USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 455 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 389 HIS : no HE2:sc= -5.46! C(o=-5.5!,f=-6.1!) USER MOD Set 1.2: A 393 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 346 HIS : no HD1:sc= -0.379 K(o=-0.45,f=-3.8) USER MOD Set 2.2: A 359 THR OG1 : rot 102:sc= -0.071! USER MOD Set 3.1: A 347 CYS SG : rot 175:sc= -1 USER MOD Set 3.2: A 358 CYS SG : rot 145:sc= -1.06! USER MOD Set 3.3: A 364 CYS SG : rot 131:sc= 0.604 USER MOD Set 3.4: A 367 HIS : no HE2:sc= -1.21 K(o=-2.7,f=-4.5!) USER MOD Set 3.5: A 371 GLN :FLIP amide:sc= 0 F(o=-4.7,f=-2.7) USER MOD Single : A 354 THR OG1 : rot -178:sc= -3.7! USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 356 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 363 THR OG1 : rot -38:sc= 0.832 USER MOD Single : A 365 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00778) USER MOD Single : A 366 THR OG1 : rot -110:sc= -0.317 USER MOD Single : A 368 SER OG : rot 102:sc= -1.28 USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 376 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 380 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 LYS NZ :NH3+ -152:sc= -0.172 (180deg=-0.803) USER MOD Single : A 391 ASN : amide:sc= 1.16 K(o=1.2,f=-0.027) USER MOD Single : A 392 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N PHE A 341 54.386 1.239 -7.133 1.00 0.00 N ATOM 41 CA PHE A 341 55.808 0.908 -7.145 1.00 0.00 C ATOM 42 C PHE A 341 56.645 1.937 -7.832 1.00 0.00 C ATOM 43 O PHE A 341 56.514 2.186 -9.047 1.00 0.00 O ATOM 44 CB PHE A 341 56.095 -0.433 -7.819 1.00 0.00 C ATOM 45 CG PHE A 341 57.557 -0.702 -7.912 1.00 0.00 C ATOM 46 CD1 PHE A 341 58.309 -0.803 -6.769 1.00 0.00 C ATOM 47 CD2 PHE A 341 58.184 -0.831 -9.142 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.635 -1.029 -6.832 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.525 -1.063 -9.211 1.00 0.00 C ATOM 50 CZ PHE A 341 60.256 -1.163 -8.057 1.00 0.00 C ATOM 0 HA PHE A 341 56.075 0.863 -6.089 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.613 -1.233 -7.257 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.660 -0.438 -8.818 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.831 -0.700 -5.806 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.606 -0.747 -10.051 1.00 0.00 H new ATOM 0 HE1 PHE A 341 60.213 -1.105 -5.923 1.00 0.00 H new ATOM 0 HE2 PHE A 341 60.009 -1.168 -10.171 1.00 0.00 H new ATOM 0 HZ PHE A 341 61.319 -1.347 -8.106 1.00 0.00 H new ATOM 60 N ASP A 342 57.517 2.498 -7.068 1.00 0.00 N ATOM 61 CA ASP A 342 58.443 3.411 -7.610 1.00 0.00 C ATOM 62 C ASP A 342 59.775 2.797 -7.441 1.00 0.00 C ATOM 63 O ASP A 342 60.233 2.656 -6.313 1.00 0.00 O ATOM 64 CB ASP A 342 58.538 4.763 -6.938 1.00 0.00 C ATOM 65 CG ASP A 342 58.824 5.820 -7.951 1.00 0.00 C ATOM 66 OD1 ASP A 342 59.985 5.938 -8.400 1.00 0.00 O ATOM 67 OD2 ASP A 342 57.879 6.518 -8.364 1.00 0.00 O ATOM 0 H ASP A 342 57.603 2.336 -6.065 1.00 0.00 H new ATOM 0 HA ASP A 342 58.110 3.595 -8.631 1.00 0.00 H new ATOM 0 HB2 ASP A 342 57.605 4.987 -6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 342 59.325 4.749 -6.184 1.00 0.00 H new ATOM 72 N PRO A 343 60.426 2.374 -8.486 1.00 0.00 N ATOM 73 CA PRO A 343 61.724 1.751 -8.344 1.00 0.00 C ATOM 74 C PRO A 343 62.792 2.681 -7.795 1.00 0.00 C ATOM 75 O PRO A 343 63.655 2.257 -7.042 1.00 0.00 O ATOM 76 CB PRO A 343 62.071 1.282 -9.735 1.00 0.00 C ATOM 77 CG PRO A 343 61.223 2.086 -10.648 1.00 0.00 C ATOM 78 CD PRO A 343 59.963 2.383 -9.886 1.00 0.00 C ATOM 0 HA PRO A 343 61.684 0.941 -7.615 1.00 0.00 H new ATOM 0 HB2 PRO A 343 63.129 1.433 -9.947 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.872 0.217 -9.851 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.728 3.006 -10.941 1.00 0.00 H new ATOM 0 HG3 PRO A 343 61.005 1.536 -11.564 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.537 3.346 -10.166 1.00 0.00 H new ATOM 0 HD3 PRO A 343 59.194 1.631 -10.064 1.00 0.00 H new ATOM 86 N ASP A 344 62.675 3.947 -8.090 1.00 0.00 N ATOM 87 CA ASP A 344 63.696 4.904 -7.709 1.00 0.00 C ATOM 88 C ASP A 344 63.567 5.322 -6.271 1.00 0.00 C ATOM 89 O ASP A 344 64.443 6.017 -5.751 1.00 0.00 O ATOM 90 CB ASP A 344 63.655 6.157 -8.595 1.00 0.00 C ATOM 91 CG ASP A 344 63.993 5.885 -10.035 1.00 0.00 C ATOM 92 OD1 ASP A 344 65.095 5.400 -10.315 1.00 0.00 O ATOM 93 OD2 ASP A 344 63.162 6.175 -10.921 1.00 0.00 O ATOM 0 H ASP A 344 61.884 4.347 -8.594 1.00 0.00 H new ATOM 0 HA ASP A 344 64.651 4.396 -7.846 1.00 0.00 H new ATOM 0 HB2 ASP A 344 62.660 6.598 -8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 344 64.353 6.895 -8.199 1.00 0.00 H new ATOM 98 N ILE A 345 62.484 4.909 -5.626 1.00 0.00 N ATOM 99 CA ILE A 345 62.188 5.388 -4.259 1.00 0.00 C ATOM 100 C ILE A 345 61.888 4.241 -3.315 1.00 0.00 C ATOM 101 O ILE A 345 61.826 4.430 -2.088 1.00 0.00 O ATOM 102 CB ILE A 345 60.982 6.398 -4.260 1.00 0.00 C ATOM 103 CG1 ILE A 345 59.641 5.732 -3.931 1.00 0.00 C ATOM 104 CG2 ILE A 345 60.903 7.145 -5.570 1.00 0.00 C ATOM 105 CD1 ILE A 345 58.446 6.665 -4.022 1.00 0.00 C ATOM 0 H ILE A 345 61.800 4.256 -6.008 1.00 0.00 H new ATOM 0 HA ILE A 345 63.082 5.901 -3.905 1.00 0.00 H new ATOM 0 HB ILE A 345 61.179 7.112 -3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 345 59.487 4.894 -4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 345 59.690 5.319 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.061 7.837 -5.544 1.00 0.00 H new ATOM 0 HG22 ILE A 345 61.826 7.703 -5.727 1.00 0.00 H new ATOM 0 HG23 ILE A 345 60.765 6.435 -6.386 1.00 0.00 H new ATOM 0 HD11 ILE A 345 57.537 6.117 -3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 345 58.574 7.490 -3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 345 58.368 7.059 -5.035 1.00 0.00 H new ATOM 117 N HIS A 346 61.686 3.073 -3.871 1.00 0.00 N ATOM 118 CA HIS A 346 61.308 1.924 -3.093 1.00 0.00 C ATOM 119 C HIS A 346 62.209 0.706 -3.249 1.00 0.00 C ATOM 120 O HIS A 346 63.195 0.706 -3.965 1.00 0.00 O