00 45.21 N ATOM 860 CA PHE A 148 6.847 -4.589 -2.957 1.00 63.42 C ATOM 861 C PHE A 148 7.187 -5.907 -3.643 1.00 70.40 C ATOM 862 O PHE A 148 6.304 -6.628 -4.115 1.00 41.23 O ATOM 863 CB PHE A 148 7.041 -4.725 -1.440 1.00 62.15 C ATOM 864 CG PHE A 148 6.038 -5.621 -0.757 1.00 73.34 C ATOM 865 CD1 PHE A 148 6.251 -6.988 -0.675 1.00 42.25 C ATOM 866 CD2 PHE A 148 4.890 -5.095 -0.190 1.00 50.12 C ATOM 867 CE1 PHE A 148 5.337 -7.810 -0.042 1.00 71.05 C ATOM 868 CE2 PHE A 148 3.972 -5.914 0.443 1.00 45.31 C ATOM 869 CZ PHE A 148 4.197 -7.273 0.517 1.00 13.23 C ATOM 0 HA PHE A 148 7.525 -3.826 -3.340 1.00 63.42 H new ATOM 0 HB2 PHE A 148 8.043 -5.110 -1.248 1.00 62.15 H new ATOM 0 HB3 PHE A 148 6.989 -3.734 -0.990 1.00 62.15 H new ATOM 0 HD1 PHE A 148 7.142 -7.416 -1.111 1.00 42.25 H new ATOM 0 HD2 PHE A 148 4.709 -4.032 -0.242 1.00 50.12 H new ATOM 0 HE1 PHE A 148 5.516 -8.874 0.015 1.00 71.05 H new ATOM 0 HE2 PHE A 148 3.080 -5.490 0.879 1.00 45.31 H new ATOM 0 HZ PHE A 148 3.482 -7.914 1.011 1.00 13.23 H new ATOM 879 N ALA A 149 8.473 -6.218 -3.688 1.00 1.21 N ATOM 880 CA ALA A 149 8.942 -7.453 -4.289 1.00 42.44 C ATOM 881 C ALA A 149 10.150 -7.983 -3.533 1.00 41.45 C ATOM 882 O ALA A 149 10.723 -7.288 -2.689 1.00 63.23 O ATOM 883 CB ALA A 149 9.283 -7.240 -5.755 1.00 50.41 C ATOM 0 H ALA A 149 9.214 -5.626 -3.312 1.00 1.21 H new ATOM 0 HA ALA A 149 8.142 -8.191 -4.228 1.00 42.44 H new ATOM 0 HB1 ALA A 149 9.633 -8.178 -6.187 1.00 50.41 H new ATOM 0 HB2 ALA A 149 8.395 -6.903 -6.290 1.00 50.41 H new ATOM 0 HB3 ALA A 149 10.066 -6.487 -5.841 1.00 50.41 H new ATOM 889 N PHE A 150 10.535 -9.210 -3.840 1.00 44.24 N ATOM 890 CA PHE A 150 11.637 -9.858 -3.152 1.00 0.25 C ATOM 891 C PHE A 150 12.605 -10.453 -4.154 1.00 73.44 C ATOM 892 O PHE A 150 12.202 -10.930 -5.215 1.00 24.30 O ATOM 893 CB PHE A 150 11.123 -10.960 -2.224 1.00 42.14 C ATOM 894 CG PHE A 150 10.114 -10.485 -1.225 1.00 43.31 C ATOM 895 CD1 PHE A 150 8.761 -10.540 -1.514 1.00 52.10 C ATOM 896 CD2 PHE A 150 10.516 -9.976 -0.002 1.00 14.44 C ATOM 897 CE1 PHE A 150 7.829 -10.096 -0.602 1.00 31.42 C ATOM 898 CE2 PHE A 150 9.586 -9.532 0.915 1.00 33.31 C ATOM 899 CZ PHE A 150 8.241 -9.591 0.614 1.00 43.20 C ATOM 0 H PHE A 150 10.098 -9.779 -4.565 1.00 44.24 H new ATOM 0 HA PHE A 150 12.152 -9.105 -2.555 1.00 0.25 H new ATOM 0 HB2 PHE A 150 10.679 -11.752 -2.827 1.00 42.14 H new ATOM 0 HB3 PHE A 150 11.968 -11.399 -1.693 1.00 42.14 H new ATOM 0 HD1 PHE A 150 8.433 -10.935 -2.464 1.00 52.10 H new ATOM 0 HD2 PHE A 150 11.568 -9.926 0.237 1.00 14.44 H new ATOM 0 HE1 PHE A 150 6.776 -10.143 -0.839 1.00 31.42 H new ATOM 0 HE2 PHE A 150 9.910 -9.139 1.867 1.00 33.31 H new ATOM 0 HZ PHE A 150 7.511 -9.242 1.330 1.00 43.20 H new ATOM 909 N VAL A 151 13.878 -10.420 -3.822 1.00 21.44 N ATOM 910 CA VAL A 151 14.898 -10.973 -4.690 1.00 54.21 C ATOM 911 C VAL A 151 15.654 -12.072 -3.959 1.00 50.51 C ATOM 912 O VAL A 151 16.405 -11.797 -3.022 1.00 53.25 O ATOM 913 CB VAL A 151 15.892 -9.890 -5.162 1.00 42.03 C ATOM 914 CG1 VAL A 151 16.796 -10.427 -6.259 1.00 40.31 C ATOM 915 CG2 VAL A 151 15.154 -8.649 -5.637 1.00 52.40 C ATOM 0 H VAL A 151 14.233 -10.015 -2.956 1.00 21.44 H new ATOM 0 HA VAL A 151 14.401 -11.383 -5.570 1.00 54.21 H new ATOM 0 HB VAL A 151 16.515 -9.612 -4.312 1.00 42.03 H new ATOM 0 HG11 VAL A 151 17.488 -9.646 -6.575 1.00 40.31 H new ATOM 0 HG12 VAL A 151 17.360 -11.280 -5.881 1.00 40.31 H new ATOM 0 HG13 VAL A 151 16.190 -10.741 -7.109 1.00 40.31 H new ATOM 0 HG21 VAL A 151 15.875 -7.900 -5.965 1.00 52.40 H new ATOM 0 HG22 VAL A 151 14.500 -8.911 -6.468 1.00 52.40 H new ATOM 0 HG23 VAL A 151 14.557 -8.245 -4.819 1.00 52.40 H new ATOM 925 N THR A 152 15.424 -13.313 -4.357 1.00 4.24 N ATOM 926 CA THR A 152 16.112 -14.443 -3.757 1.00 62.33 C ATOM 927 C THR A 152 17.418 -14.714 -4.488 1.00 1.01 C ATOM 928 O THR A 152 17.428 -14.918 -5.698 1.00 32.55 O ATOM 929 CB THR A 152 15.242 -15.715 -3.777 1.00 11.20 C ATOM 930 OG1 THR A 152 13.999 -15.458 -3.117 1.00 43.44 O ATOM 931 CG2 THR A 152 15.957 -16.869 -3.088 1.00 44.42 C ATOM 0 H THR A 152 14.765 -13.563 -5.094 1.00 4.24 H new ATOM 0 HA THR A 152 16.318 -14.184 -2.718 1.00 62.33 H new ATOM 0 HB THR A 152 15.057 -15.992 -4.815 1.00 11.20 H new ATOM 0 HG1 THR A 152 13.313 -16.067 -3.462 1.00 43.44 H new ATOM 0 HG21 THR A 152 15.325 -17.756 -3.114 1.00 44.42 H new ATOM 0 HG22 THR A 152 16.894 -17.076 -3.604 1.00 44.42 H new ATOM 0 HG23 THR A 152 16.165 -16.602 -2.052 1.00 44.42 H new ATOM 939 N PHE A 153 18.511 -14.711 -3.751 1.00 33.11 N ATOM 940 CA PHE A 153 19.820 -14.954 -4.327 1.00 41.44 C ATOM 941 C PHE A 153 20.295 -16.352 -3.958 1.00 62.20 C ATOM 942 O PHE A 153 19.874 -16.909 -2.943 1.00 61.24 O ATOM 943 CB PHE A 153 20.819 -13.908 -3.826 1.00 73.22 C ATOM 944 CG PHE A 153 20.457 -12.497 -4.195 1.00 54.41 C ATOM 945 CD1 PHE A 153 20.953 -11.923 -5.353 1.00 22.10 C ATOM 946 CD2 PHE A 153 19.622 -11.745 -3.383 1.00 54.30 C ATOM 947 CE1 PHE A 153 20.624 -10.627 -5.694 1.00 61.22 C ATOM 948 CE2 PHE A 153 19.290 -10.451 -3.720 1.00 1.22 C ATOM 949 CZ PHE A 153 19.791 -9.891 -4.876 1.00 75.43 C ATOM 0 H PHE A 153 18.519 -14.542 -2.745 1.00 33.11 H new ATOM 0 HA PHE A 153 19.750 -14.878 -5.412 1.00 41.44 H new ATOM 0 HB2 PHE A 153 20.894 -13.982 -2.741 1.00 73.22 H new ATOM 0 HB3 PHE A 153 21.805 -14.138 -4.230 1.00 73.22 H new ATOM 0 HD1 PHE A 153 21.604 -12.496 -5.996 1.00 22.10 H new ATOM 0 HD2 PHE A 153 19.227 -12.178 -2.476 1.00 54.30 H new ATOM 0 HE1 PHE A 153 21.018 -10.189 -6.599 1.00 61.22 H new ATOM 0 HE2 PHE A 153 18.638 -9.876 -3.079 1.00 1.22 H new ATOM 0 HZ PHE A 153 19.532 -8.877 -5.141 1.00 75.43 H new ATOM 959 N ASP A 154 21.148 -16.931 -4.793 1.00 24.13 N ATOM 960 CA ASP A 154 21.720 -18.242 -4.499 1.00 52.03 C ATOM 961 C ASP A 154 22.684 -18.147 -3.328 1.00 51.24 C ATOM 962 O ASP A 154 22.827 -19.082 -2.537 1.00 71.53 O ATOM 963 CB ASP A 154 22.451 -18.796 -5.723 1.00 0.21 C ATOM 964 CG ASP A 154 23.177 -20.095 -5.425 1.00 44.00 C ATOM 965 OD1 ASP A 154 24.408 -20.062 -5.221 1.00 24.15 O ATOM 966 OD2 ASP A 154 22.519 -21.154 -5.390 1.00 12.24 O ATOM 0 H ASP A 154 21.458 -16.519 -5.673 1.00 24.13 H new ATOM 0 HA ASP A 154 20.906 -18.918 -4.238 1.00 52.03 H new ATOM 0 HB2 ASP A 154 21.734 -18.960 -6.527 1.00 0.21 H new ATOM 0 HB3 ASP A 154 23.167 -18.056 -6.080 1.00 0.21 H new ATOM 971 N ASP A 155 23.314 -16.996 -3.206 1.00 61.45 N ATOM 972 CA ASP A 155 24.343 -16.792 -2.190 1.00 23.41 C ATOM 973 C ASP A 155 23.971 -15.628 -1.296 1.00 13.32 C ATOM 974 O ASP A 155 23.388 -14.650 -1.757 1.00 53.10 O ATOM 975 CB ASP A 155 25.705 -16.510 -2.830 1.00 72.23 C ATOM 976 CG ASP A 155 26.860 -16.889 -1.924 1.00 4.31 C ATOM 977 OD1 ASP A 155 27.605 -17.834 -2.268 1.00 55.22 O ATOM 978 OD2 ASP A 155 27.023 -16.263 -0.862 1.00 13.14 O ATOM 0 H ASP A 155 23.136 -16.183 -3.796 1.00 61.45 H new ATOM 0 HA ASP A 155 24.411 -17.707 -1.601 1.00 23.41 H new ATOM 0 HB2 ASP A 155 25.785 -17.063 -3.766 1.00 72.23 H new ATOM 0 HB3 ASP A 155 25.774 -15.451 -3.078 1.00 72.23 H new ATOM 983 N HIS A 156 24.326 -15.728 -0.026 1.00 34.24 N ATOM 984 CA HIS A 156 24.040 -14.671 0.931 1.00 32.25 C ATOM 985 C HIS A 156 25.093 -13.566 0.854 1.00 33.30 C ATOM 986 O HIS A 156 24.897 -12.471 1.384 1.00 51.15 O ATOM 987 CB HIS A 156 23.956 -15.240 2.357 1.00 43.40 C ATOM 988 CG HIS A 156 25.151 -16.049 2.777 1.00 54.34 C ATOM 989 ND1 HIS A 156 25.023 -17.355 3.195 1.00 43.25 N ATOM 990 CD2 HIS A 156 26.456 -15.691 2.850 1.00 2.01 C ATOM 991 CE1 HIS A 156 26.243 -17.754 3.510 1.00 43.25 C ATOM 992 NE2 HIS A 156 27.141 -16.780 3.317 1.00 71.33 N ATOM 0 H HIS A 156 24.814 -16.533 0.368 1.00 34.24 H new ATOM 0 HA HIS A 156 23.073 -14.236 0.676 1.00 32.25 H new ATOM 0 HB2 HIS A 156 23.828 -14.414 3.057 1.00 43.40 H new ATOM 0 HB3 HIS A 156 23.066 -15.864 2.434 1.00 43.40 H new ATOM 0 HD2 HIS A 156 26.875 -14.730 2.590 1.00 2.01 H new ATOM 0 HE1 HIS A 156 26.485 -18.741 3.877 1.00 43.25 H new ATOM 0 HE2 HIS A 156 28.145 -16.838 3.486 1.00 71.33 H new ATOM 1000 N ASP A 157 26.204 -13.852 0.178 1.00 3.03 N ATOM 1001 CA ASP A 157 27.300 -12.891 0.070 1.00 31.51 C ATOM 1002 C ASP A 157 26.924 -11.757 -0.874 1.00 11.11 C ATOM 1003 O ASP A 157 27.160 -10.585 -0.584 1.00 51.02 O ATOM 1004 CB ASP A 157 28.573 -13.583 -0.419 1.00 22.51 C ATOM 1005 CG ASP A 157 29.773 -12.661 -0.420 1.00 51.43 C ATOM 1006 OD1 ASP A 157 30.058 -12.048 -1.463 1.00 41.41 O ATOM 1007 OD2 ASP A 157 30.442 -12.548 0.631 1.00 34.43 O ATOM 0 H ASP A 157 26.369 -14.737 -0.301 1.00 3.03 H new ATOM 0 HA ASP A 157 27.488 -12.474 1.059 1.00 31.51 H new ATOM 0 HB2 ASP A 157 28.781 -14.444 0.217 1.00 22.51 H new ATOM 0 HB3 ASP A 157 28.411 -13.963 -1.428 1.00 22.51 H new ATOM 1012 N SER A 158 26.325 -12.119 -1.999 1.00 62.41 N ATOM 1013 CA SER A 158 25.830 -11.143 -2.961 1.00 41.01 C ATOM 1014 C SER A 158 24.726 -10.290 -2.337 1.00 70.13 C ATOM 1015 O SER A 158 24.531 -9.134 -2.709 1.00 2.21 O ATOM 1016 CB SER A 