ATOM 121 CB HIS A 346 59.858 1.541 -3.341 1.00 0.00 C ATOM 122 CG HIS A 346 58.887 2.457 -2.690 1.00 0.00 C ATOM 123 ND1 HIS A 346 57.862 3.040 -3.380 1.00 0.00 N ATOM 124 CD2 HIS A 346 58.820 2.824 -1.399 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.195 3.748 -2.477 1.00 0.00 C ATOM 126 NE2 HIS A 346 57.740 3.643 -1.273 1.00 0.00 N ATOM 0 H HIS A 346 61.779 2.894 -4.871 1.00 0.00 H new ATOM 0 HA HIS A 346 61.435 2.248 -2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.672 1.529 -4.415 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.690 0.527 -2.977 1.00 0.00 H new ATOM 0 HD2 HIS A 346 59.495 2.526 -0.611 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.317 4.337 -2.696 1.00 0.00 H new ATOM 0 HE2 HIS A 346 57.413 4.090 -0.417 1.00 0.00 H new ATOM 134 N CYS A 347 61.821 -0.327 -2.516 1.00 0.00 N ATOM 135 CA CYS A 347 62.521 -1.607 -2.400 1.00 0.00 C ATOM 136 C CYS A 347 62.756 -2.322 -3.744 1.00 0.00 C ATOM 137 O CYS A 347 63.809 -2.885 -3.935 1.00 0.00 O ATOM 138 CB CYS A 347 61.736 -2.492 -1.396 1.00 0.00 C ATOM 139 SG CYS A 347 62.406 -4.177 -0.968 1.00 0.00 S ATOM 0 H CYS A 347 60.968 -0.298 -1.957 1.00 0.00 H new ATOM 0 HA CYS A 347 63.528 -1.413 -2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.639 -1.930 -0.467 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.730 -2.628 -1.793 1.00 0.00 H new ATOM 0 HG CYS A 347 61.667 -4.716 -0.044 1.00 0.00 H new ATOM 144 N GLY A 348 61.756 -2.410 -4.589 1.00 0.00 N ATOM 145 CA GLY A 348 61.981 -2.996 -5.918 1.00 0.00 C ATOM 146 C GLY A 348 62.053 -4.503 -5.958 1.00 0.00 C ATOM 147 O GLY A 348 61.993 -5.086 -7.024 1.00 0.00 O ATOM 0 H GLY A 348 60.803 -2.099 -4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 348 61.179 -2.670 -6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.911 -2.594 -6.321 1.00 0.00 H new ATOM 151 N VAL A 349 62.088 -5.132 -4.811 1.00 0.00 N ATOM 152 CA VAL A 349 62.270 -6.573 -4.769 1.00 0.00 C ATOM 153 C VAL A 349 60.961 -7.164 -4.934 1.00 0.00 C ATOM 154 O VAL A 349 60.093 -6.967 -4.095 1.00 0.00 O ATOM 155 CB VAL A 349 62.896 -7.097 -3.444 1.00 0.00 C ATOM 156 CG1 VAL A 349 63.217 -8.580 -3.536 1.00 0.00 C ATOM 157 CG2 VAL A 349 64.121 -6.321 -3.039 1.00 0.00 C ATOM 0 H VAL A 349 61.995 -4.682 -3.900 1.00 0.00 H new ATOM 0 HA VAL A 349 62.970 -6.847 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 349 62.145 -6.948 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.653 -8.917 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 349 62.302 -9.139 -3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 349 63.927 -8.749 -4.346 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.518 -6.727 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 349 64.876 -6.399 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.857 -5.274 -2.894 1.00 0.00 H new ATOM 167 N ILE A 350 60.801 -7.816 -6.010 1.00 0.00 N ATOM 168 CA ILE A 350 59.585 -8.432 -6.311 1.00 0.00 C ATOM 169 C ILE A 350 59.315 -9.515 -5.330 1.00 0.00 C ATOM 170 O ILE A 350 60.139 -10.411 -5.105 1.00 0.00 O ATOM 171 CB ILE A 350 59.515 -8.870 -7.764 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.596 -7.588 -8.610 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.251 -9.669 -8.019 1.00 0.00 C ATOM 174 CD1 ILE A 350 59.244 -7.729 -10.048 1.00 0.00 C ATOM 0 H ILE A 350 61.525 -7.938 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 350 58.776 -7.708 -6.210 1.00 0.00 H new ATOM 0 HB ILE A 350 60.336 -9.535 -8.030 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.936 -6.842 -8.167 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.611 -7.196 -8.542 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.218 -9.974 -9.065 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.245 -10.554 -7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.380 -9.054 -7.793 1.00 0.00 H new ATOM 0 HD11 ILE A 350 59.337 -6.762 -10.542 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.919 -8.444 -10.519 1.00 0.00 H new ATOM 0 HD13 ILE A 350 58.218 -8.085 -10.138 1.00 0.00 H new ATOM 186 N ASP A 351 58.190 -9.391 -4.722 1.00 0.00 N ATOM 187 CA ASP A 351 57.855 -10.175 -3.594 1.00 0.00 C ATOM 188 C ASP A 351 57.284 -11.455 -4.072 1.00 0.00 C ATOM 189 O ASP A 351 56.467 -11.461 -4.935 1.00 0.00 O ATOM 190 CB ASP A 351 56.843 -9.407 -2.787 1.00 0.00 C ATOM 191 CG ASP A 351 56.693 -9.892 -1.381 1.00 0.00 C ATOM 192 OD1 ASP A 351 57.440 -9.401 -0.480 1.00 0.00 O ATOM 193 OD2 ASP A 351 55.842 -10.754 -1.135 1.00 0.00 O ATOM 0 H ASP A 351 57.466 -8.730 -5.001 1.00 0.00 H new ATOM 0 HA ASP A 351 58.726 -10.388 -2.974 1.00 0.00 H new ATOM 0 HB2 ASP A 351 57.130 -8.356 -2.769 1.00 0.00 H new ATOM 0 HB3 ASP A 351 55.876 -9.465 -3.286 1.00 0.00 H new ATOM 198 N LEU A 352 57.762 -12.528 -3.578 1.00 0.00 N ATOM 199 CA LEU A 352 57.284 -13.823 -3.967 1.00 0.00 C ATOM 200 C LEU A 352 55.978 -14.212 -3.285 1.00 0.00 C ATOM 201 O LEU A 352 55.389 -15.247 -3.611 1.00 0.00 O ATOM 202 CB LEU A 352 58.389 -14.848 -3.780 1.00 0.00 C ATOM 203 CG LEU A 352 59.352 -15.082 -4.972 1.00 0.00 C ATOM 204 CD1 LEU A 352 58.801 -16.144 -5.901 1.00 0.00 C ATOM 205 CD2 LEU A 352 59.592 -13.806 -5.779 1.00 0.00 C ATOM 0 H LEU A 352 58.507 -12.549 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 352 57.028 -13.789 -5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 352 58.986 -14.547 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 352 57.925 -15.802 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 352 60.301 -15.408 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 352 59.491 -16.294 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 352 58.682 -17.079 -5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 352 57.833 -15.823 -6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 352 60.273 -14.019 -6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 352 58.644 -13.443 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.031 -13.045 -5.134 1.00 0.00 H new ATOM 217 N ASP A 353 55.512 -13.391 -2.357 1.00 0.00 