158 25.309 -11.869 -4.199 1.00 23.05 C ATOM 1017 OG SER A 158 26.286 -12.773 -4.692 1.00 53.52 O ATOM 0 H SER A 158 26.169 -13.090 -2.270 1.00 62.41 H new ATOM 0 HA SER A 158 26.646 -10.481 -3.251 1.00 41.01 H new ATOM 0 HB2 SER A 158 24.395 -12.410 -3.953 1.00 23.05 H new ATOM 0 HB3 SER A 158 25.052 -11.144 -4.972 1.00 23.05 H new ATOM 0 HG SER A 158 25.841 -13.532 -5.124 1.00 53.52 H new ATOM 1023 N VAL A 159 24.022 -10.873 -1.375 1.00 5.13 N ATOM 1024 CA VAL A 159 22.974 -10.169 -0.652 1.00 21.20 C ATOM 1025 C VAL A 159 23.584 -9.121 0.269 1.00 71.24 C ATOM 1026 O VAL A 159 23.038 -8.030 0.441 1.00 75.23 O ATOM 1027 CB VAL A 159 22.128 -11.144 0.189 1.00 34.43 C ATOM 1028 CG1 VAL A 159 20.948 -10.436 0.818 1.00 32.34 C ATOM 1029 CG2 VAL A 159 21.660 -12.315 -0.653 1.00 62.33 C ATOM 0 H VAL A 159 24.160 -11.839 -1.077 1.00 5.13 H new ATOM 0 HA VAL A 159 22.330 -9.687 -1.388 1.00 21.20 H new ATOM 0 HB VAL A 159 22.759 -11.528 0.991 1.00 34.43 H new ATOM 0 HG11 VAL A 159 20.368 -11.147 1.406 1.00 32.34 H new ATOM 0 HG12 VAL A 159 21.307 -9.637 1.466 1.00 32.34 H new ATOM 0 HG13 VAL A 159 20.318 -10.013 0.035 1.00 32.34 H new ATOM 0 HG21 VAL A 159 21.065 -12.990 -0.038 1.00 62.33 H new ATOM 0 HG22 VAL A 159 21.054 -11.948 -1.481 1.00 62.33 H new ATOM 0 HG23 VAL A 159 22.525 -12.850 -1.046 1.00 62.33 H new ATOM 1039 N ASP A 160 24.731 -9.459 0.847 1.00 63.52 N ATOM 1040 CA ASP A 160 25.419 -8.568 1.773 1.00 14.41 C ATOM 1041 C ASP A 160 25.781 -7.253 1.093 1.00 4.12 C ATOM 1042 O ASP A 160 25.698 -6.196 1.704 1.00 32.53 O ATOM 1043 CB ASP A 160 26.680 -9.233 2.328 1.00 51.23 C ATOM 1044 CG ASP A 160 27.383 -8.372 3.360 1.00 51.42 C ATOM 1045 OD1 ASP A 160 27.025 -8.457 4.554 1.00 74.53 O ATOM 1046 OD2 ASP A 160 28.307 -7.621 2.986 1.00 74.14 O ATOM 0 H ASP A 160 25.206 -10.348 0.689 1.00 63.52 H new ATOM 0 HA ASP A 160 24.741 -8.357 2.600 1.00 14.41 H new ATOM 0 HB2 ASP A 160 26.415 -10.190 2.777 1.00 51.23 H new ATOM 0 HB3 ASP A 160 27.366 -9.445 1.508 1.00 51.23 H new ATOM 1051 N LYS A 161 26.147 -7.326 -0.186 1.00 43.23 N ATOM 1052 CA LYS A 161 26.493 -6.130 -0.964 1.00 23.11 C ATOM 1053 C LYS A 161 25.301 -5.181 -1.030 1.00 65.44 C ATOM 1054 O LYS A 161 25.449 -3.973 -1.215 1.00 44.04 O ATOM 1055 CB LYS A 161 26.874 -6.495 -2.405 1.00 72.22 C ATOM 1056 CG LYS A 161 27.544 -7.848 -2.595 1.00 34.31 C ATOM 1057 CD LYS A 161 28.877 -7.948 -1.881 1.00 64.42 C ATOM 1058 CE LYS A 161 29.655 -9.154 -2.370 1.00 0.42 C ATOM 1059 NZ LYS A 161 30.990 -9.259 -1.731 1.00 73.13 N ATOM 0 H LYS A 161 26.213 -8.200 -0.708 1.00 43.23 H new ATOM 0 HA LYS A 161 27.339 -5.657 -0.466 1.00 23.11 H new ATOM 0 HB2 LYS A 161 25.972 -6.470 -3.016 1.00 72.22 H new ATOM 0 HB3 LYS A 161 27.541 -5.724 -2.790 1.00 72.22 H new ATOM 0 HG2 LYS A 161 26.881 -8.632 -2.228 1.00 34.31 H new ATOM 0 HG3 LYS A 161 27.693 -8.029 -3.660 1.00 34.31 H new ATOM 0 HD2 LYS A 161 29.456 -7.041 -2.052 1.00 64.42 H new ATOM 0 HD3 LYS A 161 28.715 -8.024 -0.806 1.00 64.42 H new ATOM 0 HE2 LYS A 161 29.084 -10.060 -2.165 1.00 0.42 H new ATOM 0 HE3 LYS A 161 29.776 -9.092 -3.451 1.00 0.42 H new ATOM 0 HZ1 LYS A 161 31.723 -8.971 -2.410 1.00 73.13 H new ATOM 0 HZ2 LYS A 161 31.026 -8.637 -0.898 1.00 73.13 H new ATOM 0 HZ3 LYS A 161 31.158 -10.242 -1.437 1.00 73.13 H new ATOM 1073 N ILE A 162 24.123 -5.751 -0.881 1.00 33.12 N ATOM 1074 CA ILE A 162 22.882 -5.026 -1.053 1.00 32.20 C ATOM 1075 C ILE A 162 22.346 -4.522 0.279 1.00 13.14 C ATOM 1076 O ILE A 162 22.040 -3.340 0.424 1.00 4.00 O ATOM 1077 CB ILE A 162 21.845 -5.944 -1.721 1.00 40.03 C ATOM 1078 CG1 ILE A 162 22.367 -6.385 -3.088 1.00 23.33 C ATOM 1079 CG2 ILE A 162 20.498 -5.254 -1.851 1.00 50.01 C ATOM 1080 CD1 ILE A 162 21.555 -7.484 -3.722 1.00 63.12 C ATOM 0 H ILE A 162 23.999 -6.733 -0.636 1.00 33.12 H new ATOM 0 HA ILE A 162 23.073 -4.159 -1.686 1.00 32.20 H new ATOM 0 HB ILE A 162 21.696 -6.822 -1.093 1.00 40.03 H new ATOM 0 HG12 ILE A 162 22.381 -5.524 -3.756 1.00 23.33 H new ATOM 0 HG13 ILE A 162 23.398 -6.723 -2.981 1.00 23.33 H new ATOM 0 HG21 ILE A 162 19.787 -5.930 -2.327 1.00 50.01 H new ATOM 0 HG22 ILE A 162 20.132 -4.981 -0.861 1.00 50.01 H new ATOM 0 HG23 ILE A 162 20.607 -4.355 -2.458 1.00 50.01 H new ATOM 0 HD11 ILE A 162 21.986 -7.743 -4.689 1.00 63.12 H new ATOM 0 HD12 ILE A 162 21.562 -8.361 -3.075 1.00 63.12 H new ATOM 0 HD13 ILE A 162 20.529 -7.144 -3.862 1.00 63.12 H new ATOM 1092 N VAL A 163 22.265 -5.421 1.251 1.00 52.12 N ATOM 1093 CA VAL A 163 21.645 -5.122 2.538 1.00 52.04 C ATOM 1094 C VAL A 163 22.465 -4.127 3.366 1.00 54.41 C ATOM 1095 O VAL A 163 21.951 -3.538 4.318 1.00 1.15 O ATOM 1096 CB VAL A 163 21.430 -6.409 3.365 1.00 24.32 C ATOM 1097 CG1 VAL A 163 20.601 -7.423 2.587 1.00 42.02 C ATOM 1098 CG2 VAL A 163 22.763 -7.010 3.781 1.00 51.13 C ATOM 0 H VAL A 163 22.624 -6.372 1.172 1.00 52.12 H new ATOM 0 HA VAL A 163 20.682 -4.666 2.310 1.00 52.04 H new ATOM 0 HB VAL A 163 20.879 -6.143 4.267 1.00 24.32 H new ATOM 0 HG11 VAL A 163 20.464 -8.320 3.190 1.00 42.02 H new ATOM 0 HG12 VAL A 163 19.628 -6.992 2.350 1.00 42.02 H new ATOM 0 HG13 VAL A 163 21.117 -7.683 1.663 1.00 42.02 H new ATOM 0 HG21 VAL A 163 22.588 -7.915 4.362 1.00 51.13 H new ATOM 0 HG22 VAL A 163 23.344 -7.256 2.892 1.00 51.13 H new ATOM 0 HG23 VAL A 163 23.313 -6.290 4.387 1.00 51.13 H new ATOM 1108 N ILE A 164 23.737 -3.953 3.015 1.00 32.21 N ATOM 1109 CA ILE A 164 24.611 -3.038 3.751 1.00 62.30 C ATOM 1110 C ILE A 164 24.199 -1.583 3.567 1.00 12.53 C ATOM 1111 O ILE A 164 24.402 -0.759 4.459 1.00 55.34 O ATOM 1112 CB ILE A 164 26.101 -3.216 3.381 1.00 31.01 C ATOM 1113 CG1 ILE A 164 26.303 -3.301 1.863 1.00 71.24 C ATOM 1114 CG2 ILE A 164 26.666 -4.448 4.069 1.00 41.33 C ATOM 1115 CD1 ILE A 164 26.557 -1.976 1.180 1.00 13.22 C ATOM 0 H ILE A 164 24.185 -4.429 2.232 1.00 32.21 H new ATOM 0 HA ILE A 164 24.493 -3.300 4.803 1.00 62.30 H new ATOM 0 HB ILE A 164 26.641 -2.336 3.730 1.00 31.01 H new ATOM 0 HG12 ILE A 164 27.143 -3.965 1.659 1.00 71.24 H new ATOM 0 HG13 ILE A 164 25.419 -3.759 1.418 1.00 71.24 H new ATOM 0 HG21 ILE A 164 27.716 -4.564 3.802 1.00 41.33 H new ATOM 0 HG22 ILE A 164 26.577 -4.334 5.149 1.00 41.33 H new ATOM 0 HG23 ILE A 164 26.110 -5.330 3.750 1.00 41.33 H new ATOM 0 HD11 ILE A 164 26.687 -2.137 0.110 1.00 13.22 H new ATOM 0 HD12 ILE A 164 25.708 -1.312 1.346 1.00 13.22 H new ATOM 0 HD13 ILE A 164 27.459 -1.522 1.591 1.00 13.22 H new ATOM 1127 N GLN A 165 23.620 -1.267 2.421 1.00 14.13 N ATOM 1128 CA GLN A 165 23.064 0.061 2.209 1.00 34.43 C ATOM 1129 C GLN A 165 21.543 -0.027 2.160 1.00 13.23 C ATOM 1130 O GLN A 165 20.980 -1.120 2.192 1.00 74.12 O ATOM 1131 CB GLN A 165 23.620 0.706 0.935 1.00 51.12 C ATOM 1132 CG GLN A 165 23.197 0.016 -0.347 1.00 40.40 C ATOM 1133 CD GLN A 165 23.688 0.740 -1.586 1.00 24.23 C ATOM 1134 OE1 GLN A 165 24.751 1.359 -1.580 1.00 24.14 O ATOM 1135 NE2 GLN A 165 22.908 0.680 -2.651 1.00 43.35 N ATOM 0 H GLN A 165 23.522 -1.903 1.630 1.00 14.13 H new ATOM 0 HA GLN A 165 23.358 0.699 3.043 1.00 34.43 H new ATOM 0 HB2 GLN A 165 23.298 1.747 0.898 1.00 51.12 H new ATOM 0 HB3 GLN A 165 24.709 0.711 0.989 1.00 51.12 H new ATOM 0 HG2 GLN A 165 23.581 -1.004 -0.350 1.00 40.40 H new ATOM 0 HG3 GLN A 165 22.110 -0.052 -0.377 1.00 40.40 H new ATOM 0 HE21 GLN A 165 22.034 0.155 -2.614 1.00 43.35 H new ATOM 0 HE22 GLN A 165 23.180 1.158 -3.510 1.00 43.35 H new ATOM 1144 N LYS A 166 20.881 1.115 2.083 1.00 53.52 N ATOM 1145 CA LYS A 166 19.430 1.151 2.170 1.00 30.32 C ATOM 1146 C LYS A 166 18.810 1.621 0.859 1.00 10.21 C ATOM 1147 O LYS A 166 18.042 0.893 0.229 1.00 73.11 O ATOM 1148 CB LYS A 166 19.024 2.081 3.315 1.00 65.14 C ATOM 1149 CG LYS A 166 17.539 2.101 3.619 1.00 25.02 C ATOM 1150 CD LYS A 166 17.229 3.118 4.703 1.00 70.40 C ATOM 1151 CE LYS A 166 15.795 3.013 5.192 1.00 73.33 C ATOM 1152 NZ LYS A 166 15.529 1.713 5.861 1.00 54.42 N ATOM 0 H LYS A 166 21.322 2.026 1.961 1.00 53.52 H new ATOM 0 HA LYS A 166 19.062 0.144 2.364 1.00 30.32 H new ATOM 0 HB2 LYS A 166 19.561 1.783 4.215 1.00 65.14 H new ATOM 0 HB3 LYS A 166 19.345 3.094 3.073 1.00 65.14 H new ATOM 0 HG2 LYS A 166 16.980 2.343 2.715 1.00 25.02 H new ATOM 0 HG3 LYS A 166 17.214 1.111 3.938 1.00 25.02 H new ATOM 0 HD2 LYS A 166 17.909 2.972 5.542 1.00 70.40 H new ATOM 0 HD3 LYS A 166 17.408 4.122 4.319 1.00 70.40 H new ATOM 0 HE2 LYS A 166 15.588 3.827 5.887 1.00 73.33 H new ATOM 0 HE3 LYS A 166 15.115 3.133 4.349 1.00 73.33 H new ATOM 0 HZ1 LYS A 166 14.657 1.784 6.424 1.00 54.42 H new ATOM 0 HZ2 LYS A 166 15.417 0.969 5.143 1.00 54.42 H new ATOM 0 HZ3 LYS A 166 16.326 1.474 6.485 1.00 54.42 H new ATOM 1166 N TYR A 167 19.144 2.839 0.459 1.00 20.31 N ATOM 1167 CA TYR A 167 18.603 3.423 -0.756 1.00 32.24 C ATOM 1168 C TYR A 167 19.285 2.853 -1.994 1.00 44.44 C ATOM 1169 O TYR A 167 20.425 3.196 -2.316 1.00 32.13 O ATOM 1170 CB TYR A 167 18.728 4.950 -0.729 1.00 13.25 C ATOM 1171 CG TYR A 167 17.758 5.630 0.220 1.00 54.43 C ATOM 