N ATOM 218 CA ASP A 353 54.264 -13.639 -1.711 1.00 0.00 C ATOM 219 C ASP A 353 53.160 -12.872 -2.413 1.00 0.00 C ATOM 220 O ASP A 353 52.057 -13.401 -2.639 1.00 0.00 O ATOM 221 CB ASP A 353 54.326 -13.263 -0.234 1.00 0.00 C ATOM 222 CG ASP A 353 55.287 -14.111 0.568 1.00 0.00 C ATOM 223 OD1 ASP A 353 54.979 -15.291 0.831 1.00 0.00 O ATOM 224 OD2 ASP A 353 56.351 -13.611 0.980 1.00 0.00 O ATOM 0 H ASP A 353 55.993 -12.548 -2.044 1.00 0.00 H new ATOM 0 HA ASP A 353 54.048 -14.706 -1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 353 54.618 -12.217 -0.146 1.00 0.00 H new ATOM 0 HB3 ASP A 353 53.329 -13.353 0.197 1.00 0.00 H new ATOM 229 N THR A 354 53.439 -11.629 -2.760 1.00 0.00 N ATOM 230 CA THR A 354 52.468 -10.818 -3.479 1.00 0.00 C ATOM 231 C THR A 354 52.658 -10.944 -4.992 1.00 0.00 C ATOM 232 O THR A 354 51.693 -10.972 -5.748 1.00 0.00 O ATOM 233 CB THR A 354 52.593 -9.340 -3.086 1.00 0.00 C ATOM 234 OG1 THR A 354 53.919 -8.908 -3.354 1.00 0.00 O ATOM 235 CG2 THR A 354 52.301 -9.125 -1.618 1.00 0.00 C ATOM 0 H THR A 354 54.322 -11.160 -2.559 1.00 0.00 H new ATOM 0 HA THR A 354 51.478 -11.185 -3.208 1.00 0.00 H new ATOM 0 HB THR A 354 51.867 -8.770 -3.666 1.00 0.00 H new ATOM 0 HG1 THR A 354 54.020 -7.973 -3.079 1.00 0.00 H new ATOM 0 HG21 THR A 354 52.400 -8.066 -1.379 1.00 0.00 H new ATOM 0 HG22 THR A 354 51.286 -9.454 -1.397 1.00 0.00 H new ATOM 0 HG23 THR A 354 53.007 -9.700 -1.019 1.00 0.00 H new ATOM 243 N LYS A 355 53.911 -11.033 -5.397 1.00 0.00 N ATOM 244 CA LYS A 355 54.339 -11.136 -6.794 1.00 0.00 C ATOM 245 C LYS A 355 54.148 -9.863 -7.532 1.00 0.00 C ATOM 246 O LYS A 355 53.544 -9.772 -8.605 1.00 0.00 O ATOM 247 CB LYS A 355 53.833 -12.358 -7.501 1.00 0.00 C ATOM 248 CG LYS A 355 54.485 -13.634 -6.993 1.00 0.00 C ATOM 249 CD LYS A 355 55.943 -13.795 -7.433 1.00 0.00 C ATOM 250 CE LYS A 355 56.075 -13.883 -8.942 1.00 0.00 C ATOM 251 NZ LYS A 355 57.460 -14.178 -9.372 1.00 0.00 N ATOM 0 H LYS A 355 54.694 -11.036 -4.743 1.00 0.00 H new ATOM 0 HA LYS A 355 55.417 -11.297 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 355 52.753 -12.429 -7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 355 54.019 -12.259 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 355 54.439 -13.647 -5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 355 53.911 -14.491 -7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 355 56.528 -12.951 -7.067 1.00 0.00 H new ATOM 0 HD3 LYS A 355 56.361 -14.694 -6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 355 55.408 -14.659 -9.317 1.00 0.00 H new ATOM 0 HE3 LYS A 355 55.752 -12.942 -9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 57.498 -14.228 -10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 58.095 -13.425 -9.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 57.762 -15.089 -8.970 1.00 0.00 H new ATOM 265 N LYS A 356 54.651 -8.889 -6.903 1.00 0.00 N ATOM 266 CA LYS A 356 54.690 -7.559 -7.349 1.00 0.00 C ATOM 267 C LYS A 356 55.914 -6.965 -6.754 1.00 0.00 C ATOM 268 O LYS A 356 56.501 -7.587 -5.860 1.00 0.00 O ATOM 269 CB LYS A 356 53.438 -6.848 -6.896 1.00 0.00 C ATOM 270 CG LYS A 356 53.256 -6.661 -5.414 1.00 0.00 C ATOM 271 CD LYS A 356 52.019 -5.845 -5.171 1.00 0.00 C ATOM 272 CE LYS A 356 51.683 -5.735 -3.688 1.00 0.00 C ATOM 273 NZ LYS A 356 50.536 -4.832 -3.432 1.00 0.00 N ATOM 0 H LYS A 356 55.083 -9.006 -5.986 1.00 0.00 H new ATOM 0 HA LYS A 356 54.725 -7.477 -8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.418 -5.865 -7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.579 -7.401 -7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.171 -7.629 -4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 356 54.126 -6.161 -4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 356 52.158 -4.846 -5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.179 -6.296 -5.700 1.00 0.00 H new ATOM 0 HE2 LYS A 356 51.456 -6.726 -3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 356 52.556 -5.371 -3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 50.348 -4.791 -2.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 50.760 -3.878 -3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 49.694 -5.192 -3.925 1.00 0.00 H new ATOM 287 N PRO A 357 56.371 -5.811 -7.222 1.00 0.00 N ATOM 288 CA PRO A 357 57.519 -5.211 -6.663 1.00 0.00 C ATOM 289 C PRO A 357 57.243 -4.687 -5.315 1.00 0.00 C ATOM 290 O PRO A 357 56.112 -4.699 -4.828 1.00 0.00 O ATOM 291 CB PRO A 357 57.898 -4.107 -7.574 1.00 0.00 C ATOM 292 CG PRO A 357 56.793 -3.913 -8.531 1.00 0.00 C ATOM 293 CD PRO A 357 55.782 -5.005 -8.289 1.00 0.00 C ATOM 0 HA PRO A 357 58.323 -5.940 -6.560 1.00 0.00 H new ATOM 0 HB2 PRO A 357 58.080 -3.192 -7.010 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.822 -4.346 -8.101 1.00 0.00 H new ATOM 0 HG2 PRO A 357 56.337 -2.932 -8.395 1.00 0.00 H new ATOM 0 HG3 PRO A 357 57.162 -3.954 -9.556 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.817 -4.595 -7.991 1.00 0.00 H new ATOM 0 HD3 PRO A 357 55.613 -5.597 -9.188 1.00 0.00 H new ATOM 301 N CYS A 358 58.219 -4.132 -4.737 1.00 0.00 N ATOM 302 CA CYS A 358 58.115 -3.904 -3.442 1.00 0.00 C ATOM 303 C CYS A 358 58.226 -2.502 -3.149 1.00 0.00 C ATOM 304 O CYS A 358 59.318 -1.927 -3.127 1.00 0.00 O ATOM 305 CB CYS A 358 59.114 -4.650 -2.780 1.00 0.00 C ATOM 306 SG CYS A 358 58.800 -4.786 -1.085 1.00 0.00 S ATOM 0 H CYS A 358 59.090 -3.839 -5.179 1.00 0.00 H new ATOM 0 HA CYS A 358 57.132 -4.217 -3.090 1.00 0.00 H new ATOM 0 HB2 CYS A 358 59.174 -5.646 -3.219 1.00 0.00 H new ATOM 0 HB3 CYS A 358 60.083 -4.175 -2.933 1.00 0.00 H new ATOM 0 HG CYS A 358 59.202 -5.947 -0.661 1.00 0.00 H new ATOM 311 N THR A 359 57.147 -1.958 -2.941 1.00 0.00 N ATOM 312 CA THR A 359 57.038 -0.602 -2.640 1.00 0.00 C ATOM 313 C THR A 359 56.584 -0.431 -1.205 1.00 0.00 C ATOM 314 O THR A 359 55.441 -0.144 -0.879 1.00 0.00 O ATOM 315 CB THR A 359 56.233 0.157 -3.756 1.00 0.00 C ATOM 316 OG1 THR A 359 55.675 1.385 -3.364 1.00 0.00 O ATOM 317 CG2 THR A 359 55.202 -0.720 -4.440 1.00 0.00 C ATOM 0 H THR A 359 56.254 -2.449 -2.971 1.00 0.00 H new ATOM 0 HA THR A 359 58.007 -0.104 -2.668 1.00 0.00 H new ATOM 0 HB THR A 359 57.000 0.411 -4.487 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.230 2.119 -3.700 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.678 -0.141 -5.200 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.700 -1.569 -4.909 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.486 -1.082 -3.703 1.00 0.00 H new ATOM 325 N ARG A 360 57.504 -0.830 -0.356 1.00 0.00 N ATOM 326 CA ARG A 360 57.343 -0.720 1.062 1.00 0.00 C ATOM 327 C ARG A 360 58.108 0.426 1.570 1.00 0.00 C ATOM 328 O ARG A 360 57.578 1.488 1.827 1.00 0.00 O ATOM 329 CB ARG A 360 57.786 -2.018 1.702 1.00 0.00 C ATOM 330 CG ARG A 360 56.881 -3.064 1.194 1.00 0.00 C ATOM 331 CD ARG A 360 56.804 -4.315 1.947 1.00 0.00 C ATOM 332 NE ARG A 360 55.939 -5.221 1.171 1.00 0.00 N ATOM 333 CZ ARG A 360 55.354 -6.341 1.580 1.00 0.00 C ATOM 334 NH1 ARG A 360 55.544 -6.795 2.795 1.00 0.00 N ATOM 335 NH2 ARG A 360 54.544 -6.984 0.753 1.00 0.00 N ATOM 0 H ARG A 360 58.392 -1.243 -0.641 1.00 0.00 H new ATOM 0 HA ARG A 360 56.297 -0.546 1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.821 -2.243 1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 360 57.733 -1.953 2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 360 55.877 -2.642 1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 360 57.183 -3.303 0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 360 57.795 -4.747 2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.392 -4.144 2.942 1.00 0.00 H new ATOM 0 HE ARG A 360 55.769 -4.955 0.201 1.00 0.00 H new ATOM 0 HH11 ARG A 360 56.148 -6.287 3.441 1.00 0.00 H new ATOM 0 HH12 ARG A 360 55.088 -7.657 3.095 1.00 0.00 H new ATOM 0 HH21 ARG A 360 54.376 -6.618 -0.184 1.00 0.00 H new ATOM 0 HH22 ARG A 360 54.088 -7.845 1.053 1.00 0.00 H new ATOM 349 N SER A 361 59.365 0.231 1.616 1.00 0.00 N ATOM 350 CA SER A 361 60.254 1.188 2.078 1.00 0.00 C ATOM 351 C SER A 361 61.605 0.779 1.664 1.00 0.00 C ATOM 352 O SER A 361 61.794 -0.328 1.066 1.00 0.00 O ATOM 353 CB SER A 361 60.172 1.294 3.598 1.00 0.00 C ATOM 354 OG SER A 361 60.272 0.006 4.186 1.00 0.00 O ATOM 0 H SER A 361 59.810 -0.637 1.319 1.00 0.00 H new ATOM 0 HA SER A 361 60.011 2.166 1.663 1.00 0.00 H new ATOM 0 HB2 SER A 361 60.973 1.934 3.969 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.231 1.761 3.887 1.00 0.00 H new ATOM 0 HG SER A 361 60.220 0.087 5.161 1.00 0.00 H new ATOM 360 N LEU A 362 62.542 1.599 1.991 1.00 0.00 N ATOM 361 CA LEU A 362 63.903 1.365 1.713 1.00 0.00 C ATOM 362 C LEU A 362 64.517 0.530 2.806 1.00 0.00 C ATOM 363 O LEU A 362 65.674 0.210 2.787 1.00 0.00 O ATOM 364 CB LEU A 362 64.568 2.696 1.545 1.00 0.00 C ATOM 365 CG LEU A 362 64.010 3.504 0.377 1.00 0.00 C ATOM 366 CD1 LEU A 362 64.714 4.826 0.212 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.042 2.661 -0.884 1.00 0.00 C ATOM 0 H LEU A 362 62.369 2.479 2.476 1.00 0.00 H new ATOM 0 HA LEU A 362 64.033 0.796 0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.453 3.271 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.637 2.544 1.396 1.00 0.00 H new ATOM 0 HG LEU A 362 62.971 3.757 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 362 64.283 5.365 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 362 64.595 5.417 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 362 65.774 4.653 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 362 63.643 3.239 -1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 362 65.070 2.371 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 362 63.436 1.767 -0.739 1.00 0.00 H new ATOM 379 N THR A 363 63.695 0.169 3.730 1.00 0.00 N ATOM 380 CA THR A 363 64.060 -0.697 4.808 1.00 0.00 C ATOM 381 C THR A 363 62.942 -1.723 4.983 1.00 0.00 C ATOM 382 O THR A 363 62.569 -2.093 6.084 1.00 0.00 O ATOM 383 CB THR A 363 64.346 0.117 6.099 1.00 0.00 C ATOM 384 OG1 THR A 363 64.558 -0.736 7.233 1.00 0.00 O ATOM 385 CG2 THR A 363 63.247 1.115 6.364 1.00 0.00 C ATOM 0 H THR A 363 62.722 0.474 3.761 1.00 0.00 H new ATOM 0 HA THR A 363 64.987 -1.226 4.586 1.00 0.00 H new ATOM 0 HB THR A 363 65.271 0.670 5.936 1.00 0.00 H new ATOM 0 HG1 THR A 363 63.951 -1.504 7.183 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.472 1.671 7.274 1.00 0.00 H new ATOM 0 HG22 THR A 363 63.173 1.806 5.525 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.300 0.589 6.485 1.00 0.00 H new ATOM 393 N CYS A 364 62.424 -2.154 3.820 1.00 0.00 N ATOM 394 CA CYS A 364 61.417 -3.199 3.697 1.00 0.00 C ATOM 395 C CYS A 364 61.687 -4.352 4.685 1.00 0.00 C ATOM 396 O CYS A 364 62.713 -5.037 4.578 1.00 0.00 O ATOM 397 CB CYS A 364 61.545 -3.761 2.328 1.00 0.00 C ATOM 398 SG CYS A 364 60.551 -5.217 2.040 1.00 0.00 S ATOM 0 H CYS A 364 62.708 -1.768 2.920 1.00 0.00 H new ATOM 0 HA CYS A 364 60.433 -2.777 3.900 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.265 -2.995 1.605 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.591 -4.006 2.144 1.00 0.00 H new ATOM 0 HG CYS A 364 59.890 -5.078 0.929 1.00 0.00 H new ATOM 403 N LYS A 365 60.738 -4.591 5.551 1.00 0.00 N ATOM 404 CA LYS A 365 60.802 -5.521 6.654 1.00 0.00 C ATOM 405 C LYS A 365 60.724 -6.960 6.175 1.00 0.00 C ATOM 406 O LYS A 365 61.123 -7.884 6.858 1.00 0.00 O ATOM 407 CB LYS A 365 59.578 -5.196 7.503 1.00 0.00 C ATOM 408 CG LYS A 365 59.352 -6.041 8.726 1.00 0.00 C ATOM 409 CD LYS A 365 58.058 -5.631 9.438 1.00 0.00 C ATOM 410 CE LYS A 365 56.805 -5.845 8.565 1.00 0.00 C ATOM 411 NZ LYS A 365 56.534 -7.279 8.306 1.00 0.00 N ATOM 0 H LYS A 365 59.839 -4.111 5.504 1.00 0.00 H new ATOM 0 HA LYS A 365 61.741 -5.427 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 365 59.651 -4.155 7.819 1.00 0.00 H new ATOM 0 HB3 LYS A 365 58.695 -5.275 6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 365 59.299 -7.092 8.443 1.00 0.00 H new ATOM 0 HG3 LYS A 365 60.196 -5.936 9.407 1.00 0.00 H new ATOM 0 HD2 LYS A 365 57.957 -6.206 10.359 1.00 0.00 H new ATOM 0 HD3 LYS A 365 58.122 -4.581 9.723 1.00 0.00 H new ATOM 0 HE2 LYS A 365 55.942 -5.398 9.058 1.00 0.00 H new ATOM 0 HE3 LYS A 365 56.934 -5.325 7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 55.655 -7.373 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 57.323 -7.690 7.