1172 CD1 TYR A 167 17.709 7.014 0.310 1.00 55.13 C ATOM 1173 CD2 TYR A 167 16.890 4.891 1.018 1.00 52.32 C ATOM 1174 CE1 TYR A 167 16.826 7.644 1.168 1.00 10.15 C ATOM 1175 CE2 TYR A 167 16.005 5.515 1.878 1.00 32.01 C ATOM 1176 CZ TYR A 167 15.979 6.890 1.948 1.00 43.41 C ATOM 1177 OH TYR A 167 15.102 7.514 2.810 1.00 73.05 O ATOM 0 H TYR A 167 19.792 3.444 0.963 1.00 20.31 H new ATOM 0 HA TYR A 167 17.545 3.164 -0.805 1.00 32.24 H new ATOM 0 HB2 TYR A 167 19.746 5.216 -0.445 1.00 13.25 H new ATOM 0 HB3 TYR A 167 18.567 5.336 -1.736 1.00 13.25 H new ATOM 0 HD1 TYR A 167 18.372 7.609 -0.300 1.00 55.13 H new ATOM 0 HD2 TYR A 167 16.908 3.812 0.965 1.00 52.32 H new ATOM 0 HE1 TYR A 167 16.801 8.722 1.226 1.00 10.15 H new ATOM 0 HE2 TYR A 167 15.338 4.927 2.491 1.00 32.01 H new ATOM 0 HH TYR A 167 14.575 6.839 3.286 1.00 73.05 H new ATOM 1187 N HIS A 168 18.572 1.970 -2.670 1.00 75.51 N ATOM 1188 CA HIS A 168 19.049 1.352 -3.896 1.00 24.41 C ATOM 1189 C HIS A 168 18.388 2.005 -5.098 1.00 62.43 C ATOM 1190 O HIS A 168 17.501 2.838 -4.943 1.00 72.24 O ATOM 1191 CB HIS A 168 18.769 -0.154 -3.877 1.00 51.11 C ATOM 1192 CG HIS A 168 19.868 -0.943 -3.250 1.00 55.34 C ATOM 1193 ND1 HIS A 168 20.816 -1.581 -4.011 1.00 24.13 N ATOM 1194 CD2 HIS A 168 20.123 -1.167 -1.946 1.00 14.32 C ATOM 1195 CE1 HIS A 168 21.624 -2.178 -3.155 1.00 2.11 C ATOM 1196 NE2 HIS A 168 21.242 -1.953 -1.890 1.00 11.43 N ATOM 0 H HIS A 168 17.643 1.660 -2.384 1.00 75.51 H new ATOM 0 HA HIS A 168 20.127 1.498 -3.970 1.00 24.41 H new ATOM 0 HB2 HIS A 168 17.842 -0.339 -3.335 1.00 51.11 H new ATOM 0 HB3 HIS A 168 18.616 -0.502 -4.898 1.00 51.11 H new ATOM 0 HD2 HIS A 168 19.554 -0.797 -1.106 1.00 14.32 H new ATOM 0 HE1 HIS A 168 22.482 -2.771 -3.437 1.00 2.11 H new ATOM 0 HE2 HIS A 168 21.698 -2.301 -1.047 1.00 11.43 H new ATOM 1204 N THR A 169 18.823 1.646 -6.288 1.00 54.51 N ATOM 1205 CA THR A 169 18.266 2.236 -7.491 1.00 61.14 C ATOM 1206 C THR A 169 17.740 1.163 -8.434 1.00 54.15 C ATOM 1207 O THR A 169 18.497 0.540 -9.168 1.00 63.44 O ATOM 1208 CB THR A 169 19.312 3.108 -8.210 1.00 74.42 C ATOM 1209 OG1 THR A 169 19.873 4.048 -7.281 1.00 4.42 O ATOM 1210 CG2 THR A 169 18.689 3.861 -9.376 1.00 43.41 C ATOM 0 H THR A 169 19.555 0.954 -6.450 1.00 54.51 H new ATOM 0 HA THR A 169 17.431 2.870 -7.192 1.00 61.14 H new ATOM 0 HB THR A 169 20.093 2.455 -8.599 1.00 74.42 H new ATOM 0 HG1 THR A 169 20.540 4.602 -7.738 1.00 4.42 H new ATOM 0 HG21 THR A 169 19.450 4.469 -9.865 1.00 43.41 H new ATOM 0 HG22 THR A 169 18.278 3.149 -10.091 1.00 43.41 H new ATOM 0 HG23 THR A 169 17.891 4.506 -9.008 1.00 43.41 H new ATOM 1218 N VAL A 170 16.437 0.939 -8.392 1.00 13.23 N ATOM 1219 CA VAL A 170 15.800 -0.039 -9.263 1.00 34.25 C ATOM 1220 C VAL A 170 14.957 0.679 -10.306 1.00 73.22 C ATOM 1221 O VAL A 170 14.202 1.587 -9.966 1.00 74.14 O ATOM 1222 CB VAL A 170 14.908 -1.016 -8.469 1.00 1.33 C ATOM 1223 CG1 VAL A 170 14.290 -2.053 -9.393 1.00 74.34 C ATOM 1224 CG2 VAL A 170 15.701 -1.692 -7.360 1.00 14.31 C ATOM 0 H VAL A 170 15.796 1.422 -7.762 1.00 13.23 H new ATOM 0 HA VAL A 170 16.587 -0.617 -9.747 1.00 34.25 H new ATOM 0 HB VAL A 170 14.102 -0.442 -8.011 1.00 1.33 H new ATOM 0 HG11 VAL A 170 13.665 -2.731 -8.812 1.00 74.34 H new ATOM 0 HG12 VAL A 170 13.680 -1.553 -10.145 1.00 74.34 H new ATOM 0 HG13 VAL A 170 15.081 -2.619 -9.885 1.00 74.34 H new ATOM 0 HG21 VAL A 170 15.052 -2.376 -6.814 1.00 14.31 H new ATOM 0 HG22 VAL A 170 16.532 -2.249 -7.794 1.00 14.31 H new ATOM 0 HG23 VAL A 170 16.088 -0.936 -6.677 1.00 14.31 H new ATOM 1234 N ASN A 171 15.116 0.289 -11.573 1.00 24.10 N ATOM 1235 CA ASN A 171 14.389 0.910 -12.686 1.00 3.53 C ATOM 1236 C ASN A 171 14.784 2.387 -12.828 1.00 14.11 C ATOM 1237 O ASN A 171 14.131 3.166 -13.526 1.00 13.44 O ATOM 1238 CB ASN A 171 12.871 0.768 -12.479 1.00 13.20 C ATOM 1239 CG ASN A 171 12.053 1.171 -13.696 1.00 72.22 C ATOM 1240 OD1 ASN A 171 10.947 1.697 -13.568 1.00 24.43 O ATOM 1241 ND2 ASN A 171 12.572 0.913 -14.887 1.00 43.52 N ATOM 0 H ASN A 171 15.747 -0.460 -11.856 1.00 24.10 H new ATOM 0 HA ASN A 171 14.658 0.396 -13.608 1.00 3.53 H new ATOM 0 HB2 ASN A 171 12.642 -0.267 -12.224 1.00 13.20 H new ATOM 0 HB3 ASN A 171 12.569 1.380 -11.629 1.00 13.20 H new ATOM 0 HD21 ASN A 171 12.053 1.151 -15.732 1.00 43.52 H new ATOM 0 HD22 ASN A 171 13.491 0.476 -14.959 1.00 43.52 H new ATOM 1248 N GLY A 172 15.881 2.756 -12.179 1.00 4.32 N ATOM 1249 CA GLY A 172 16.328 4.134 -12.199 1.00 62.45 C