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 56.434 -7.782 9.211 1.00 0.00 H new ATOM 425 N THR A 366 60.276 -7.114 4.989 1.00 0.00 N ATOM 426 CA THR A 366 59.944 -8.379 4.466 1.00 0.00 C ATOM 427 C THR A 366 61.113 -9.012 3.714 1.00 0.00 C ATOM 428 O THR A 366 61.222 -10.237 3.574 1.00 0.00 O ATOM 429 CB THR A 366 58.797 -8.141 3.528 1.00 0.00 C ATOM 430 OG1 THR A 366 57.709 -7.561 4.253 1.00 0.00 O ATOM 431 CG2 THR A 366 58.385 -9.380 2.769 1.00 0.00 C ATOM 0 H THR A 366 60.126 -6.343 4.338 1.00 0.00 H new ATOM 0 HA THR A 366 59.689 -9.070 5.269 1.00 0.00 H new ATOM 0 HB THR A 366 59.126 -7.441 2.760 1.00 0.00 H new ATOM 0 HG1 THR A 366 56.981 -8.212 4.326 1.00 0.00 H new ATOM 0 HG21 THR A 366 57.552 -9.142 2.108 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.226 -9.740 2.177 1.00 0.00 H new ATOM 0 HG23 THR A 366 58.080 -10.154 3.474 1.00 0.00 H new ATOM 439 N HIS A 367 61.992 -8.191 3.280 1.00 0.00 N ATOM 440 CA HIS A 367 63.041 -8.631 2.429 1.00 0.00 C ATOM 441 C HIS A 367 64.323 -8.349 3.075 1.00 0.00 C ATOM 442 O HIS A 367 64.481 -7.278 3.634 1.00 0.00 O ATOM 443 CB HIS A 367 62.953 -7.924 1.065 1.00 0.00 C ATOM 444 CG HIS A 367 61.874 -8.434 0.147 1.00 0.00 C ATOM 445 ND1 HIS A 367 61.090 -7.581 -0.609 1.00 0.00 N ATOM 446 CD2 HIS A 367 61.545 -9.711 -0.145 1.00 0.00 C ATOM 447 CE1 HIS A 367 60.319 -8.388 -1.335 1.00 0.00 C ATOM 448 NE2 HIS A 367 60.571 -9.666 -1.079 1.00 0.00 N ATOM 0 H HIS A 367 62.009 -7.195 3.501 1.00 0.00 H new ATOM 0 HA HIS A 367 62.951 -9.704 2.257 1.00 0.00 H new ATOM 0 HB2 HIS A 367 62.790 -6.860 1.235 1.00 0.00 H new ATOM 0 HB3 HIS A 367 63.914 -8.022 0.560 1.00 0.00 H new ATOM 0 HD1 HIS A 367 61.100 -6.561 -0.610 1.00 0.00 H new ATOM 0 HD2 HIS A 367 61.979 -10.600 0.287 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.580 -8.045 -2.044 1.00 0.00 H new ATOM 456 N SER A 368 65.233 -9.274 2.994 1.00 0.00 N ATOM 457 CA SER A 368 66.498 -9.098 3.611 1.00 0.00 C ATOM 458 C SER A 368 67.370 -8.151 2.866 1.00 0.00 C ATOM 459 O SER A 368 67.205 -7.957 1.655 1.00 0.00 O ATOM 460 CB SER A 368 67.162 -10.410 3.906 1.00 0.00 C ATOM 461 OG SER A 368 67.216 -11.228 2.771 1.00 0.00 O ATOM 0 H SER A 368 65.114 -10.160 2.502 1.00 0.00 H new ATOM 0 HA SER A 368 66.319 -8.625 4.577 1.00 0.00 H new ATOM 0 HB2 SER A 368 68.172 -10.232 4.275 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.618 -10.923 4.699 1.00 0.00 H new ATOM 0 HG SER A 368 68.118 -11.198 2.389 1.00 0.00 H new ATOM 467 N LEU A 369 68.288 -7.561 3.597 1.00 0.00 N ATOM 468 CA LEU A 369 69.182 -6.532 3.132 1.00 0.00 C ATOM 469 C LEU A 369 69.861 -6.906 1.836 1.00 0.00 C ATOM 470 O LEU A 369 69.907 -6.090 0.895 1.00 0.00 O ATOM 471 CB LEU A 369 70.170 -6.202 4.265 1.00 0.00 C ATOM 472 CG LEU A 369 71.293 -5.166 4.020 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.471 -5.802 3.307 1.00 0.00 C ATOM 474 CD2 LEU A 369 70.777 -4.010 3.188 1.00 0.00 C ATOM 0 H LEU A 369 68.436 -7.799 4.578 1.00 0.00 H new ATOM 0 HA LEU A 369 68.616 -5.633 2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 369 69.586 -5.855 5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 369 70.647 -7.135 4.565 1.00 0.00 H new ATOM 0 HG LEU A 369 71.620 -4.798 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.247 -5.053 3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 369 72.870 -6.613 3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.144 -6.197 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 369 71.580 -3.291 3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 369 70.424 -4.383 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 369 69.955 -3.523 3.712 1.00 0.00 H new ATOM 486 N THR A 370 70.298 -8.132 1.745 1.00 0.00 N ATOM 487 CA THR A 370 71.014 -8.572 0.569 1.00 0.00 C ATOM 488 C THR A 370 70.108 -8.519 -0.662 1.00 0.00 C ATOM 489 O THR A 370 70.539 -8.186 -1.755 1.00 0.00 O ATOM 490 CB THR A 370 71.579 -9.991 0.742 1.00 0.00 C ATOM 491 OG1 THR A 370 72.419 -10.030 1.915 1.00 0.00 O ATOM 492 CG2 THR A 370 72.399 -10.365 -0.475 1.00 0.00 C ATOM 0 H THR A 370 70.174 -8.844 2.464 1.00 0.00 H new ATOM 0 HA THR A 370 71.853 -7.891 0.428 1.00 0.00 H new ATOM 0 HB THR A 370 70.757 -10.697 0.855 1.00 0.00 H new ATOM 0 HG1 THR A 370 72.780 -10.934 2.029 1.00 0.00 H new ATOM 0 HG21 THR A 370 72.798 -11.371 -0.349 1.00 0.00 H new ATOM 0 HG22 THR A 370 71.768 -10.333 -1.363 1.00 0.00 H new ATOM 0 HG23 THR A 370 73.222 -9.660 -0.590 1.00 0.00 H new ATOM 500 N GLN A 371 68.831 -8.719 -0.439 1.00 0.00 N ATOM 501 CA GLN A 371 67.886 -8.813 -1.530 1.00 0.00 C ATOM 502 C GLN A 371 67.583 -7.436 -2.048 1.00 0.00 C ATOM 503 O GLN A 371 67.317 -7.253 -3.226 1.00 0.00 O ATOM 504 CB GLN A 371 66.602 -9.467 -1.082 1.00 0.00 C ATOM 505 CG GLN A 371 66.815 -10.595 -0.109 1.00 0.00 C ATOM 506 CD GLN A 371 65.603 -11.454 0.074 1.00 0.00 C ATOM 507 OE1 GLN A 371 64.464 -10.855 -0.027 1.00 0.00 O flip ATOM 508 NE2 GLN A 371 65.699 -12.647 0.343 1.00 0.00 N flip ATOM 0 H GLN A 371 68.420 -8.820 0.489 1.00 0.00 H new ATOM 0 HA GLN A 371 68.330 -9.423 -2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 371 65.961 -8.715 -0.621 1.00 0.00 H new ATOM 0 HB3 GLN A 371 66.071 -9.846 -1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.642 -11.214 -0.456 1.00 0.00 H new ATOM 0 HG3 GLN A 371 67.109 -10.183 0.856 1.00 0.00 H new ATOM 0 HE21 GLN A 371 66.619 -13.082 0.413 1.00 0.00 H new ATOM 0 HE22 GLN A 371 64.859 -13.204 0.496 1.00 0.00 H new ATOM 517 N ARG A 372 67.628 -6.448 -1.157 1.00 0.00 N ATOM 518 CA ARG A 372 67.393 -5.103 -1.599 1.00 0.00 C ATOM 519 C ARG A 372 68.596 -4.620 -2.383 1.00 0.00 C ATOM 520 O ARG A 372 68.448 -3.914 -3.364 1.00 0.00 O ATOM 521 CB ARG A 372 67.124 -4.084 -0.499 