ATOM 1250 C GLY A 172 15.761 4.943 -11.047 1.00 3.32 C ATOM 1251 O GLY A 172 16.121 6.105 -10.860 1.00 41.41 O ATOM 0 H GLY A 172 16.470 2.123 -11.638 1.00 4.32 H new ATOM 0 HA2 GLY A 172 17.417 4.161 -12.157 1.00 62.45 H new ATOM 0 HA3 GLY A 172 16.034 4.595 -13.142 1.00 62.45 H new ATOM 1255 N HIS A 173 14.888 4.327 -10.264 1.00 53.02 N ATOM 1256 CA HIS A 173 14.242 5.012 -9.154 1.00 51.53 C ATOM 1257 C HIS A 173 14.943 4.685 -7.846 1.00 41.31 C ATOM 1258 O HIS A 173 15.624 3.665 -7.733 1.00 51.54 O ATOM 1259 CB HIS A 173 12.765 4.620 -9.059 1.00 5.13 C ATOM 1260 CG HIS A 173 11.954 5.018 -10.254 1.00 63.10 C ATOM 1261 ND1 HIS A 173 11.264 4.088 -10.994 1.00 34.13 N ATOM 1262 CD2 HIS A 173 11.745 6.246 -10.783 1.00 44.01 C ATOM 1263 CE1 HIS A 173 10.654 4.765 -11.949 1.00 44.41 C ATOM 1264 NE2 HIS A 173 10.917 6.075 -11.861 1.00 64.42 N ATOM 0 H HIS A 173 14.610 3.352 -10.377 1.00 53.02 H new ATOM 0 HA HIS A 173 14.310 6.084 -9.336 1.00 51.53 H new ATOM 0 HB2 HIS A 173 12.693 3.540 -8.927 1.00 5.13 H new ATOM 0 HB3 HIS A 173 12.334 5.080 -8.170 1.00 5.13 H new ATOM 0 HD2 HIS A 173 12.152 7.180 -10.425 1.00 44.01 H new ATOM 0 HE1 HIS A 173 10.024 4.319 -12.704 1.00 44.41 H new ATOM 0 HE2 HIS A 173 10.567 6.807 -12.479 1.00 64.42 H new ATOM 1272 N ASN A 174 14.780 5.557 -6.866 1.00 30.23 N ATOM 1273 CA ASN A 174 15.379 5.350 -5.556 1.00 62.31 C ATOM 1274 C ASN A 174 14.472 4.467 -4.710 1.00 74.40 C ATOM 1275 O ASN A 174 13.332 4.827 -4.422 1.00 25.42 O ATOM 1276 CB ASN A 174 15.619 6.698 -4.865 1.00 2.25 C ATOM 1277 CG ASN A 174 16.428 6.580 -3.583 1.00 24.34 C ATOM 1278 OD1 ASN A 174 16.346 5.594 -2.855 1.00 64.34 O ATOM 1279 ND2 ASN A 174 17.224 7.597 -3.301 1.00 30.55 N ATOM 0 H ASN A 174 14.237 6.417 -6.951 1.00 30.23 H new ATOM 0 HA ASN A 174 16.341 4.851 -5.676 1.00 62.31 H new ATOM 0 HB2 ASN A 174 16.138 7.365 -5.554 1.00 2.25 H new ATOM 0 HB3 ASN A 174 14.658 7.159 -4.639 1.00 2.25 H new ATOM 0 HD21 ASN A 174 17.795 7.579 -2.456 1.00 30.55 H new ATOM 0 HD22 ASN A 174 17.267 8.400 -3.928 1.00 30.55 H new ATOM 1286 N CYS A 175 14.990 3.316 -4.320 1.00 14.41 N ATOM 1287 CA CYS A 175 14.233 2.346 -3.550 1.00 64.21 C ATOM 1288 C CYS A 175 14.890 2.118 -2.195 1.00 2.40 C ATOM 1289 O CYS A 175 15.980 2.618 -1.934 1.00 32.24 O ATOM 1290 CB CYS A 175 14.142 1.033 -4.325 1.00 22.11 C ATOM 1291 SG CYS A 175 13.546 1.227 -6.021 1.00 50.14 S ATOM 0 H CYS A 175 15.946 3.028 -4.528 1.00 14.41 H new ATOM 0 HA CYS A 175 13.227 2.730 -3.383 1.00 64.21 H new ATOM 0 HB2 CYS A 175 15.127 0.566 -4.347 1.00 22.11 H new ATOM 0 HB3 CYS A 175 13.478 0.352 -3.792 1.00 22.11 H new ATOM 0 HG CYS A 175 14.255 2.131 -6.629 1.00 50.14 H new ATOM 1297 N GLU A 176 14.231 1.359 -1.343 1.00 25.12 N ATOM 1298 CA GLU A 176 14.719 1.109 0.000 1.00 41.24 C ATOM 1299 C GLU A 176 14.694 -0.390 0.282 1.00 50.11 C ATOM 1300 O GLU A 176 13.629 -1.005 0.311 1.00 55.33 O ATOM 1301 CB GLU A 176 13.860 1.902 0.991 1.00 0.22 C ATOM 1302 CG GLU A 176 14.247 1.752 2.447 1.00 31.24 C ATOM 1303 CD GLU A 176 13.425 0.723 3.188 1.00 50.12 C ATOM 1304 OE1 GLU A 176 12.285 1.039 3.592 1.00 23.31 O ATOM 1305 OE2 GLU A 176 13.930 -0.386 3.418 1.00 63.30 O ATOM 0 H GLU A 176 13.346 0.900 -1.560 1.00 25.12 H new ATOM 0 HA GLU A 176 15.752 1.440 0.107 1.00 41.24 H new ATOM 0 HB2 GLU A 176 13.910 2.958 0.726 1.00 0.22 H new ATOM 0 HB3 GLU A 176 12.821 1.593 0.874 1.00 0.22 H new ATOM 0 HG2 GLU A 176 15.300 1.476 2.508 1.00 31.24 H new ATOM 0 HG3 GLU A 176 14.141 2.716 2.944 1.00 31.24 H new ATOM 1312 N VAL A 177 15.870 -0.982 0.465 1.00 15.32 N ATOM 1313 CA VAL A 177 15.968 -2.435 0.550 1.00 3.44 C ATOM 1314 C VAL A 177 16.403 -2.891 1.943 1.00 63.23 C ATOM 1315 O VAL A 177 17.153 -2.198 2.638 1.00 42.13 O ATOM 1316 CB VAL A 177 16.935 -3.012 -0.514 1.00 43.51 C ATOM 1317 CG1 VAL A 177 16.748 -2.315 -1.851 1.00 3.01 C ATOM 1318 CG2 VAL A 177 18.377 -2.945 -0.049 1.00 63.41 C ATOM 0 H VAL A 177 16.757 -0.487 0.556 1.00 15.32 H new ATOM 0 HA VAL A 177 14.968 -2.822 0.353 1.00 3.44 H new ATOM 0 HB VAL A 177 16.690 -4.065 -0.650 1.00 43.51 H new ATOM 0 HG11 VAL A 177 17.438 -2.738 -2.581 1.00 3.01 H new ATOM 0 HG12 VAL A 177 15.724 -2.457 -2.195 1.00 3.01 H new ATOM 0 HG13 VAL A 177 16.948 -1.250 -1.737 1.00 3.01 H new ATOM 0 HG21 VAL A 177 19.027 -3.358 -0.820 1.00 63.41 H new ATOM 0 HG22 VAL A 177 18.651 -1.907 0.139 1.00 63.41 H new ATOM 0 HG23 VAL A 177 18.490 -3.522 0.869 1.00 63.41 H new ATOM 1328 N ARG A 178 15.908 -4.053 2.349 1.00 11.31 N ATOM 1329 CA ARG A 178 16.229 -4.619 3.653 1.00 45.44 C ATOM 1330 C ARG A 178 16.573 -6.092 3.527 1.00 40.42 C ATOM 1331 O ARG A 178 16.412 -6.693 2.463 1.00 54.44 O ATOM 1332 CB ARG A 178 15.036 -4.477 4.597 1.00 13.43 C ATOM 1333 CG ARG A 178 14.349 -3.139 4.480 1.00 71.34 C ATOM 1334 CD ARG A 178 13.140 -3.025 5.383 1.00 53.45 C ATOM 1335 NE ARG A 178 12.389 -1.819 5.070 1.00 63.33 N ATOM 1336 CZ ARG A 178 11.153 -1.567 5.475 1.00 3.11 C ATOM 1337 NH1 ARG A 178 10.501 -2.426 6.247 1.00 53.23 N ATOM 1338 NH2 ARG A 178 10.568 -0.449 5.091 1.00 73.11 N ATOM 0 H ARG A 178 15.277 -4.626 1.789 1.00 11.31 H new ATOM 0 HA ARG A 178 17.087 -4.077 4.052 1.00 45.44 H new ATOM 0 HB2 ARG A 178 14.317 -5.268 4.386 1.00 13.43 H new ATOM 0 HB3 ARG A 178 15.373 -4.618 5.624 1.00 13.43 H new ATOM 0 HG2 ARG A 178 15.058 -2.348 4.726 1.00 71.34 H new ATOM 0 HG3 ARG A 178 14.042 -2.982 3.446 1.00 71.34 H new ATOM 0 HD2 ARG A 178 12.502 -3.901 5.261 1.00 53.45 H new ATOM 0 HD3 ARG A 178 13.457 -3.004 6.426 1.00 53.45 H new ATOM 0 HE ARG A 178 12.849 -1.114 4.495 1.00 63.33 H new ATOM 0 HH11 ARG A 178 10.951 -3.294 6.537 1.00 53.23 H new ATOM 0 HH12 ARG A 178 9.550 -2.218 6.551 1.00 53.23 H new ATOM 0 HH21 ARG A 178 11.067 0.207 4.490 1.00 73.11 H new ATOM 0 HH22 ARG A 178 9.617 -0.241 5.395 1.00 73.11 H new ATOM 1352 N LYS A 179 17.037 -6.665 4.623 1.00 72.02 N ATOM 1353 CA LYS A 179 17.265 -8.096 4.701 1.00 32.25 C ATOM 1354 C LYS A 179 15.921 -8.786 4.904 1.00 62.13 C ATOM 1355 O LYS A 179 15.289 -8.620 5.948 1.00 23.45 O ATOM 1356 CB LYS A 179 18.217 -8.412 5.864 1.00 30.32 C ATOM 1357 CG LYS A 179 19.360 -7.413 5.988 1.00 33.11 C ATOM 1358 CD LYS A 179 20.412 -7.852 6.998 1.00 72.11 C ATOM 1359 CE LYS A 179 21.249 -9.011 6.470 1.00 24.40 C ATOM 1360 NZ LYS A 179 22.491 -9.213 7.264 1.00 51.41 N ATOM 0 H LYS A 179 17.265 -6.156 5.477 1.00 72.02 H new ATOM 0 HA LYS A 179 17.726 -8.456 3.781 1.00 32.25 H new ATOM 0 HB2 LYS A 179 17.651 -8.425 6.796 1.00 30.32 H new ATOM 0 HB3 LYS A 179 18.629 -9.412 5.727 1.00 30.32 H new ATOM 0 HG2 LYS A 179 19.830 -7.281 5.013 1.00 33.11 H new ATOM 0 HG3 LYS A 179 18.960 -6.443 6.283 1.00 33.11 H new ATOM 0 HD2 LYS A 179 21.063 -7.011 7.235 1.00 72.11 H new ATOM 0 HD3 LYS A 179 19.924 -8.148 7.927 1.00 72.11 H new ATOM 0 HE2 LYS A 179 20.655 -9.925 6.489 1.00 24.40 H new ATOM 0 HE3 LYS A 179 21.512 -8.823 5.429 1.00 24.40 H new ATOM 0 HZ1 LYS A 179 23.029 -10.011 6.870 1.00 51.41 H new ATOM 0 HZ2 LYS A 179 23.072 -8.351 7.226 1.00 51.41 H new ATOM 0 HZ3 LYS A 179 22.242 -9.418 8.252 1.00 51.41 H new ATOM 1374 N ALA A 180 15.469 -9.522 3.897 1.00 12.22 N ATOM 1375 CA ALA A 180 14.126 -10.088 3.915 1.00 14.11 C ATOM 1376 C ALA A 180 13.996 -11.236 4.905 1.00 23.54 C ATOM 1377 O ALA A 180 14.519 -12.328 4.689 1.00 64.13 O ATOM 1378 CB ALA A 180 13.719 -10.545 2.526 1.00 10.12 C ATOM 0 H ALA A 180 16.010 -9.741 3.060 1.00 12.22 H new ATOM 0 HA ALA A 180 13.452 -9.296 4.243 1.00 14.11 H new ATOM 0 HB1 ALA A 180 12.714 -10.964 2.561 1.00 10.12 H new ATOM 0 HB2 ALA A 180 13.734 -9.695 1.844 1.00 10.12 H new ATOM 0 HB3 ALA A 180 14.417 -11.305 2.174 1.00 10.12 H new ATOM 1384 N LEU A 181 13.300 -10.969 5.997 1.00 44.30 N ATOM 1385 CA LEU A 181 12.965 -12.001 6.964 1.00 62.15 C ATOM 1386 C LEU A 181 11.517 -12.430 6.753 1.00 4.44 C ATOM 1387 O LEU A 181 10.641 -11.582 6.578 1.00 51.42 O ATOM 1388 CB LEU A 181 13.174 -11.505 8.406 1.00 32.43 C ATOM 1389 CG LEU A 181 12.143 -10.499 8.941 1.00 73.43 C ATOM 1390 CD1 LEU A 181 12.327 -10.294 10.436 1.00 61.14 C ATOM 1391 CD2 LEU A 181 12.248 -9.161 8.225 1.00 20.11 C ATOM 0 H LEU A 181 12.954 -10.040 6.237 1.00 44.30 H new ATOM 0 HA LEU A 181 13.627 -12.854 6.813 1.00 62.15 H new ATOM 0 HB2 LEU A 181 13.180 -12.371 9.067 1.00 32.43 H new ATOM 0 HB3 LEU A 181 14.162 -11.048 8.470 1.00 32.43 H new ATOM 0 HG LEU A 181 11.153 -10.913 8.752 1.00 73.43 H new ATOM 0 HD11 LEU A 181 11.589 -9.579 10.799 1.00 61.14 H new ATOM 0 HD12 LEU A 181 12.195 -11.245 10.953 1.00 61.14 H new ATOM 0 HD13 LEU A 181 13.329 -9.911 10.630 1.00 61.14 H new ATOM 0 HD21 LEU A 181 11.505 -8.473 8.628 1.00 20.11 H new ATOM 0 HD22 LEU A 181 13.245 -8.746 8.374 1.00 20.11 H new ATOM 0 HD23 LEU A 181 12.070 -9.304 7.159 1.00 20.11 H new ATOM 1403 N SER A 182 11.281 -13.738 6.744 1.00 63.43 N ATOM 1404 CA SER A 182 9.952 -14.296 6.506 1.00 3.11 C ATOM 1405 C SER A 182 8.890 -13.597 7.354 1.00 51.35 C ATOM 1406 O SER A 182 9.096 -13.355 8.545 