1.00 0.00 C ATOM 522 CG ARG A 372 65.907 -4.258 0.382 1.00 0.00 C ATOM 523 CD ARG A 372 66.162 -5.271 1.441 1.00 0.00 C ATOM 524 NE ARG A 372 65.541 -4.946 2.692 1.00 0.00 N ATOM 525 CZ ARG A 372 66.096 -4.256 3.704 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.215 -3.570 3.522 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.497 -4.237 4.884 1.00 0.00 N ATOM 0 H ARG A 372 67.819 -6.559 -0.161 1.00 0.00 H new ATOM 0 HA ARG A 372 66.483 -5.162 -2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 372 67.999 -4.062 0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.052 -3.104 -0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 372 65.645 -3.304 0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.055 -4.565 -0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.798 -6.241 1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.237 -5.369 1.591 1.00 0.00 H new ATOM 0 HE ARG A 372 64.583 -5.270 2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 372 67.665 -3.561 2.607 1.00 0.00 H new ATOM 0 HH12 ARG A 372 67.627 -3.050 4.297 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.622 -4.743 5.020 1.00 0.00 H new ATOM 0 HH22 ARG A 372 65.911 -3.716 5.658 1.00 0.00 H new ATOM 541 N ARG A 373 69.808 -5.001 -1.920 1.00 0.00 N ATOM 542 CA ARG A 373 71.040 -4.606 -2.611 1.00 0.00 C ATOM 543 C ARG A 373 71.116 -5.265 -3.978 1.00 0.00 C ATOM 544 O ARG A 373 71.604 -4.670 -4.956 1.00 0.00 O ATOM 545 CB ARG A 373 72.273 -4.966 -1.786 1.00 0.00 C ATOM 546 CG ARG A 373 72.342 -4.258 -0.459 1.00 0.00 C ATOM 547 CD ARG A 373 73.604 -4.582 0.290 1.00 0.00 C ATOM 548 NE ARG A 373 74.763 -3.924 -0.278 1.00 0.00 N ATOM 549 CZ ARG A 373 75.923 -4.496 -0.566 1.00 0.00 C ATOM 550 NH1 ARG A 373 76.105 -5.799 -0.375 1.00 0.00 N ATOM 551 NH2 ARG A 373 76.908 -3.750 -1.031 1.00 0.00 N ATOM 0 H ARG A 373 69.951 -5.571 -1.086 1.00 0.00 H new ATOM 0 HA ARG A 373 71.020 -3.524 -2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.283 -6.042 -1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.167 -4.727 -2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 373 72.283 -3.182 -0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 373 71.480 -4.538 0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.493 -4.282 1.332 1.00 0.00 H new ATOM 0 HD3 ARG A 373 73.761 -5.661 0.284 1.00 0.00 H new ATOM 0 HE ARG A 373 74.678 -2.927 -0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.347 -6.371 -0.003 1.00 0.00 H new ATOM 0 HH12 ARG A 373 77.003 -6.227 -0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 373 76.770 -2.748 -1.164 1.00 0.00 H new ATOM 0 HH22 ARG A 373 77.807 -4.175 -1.257 1.00 0.00 H new ATOM 565 N ALA A 374 70.629 -6.486 -4.025 1.00 0.00 N ATOM 566 CA ALA A 374 70.584 -7.285 -5.241 1.00 0.00 C ATOM 567 C ALA A 374 69.746 -6.642 -6.352 1.00 0.00 C ATOM 568 O ALA A 374 70.197 -6.548 -7.503 1.00 0.00 O ATOM 569 CB ALA A 374 70.070 -8.677 -4.935 1.00 0.00 C ATOM 0 H ALA A 374 70.246 -6.963 -3.209 1.00 0.00 H new ATOM 0 HA ALA A 374 71.606 -7.344 -5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 374 70.041 -9.264 -5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.732 -9.160 -4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 374 69.066 -8.610 -4.516 1.00 0.00 H new ATOM 575 N VAL A 375 68.548 -6.199 -6.028 1.00 0.00 N ATOM 576 CA VAL A 375 67.681 -5.627 -7.039 1.00 0.00 C ATOM 577 C VAL A 375 68.145 -4.221 -7.459 1.00 0.00 C ATOM 578 O VAL A 375 68.276 -3.303 -6.646 1.00 0.00 O ATOM 579 CB VAL A 375 66.171 -5.631 -6.630 1.00 0.00 C ATOM 580 CG1 VAL A 375 65.916 -4.754 -5.426 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.292 -5.207 -7.802 1.00 0.00 C ATOM 0 H VAL A 375 68.156 -6.223 -5.087 1.00 0.00 H new ATOM 0 HA VAL A 375 67.764 -6.281 -7.907 1.00 0.00 H new ATOM 0 HB VAL A 375 65.910 -6.652 -6.353 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.856 -4.783 -5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.501 -5.117 -4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.207 -3.729 -5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.246 -5.217 -7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.568 -4.201 -8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.433 -5.900 -8.632 1.00 0.00 H new ATOM 591 N GLN A 376 68.381 -4.077 -8.733 1.00 0.00 N ATOM 592 CA GLN A 376 68.819 -2.827 -9.350 1.00 0.00 C ATOM 593 C GLN A 376 67.606 -1.916 -9.664 1.00 0.00 C ATOM 594 O GLN A 376 67.496 -1.335 -10.752 1.00 0.00 O ATOM 595 CB GLN A 376 69.627 -3.164 -10.617 1.00 0.00 C ATOM 596 CG GLN A 376 68.955 -4.176 -11.540 1.00 0.00 C ATOM 597 CD GLN A 376 69.784 -4.531 -12.755 1.00 0.00 C ATOM 598 OE1 GLN A 376 71.016 -4.512 -12.719 1.00 0.00 O ATOM 599 NE2 GLN A 376 69.132 -4.856 -13.830 1.00 0.00 N ATOM 0 H GLN A 376 68.275 -4.840 -9.402 1.00 0.00 H new ATOM 0 HA GLN A 376 69.456 -2.272 -8.661 1.00 0.00 H new ATOM 0 HB2 GLN A 376 69.806 -2.245 -11.174 1.00 0.00 H new ATOM 0 HB3 GLN A 376 70.601 -3.552 -10.320 1.00 0.00 H new ATOM 0 HG2 GLN A 376 68.744 -5.085 -10.977 1.00 0.00 H new ATOM 0 HG3 GLN A 376 67.996 -3.775 -11.869 1.00 0.00 H new ATOM 0 HE21 GLN A 376 68.112 -4.862 -13.826 1.00 0.00 H new ATOM 0 HE22 GLN A 376 69.640 -5.106 -14.679 1.00 0.00 H new ATOM 608 N GLY A 377 66.745 -1.771 -8.680 1.00 0.00 N ATOM 609 CA GLY A 377 65.519 -1.013 -8.827 1.00 0.00 C ATOM 610 C GLY A 377 65.704 0.474 -8.722 1.00 0.00 C ATOM 611 O GLY A 377 65.175 1.226 -9.536 1.00 0.00 O ATOM 0 H GLY A 377 66.875 -2.176 -7.753 1.00 0.00 H new ATOM 0 HA2 GLY A 377 65.074 -1.246 -9.794 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.811 -1.336 -8.064 1.00 0.00 H new ATOM 615 N ARG A 378 66.493 0.893 -7.773 1.00 0.00 N ATOM 616 CA ARG A 378 66.636 2.293 -7.456 1.00 0.00 C ATOM 617 C ARG A 378 67.494 2.991 -8.466 1.00 0.00 C ATOM 618 O ARG A 378 68.099 2.365 -9.336 1.00 0.00 O ATOM 619 CB ARG A 378 67.282 2.427 -6.118 1.00 0.00 C ATOM 620 CG ARG A 378 66.575 1.698 -5.010 1.00 0.00 C ATOM 621 CD ARG A 378 67.592 1.168 -4.091 1.00 0.00 C ATOM 622 NE