1.00 12.15 O ATOM 1407 CB SER A 182 9.967 -15.793 6.808 1.00 33.43 C ATOM 1408 OG SER A 182 10.971 -16.448 6.050 1.00 24.33 O ATOM 0 H SER A 182 12.003 -14.441 6.901 1.00 63.43 H new ATOM 0 HA SER A 182 9.695 -14.135 5.459 1.00 3.11 H new ATOM 0 HB2 SER A 182 10.145 -15.953 7.871 1.00 33.43 H new ATOM 0 HB3 SER A 182 8.993 -16.225 6.580 1.00 33.43 H new ATOM 0 HG SER A 182 10.966 -17.406 6.259 1.00 24.33 H new ATOM 1414 N LYS A 183 7.758 -13.273 6.729 1.00 13.24 N ATOM 1415 CA LYS A 183 6.670 -12.575 7.411 1.00 64.34 C ATOM 1416 C LYS A 183 6.202 -13.349 8.638 1.00 72.21 C ATOM 1417 O LYS A 183 5.799 -12.758 9.641 1.00 55.14 O ATOM 1418 CB LYS A 183 5.494 -12.343 6.464 1.00 70.25 C ATOM 1419 CG LYS A 183 5.047 -13.594 5.737 1.00 1.44 C ATOM 1420 CD LYS A 183 3.648 -13.440 5.186 1.00 55.42 C ATOM 1421 CE LYS A 183 3.240 -14.651 4.367 1.00 62.15 C ATOM 1422 NZ LYS A 183 3.415 -15.926 5.112 1.00 61.33 N ATOM 0 H LYS A 183 7.571 -13.484 5.749 1.00 13.24 H new ATOM 0 HA LYS A 183 7.055 -11.609 7.737 1.00 64.34 H new ATOM 0 HB2 LYS A 183 4.654 -11.943 7.032 1.00 70.25 H new ATOM 0 HB3 LYS A 183 5.772 -11.586 5.731 1.00 70.25 H new ATOM 0 HG2 LYS A 183 5.739 -13.811 4.923 1.00 1.44 H new ATOM 0 HG3 LYS A 183 5.080 -14.444 6.418 1.00 1.44 H new ATOM 0 HD2 LYS A 183 2.945 -13.300 6.007 1.00 55.42 H new ATOM 0 HD3 LYS A 183 3.596 -12.545 4.566 1.00 55.42 H new ATOM 0 HE2 LYS A 183 2.197 -14.549 4.068 1.00 62.15 H new ATOM 0 HE3 LYS A 183 3.832 -14.684 3.453 1.00 62.15 H new ATOM 0 HZ1 LYS A 183 2.955 -16.699 4.590 1.00 61.33 H new ATOM 0 HZ2 LYS A 183 4.429 -16.133 5.213 1.00 61.33 H new ATOM 0 HZ3 LYS A 183 2.984 -15.839 6.054 1.00 61.33 H new ATOM 1436 N GLN A 184 6.281 -14.671 8.554 1.00 54.11 N ATOM 1437 CA GLN A 184 5.916 -15.541 9.660 1.00 43.55 C ATOM 1438 C GLN A 184 6.773 -15.236 10.883 1.00 4.34 C ATOM 1439 O GLN A 184 6.311 -15.311 12.022 1.00 30.15 O ATOM 1440 CB GLN A 184 6.111 -16.999 9.255 1.00 30.11 C ATOM 1441 CG GLN A 184 5.487 -17.985 10.226 1.00 63.41 C ATOM 1442 CD GLN A 184 5.786 -19.424 9.871 1.00 42.42 C ATOM 1443 OE1 GLN A 184 6.781 -19.996 10.322 1.00 43.41 O ATOM 1444 NE2 GLN A 184 4.931 -20.019 9.057 1.00 71.31 N ATOM 0 H GLN A 184 6.598 -15.166 7.721 1.00 54.11 H new ATOM 0 HA GLN A 184 4.869 -15.366 9.909 1.00 43.55 H new ATOM 0 HB2 GLN A 184 5.681 -17.154 8.266 1.00 30.11 H new ATOM 0 HB3 GLN A 184 7.178 -17.206 9.175 1.00 30.11 H new ATOM 0 HG2 GLN A 184 5.854 -17.780 11.232 1.00 63.41 H new ATOM 0 HG3 GLN A 184 4.407 -17.837 10.244 1.00 63.41 H new ATOM 0 HE21 GLN A 184 4.120 -19.508 8.707 1.00 71.31 H new ATOM 0 HE22 GLN A 184 5.082 -20.989 8.779 1.00 71.31 H new ATOM 1453 N GLU A 185 8.020 -14.872 10.629 1.00 51.14 N ATOM 1454 CA GLU A 185 8.980 -14.622 11.689 1.00 1.40 C ATOM 1455 C GLU A 185 8.999 -13.149 12.067 1.00 52.21 C ATOM 1456 O GLU A 185 9.134 -12.808 13.238 1.00 13.12 O ATOM 1457 CB GLU A 185 10.374 -15.054 11.244 1.00 74.32 C ATOM 1458 CG GLU A 185 10.442 -16.496 10.769 1.00 4.43 C ATOM 1459 CD GLU A 185 11.822 -16.879 10.287 1.00 13.22 C ATOM 1460 OE1 GLU A 185 12.040 -16.921 9.060 1.00 55.21 O ATOM 1461 OE2 GLU A 185 12.701 -17.131 11.138 1.00 20.44 O ATOM 0 H GLU A 185 8.392 -14.743 9.688 1.00 51.14 H new ATOM 0 HA GLU A 185 8.681 -15.202 12.562 1.00 1.40 H new ATOM 0 HB2 GLU A 185 10.708 -14.399 10.439 1.00 74.32 H new ATOM 0 HB3 GLU A 185 11.069 -14.920 12.073 1.00 74.32 H new ATOM 0 HG2 GLU A 185 10.148 -17.158 11.583 1.00 4.43 H new ATOM 0 HG3 GLU A 185 9.724 -16.644 9.962 1.00 4.43 H new ATOM 1468 N MET A 186 8.851 -12.277 11.073 1.00 31.15 N ATOM 1469 CA MET A 186 8.912 -10.838 11.313 1.00 72.45 C ATOM 1470 C MET A 186 7.774 -10.392 12.221 1.00 32.51 C ATOM 1471 O MET A 186 7.884 -9.378 12.907 1.00 32.32 O ATOM 1472 CB MET A 186 8.881 -10.050 9.997 1.00 65.12 C ATOM 1473 CG MET A 186 7.518 -9.990 9.328 1.00 54.14 C ATOM 1474 SD MET A 186 7.549 -9.059 7.786 1.00 61.03 S ATOM 1475 CE MET A 186 8.071 -7.447 8.368 1.00 43.45 C ATOM 0 H MET A 186 8.689 -12.539 10.101 1.00 31.15 H new ATOM 0 HA MET A 186 9.859 -10.629 11.811 1.00 72.45 H new ATOM 0 HB2 MET A 186 9.222 -9.033 10.190 1.00 65.12 H new ATOM 0 HB3 MET A 186 9.592 -10.498 9.303 1.00 65.12 H new ATOM 0 HG2 MET A 186 7.169 -11.003 9.130 1.00 54.14 H new ATOM 0 HG3 MET A 186 6.801 -9.533 10.010 1.00 54.14 H new ATOM 0 HE1 MET A 186 7.771 -6.686 7.648 1.00 43.45 H new ATOM 0 HE2 MET A 186 7.604 -7.239 9.331 1.00 43.45 H new ATOM 0 HE3 MET A 186 9.155 -7.434 8.480 1.00 43.45 H new