ARG A 378 66.955 0.207 -3.276 1.00 0.00 N ATOM 623 CZ ARG A 378 66.776 -1.043 -3.677 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.222 -1.416 -4.873 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.179 -1.905 -2.899 1.00 0.00 N ATOM 0 H ARG A 378 67.059 0.274 -7.193 1.00 0.00 H new ATOM 0 HA ARG A 378 65.645 2.746 -7.459 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.305 2.058 -6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.341 3.485 -5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 378 65.899 2.371 -4.482 1.00 0.00 H new ATOM 0 HG3 ARG A 378 65.968 0.888 -5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.415 0.718 -4.646 1.00 0.00 H new ATOM 0 HD3 ARG A 378 68.016 1.967 -3.484 1.00 0.00 H new ATOM 0 HE ARG A 378 66.623 0.483 -2.352 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.697 -0.742 -5.473 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.089 -2.376 -5.190 1.00 0.00 H new ATOM 0 HH21 ARG A 378 65.848 -1.617 -1.978 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.043 -2.866 -3.212 1.00 0.00 H new ATOM 639 N ARG A 379 67.585 4.281 -8.317 1.00 0.00 N ATOM 640 CA ARG A 379 68.385 5.089 -9.192 1.00 0.00 C ATOM 641 C ARG A 379 69.880 4.927 -8.906 1.00 0.00 C ATOM 642 O ARG A 379 70.724 5.335 -9.704 1.00 0.00 O ATOM 643 CB ARG A 379 67.919 6.568 -9.140 1.00 0.00 C ATOM 644 CG ARG A 379 67.948 7.272 -7.792 1.00 0.00 C ATOM 645 CD ARG A 379 66.968 8.447 -7.825 1.00 0.00 C ATOM 646 NE ARG A 379 67.059 9.362 -6.669 1.00 0.00 N ATOM 647 CZ ARG A 379 66.049 9.616 -5.799 1.00 0.00 C ATOM 648 NH1 ARG A 379 65.012 8.777 -5.688 1.00 0.00 N ATOM 649 NH2 ARG A 379 66.116 10.673 -4.998 1.00 0.00 N ATOM 0 H ARG A 379 67.106 4.804 -7.584 1.00 0.00 H new ATOM 0 HA ARG A 379 68.239 4.739 -10.214 1.00 0.00 H new ATOM 0 HB2 ARG A 379 68.540 7.140 -9.830 1.00 0.00 H new ATOM 0 HB3 ARG A 379 66.898 6.611 -9.519 1.00 0.00 H new ATOM 0 HG2 ARG A 379 67.676 6.577 -6.998 1.00 0.00 H new ATOM 0 HG3 ARG A 379 68.955 7.627 -7.574 1.00 0.00 H new ATOM 0 HD2 ARG A 379 67.139 9.019 -8.737 1.00 0.00 H new ATOM 0 HD3 ARG A 379 65.953 8.054 -7.880 1.00 0.00 H new ATOM 0 HE ARG A 379 67.947 9.838 -6.513 1.00 0.00 H new ATOM 0 HH11 ARG A 379 64.974 7.934 -6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 379 64.260 8.980 -5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 379 66.926 11.292 -5.037 1.00 0.00 H new ATOM 0 HH22 ARG A 379 65.358 10.866 -4.343 1.00 0.00 H new ATOM 663 N LYS A 380 70.216 4.327 -7.768 1.00 0.00 N ATOM 664 CA LYS A 380 71.569 4.166 -7.357 1.00 0.00 C ATOM 665 C LYS A 380 71.685 2.804 -6.686 1.00 0.00 C ATOM 666 O LYS A 380 70.680 2.064 -6.605 1.00 0.00 O ATOM 667 CB LYS A 380 71.825 5.189 -6.288 1.00 0.00 C ATOM 668 CG LYS A 380 71.298 6.561 -6.567 1.00 0.00 C ATOM 669 CD LYS A 380 71.152 7.319 -5.297 1.00 0.00 C ATOM 670 CE LYS A 380 70.548 8.677 -5.549 1.00 0.00 C ATOM 671 NZ LYS A 380 70.497 9.469 -4.315 1.00 0.00 N ATOM 0 H LYS A 380 69.535 3.942 -7.113 1.00 0.00 H new ATOM 0 HA LYS A 380 72.255 4.263 -8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 380 71.385 4.833 -5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.901 5.258 -6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.974 7.089 -7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 380 70.335 6.493 -7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 380 70.523 6.759 -4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 380 72.126 7.432 -4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 380 71.135 9.206 -6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 380 69.542 8.562 -5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 70.077 10.399 -4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 69.917 8.973 -3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 71.460 9.597 -3.945 1.00 0.00 H new ATOM 685 N ARG A 381 72.880 2.488 -6.197 1.00 0.00 N ATOM 686 CA ARG A 381 73.105 1.322 -5.353 1.00 0.00 C ATOM 687 C ARG A 381 72.259 1.446 -4.113 1.00 0.00 C ATOM 688 O ARG A 381 72.015 2.542 -3.625 1.00 0.00 O ATOM 689 CB ARG A 381 74.600 1.160 -4.985 1.00 0.00 C ATOM 690 CG ARG A 381 75.399 2.432 -4.952 1.00 0.00 C ATOM 691 CD ARG A 381 76.805 2.190 -4.452 1.00 0.00 C ATOM 692 NE ARG A 381 77.578 3.435 -4.386 1.00 0.00 N ATOM 693 CZ ARG A 381 78.738 3.581 -3.728 1.00 0.00 C ATOM 694 NH1 ARG A 381 79.297 2.546 -3.119 1.00 0.00 N ATOM 695 NH2 ARG A 381 79.344 4.764 -3.702 1.00 0.00 N ATOM 0 H ARG A 381 73.722 3.036 -6.376 1.00 0.00 H new ATOM 0 HA ARG A 381 72.818 0.428 -5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.666 0.684 -4.006 1.00 0.00 H new ATOM 0 HB3 ARG A 381 75.061 0.480 -5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.437 2.865 -5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 381 74.903 3.158 -4.308 1.00 0.00 H new ATOM 0 HD2 ARG A 381 76.766 1.733 -3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 381 77.309 1.483 -5.111 1.00 0.00 H new ATOM 0 HE ARG A 381 77.207 4.249 -4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 381 78.845 1.632 -3.149 1.00 0.00 H new ATOM 0 HH12 ARG A 381 80.179 2.663 -2.620 1.00 0.00 H new ATOM 0 HH21 ARG A 381 78.927 5.561 -4.182 1.00 0.00 H new ATOM 0 HH22 ARG A 381 80.226 4.874 -3.202 1.00 0.00 H new ATOM 709 N PHE A 382 71.801 0.353 -3.617 1.00 0.00 N ATOM 710 CA PHE A 382 70.891 0.364 -2.498 1.00 0.00 C ATOM 711 C PHE A 382 71.451 1.008 -1.240 1.00 0.00 C ATOM 712 O PHE A 382 70.749 1.701 -0.562 1.00 0.00 O ATOM 713 CB PHE A 382 70.366 -1.021 -2.213 1.00 0.00 C ATOM 714 CG PHE A 382 69.508 -1.103 -0.981 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.442 -0.255 -0.823 1.00 0.00 C ATOM 716 CD2 PHE A 382 69.778 -1.996 0.013 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.661 -0.294 0.276 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.002 -2.036 1.133 1.00 0.00 C ATOM 719 CZ PHE A 382 67.940 -1.183 1.257 1.00 0.00 C ATOM 0 H PHE A 382 72.037 -0.577 -3.964 1.00 0.00 H new ATOM 0 HA PHE A 382 70.063 1.003 -2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.787 -1.364 -3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.209 -1.704 -2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 382 68.222 0.463 -1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 382 70.611 -2.676 -0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.821 0.378 0.372 1.00 0.00 H new ATOM 0 HE2 PHE A 382 69.225 -2.740 1.921 1.00 0.00 H new ATOM 0 HZ PHE A 382 67.322 -1.219 2.142 1.00 0.00 H new ATOM 729 N ASP A 383 72.681 0.801 -0.977 1.00 0.00 N ATOM 730 CA ASP A 383 73.315 1.303 0.245 1.00 0.00 C ATOM 731 C ASP A 383 73.342 2.800 0.258 1.00 0.00 C ATOM 732 O ASP A 383 73.070 3.440 1.272 1.00 0.00 O ATOM 733 CB ASP A 383 74.725 0.824 0.314 1.00 0.00 C ATOM 734 CG ASP A 383 74.843 -0.662 0.374 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.848 -1.305 -0.695 1.00 0.00 O ATOM 736 OD2 ASP A 383 74.946 -1.221 1.492 1.00 0.00 O ATOM 0 H ASP A 383 73.309 0.278 -1.588 1.00 0.00 H new ATOM 0 HA ASP A 383 72.737 0.937 1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.268 1.189 -0.557 1.00 0.00 H new ATOM 0 HB3 ASP A 383 75.205 1.255 1.193 1.00 0.00 H new ATOM 741 N VAL A 384 73.634 3.345 -0.889 1.00 0.00 N ATOM 742 CA VAL A 384 73.758 4.758 -1.079 1.00 0.00 C ATOM 743 C VAL A 384 72.356 5.385 -1.036 1.00 0.00 C ATOM 744 O VAL A 384 72.159 6.507 -0.587 1.00 0.00 O ATOM 745 CB VAL A 384 74.463 5.014 -2.430 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.527 5.067 -3.601 1.00 0.00 C ATOM 747 CG2 VAL A 384 75.389 6.183 -2.401 1.00 0.00 C ATOM 0 H VAL A 384 73.796 2.803 -1.738 1.00 0.00 H new ATOM 0 HA VAL A 384 74.357 5.215 -0.291 1.00 0.00 H new ATOM 0 HB VAL A 384 75.084 4.131 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 384 74.095 5.250 -4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 384 72.998 4.118 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.807 5.872 -3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.850 6.306 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 384 74.830 7.084 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 384 76.164 6.015 -1.654 1.00 0.00 H new ATOM 757 N LEU A 385 71.402 4.623 -1.509 1.00 0.00 N ATOM 758 CA LEU A 385 70.049 4.972 -1.518 1.00 0.00 C ATOM 759 C LEU A 385 69.516 4.921 -0.085 1.00 0.00 C ATOM 760 O LEU A 385 68.831 5.838 0.372 1.00 0.00 O ATOM 761 CB LEU A 385 69.343 3.960 -2.443 1.00 0.00 C ATOM 762 CG LEU A 385 67.893 4.155 -2.725 1.00 0.00 C ATOM 763 CD1 LEU A 385 67.146 3.516 -1.620 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.582 5.631 -2.810 1.00 0.00 C ATOM 0 H LEU A 385 71.582 3.703 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 385 69.875 5.983 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.870 3.957 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.467 2.968 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 385 67.609 3.707 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 385 66.076 3.636 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.391 2.455 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.420 3.986 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.521 5.768 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.833 6.111 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 385 68.168 6.081 -3.611 1.00 0.00 H new ATOM 776 N LEU A 386 69.846 3.850 0.610 1.00 0.00 N ATOM 777 CA LEU A 386 69.435 3.662 1.975 1.00 0.00 C ATOM 778 C LEU A 386 70.024 4.762 2.821 1.00 0.00 C ATOM 779 O LEU A 386 69.430 5.164 3.782 1.00 0.00 O ATOM 780 CB LEU A 386 69.920 2.334 2.511 1.00 0.00 C ATOM 781 CG LEU A 386 68.901 1.396 3.201 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.620 0.254 3.889 1.00 0.00 C ATOM 783 CD2 LEU A 386 67.984 2.119 4.180 1.00 0.00 C ATOM 0 H LEU A 386 70.409 3.086 0.236 1.00 0.00 H new ATOM 0 HA LEU A 386 68.346 3.682 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.366 1.785 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.719 2.537 3.224 1.00 0.00 H new ATOM 0 HG LEU A 386 68.258 1.001 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 386 68.891 -0.398 4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 386 70.186 -0.316 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.301 0.653 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.294 1.404 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.583 2.586 4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.418 2.885 3.650 1.00 0.00 H new ATOM 795 N ALA A 387 71.196 5.243 2.435 1.00 0.00 N ATOM 796 CA ALA A 387 71.844 6.353 3.122 1.00 0.00 C ATOM 797 C ALA A 387 70.934 7.590 3.118 1.00 0.00 C ATOM 798 O ALA A 387 70.803 8.282 4.127 1.00 0.00 O ATOM 799 CB ALA A 387 73.180 6.653 2.477 1.00 0.00 C ATOM 0 H ALA A 387 71.723 4.878 1.642 1.00 0.00 H new ATOM 0 HA ALA A 387 72.022 6.074 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.657 7.484 2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.819 5.772 2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 387 73.027 6.919 1.431 1.00 0.00 H new ATOM 805 N GLU A 388 70.257 7.818 2.002 1.00 0.00 N ATOM 806 CA GLU A 388 69.303 8.898 1.882 1.00 0.00 C ATOM 807 C GLU A 388 68.083 8.603 2.732 1.00 0.00 C ATOM 808 O GLU A 388 67.505 9.499 3.353 1.00 0.00 O ATOM 809 CB GLU A 388 68.921 9.058 0.446 1.00 0.00 C ATOM 810 CG GLU A 388 70.014 9.670 -0.380 1.00 0.00 C ATOM 811 CD GLU A 388 70.376 11.082 0.033 1.00 0.00 C ATOM 812 OE1 GLU A 388 69.551 12.011 -0.177 1.00 0.00 O ATOM 813 OE2 GLU A 388 71.518 11.311 0.507 1.00 0.00 O ATOM 0 H GLU A 388 70.357 7.256 1.157 1.00 0.00 H new ATOM 0 HA GLU A 388 69.749 9.828 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 388 68.661 8.083 0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 388 68.029 9.681 0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.903 9.043 -0.312 1.00 0.00 H new ATOM 0 HG3 GLU A 388 69.707 9.675 -1.426 1.00 0.00 H new ATOM 820 N HIS A 389 67.716 7.323 2.780 1.00 0.00 N ATOM 821 CA HIS A 389 66.646 6.856 3.642 1.00 0.00 C ATOM 822 C HIS A 389 66.971 7.096 5.071 1.00 0.00 C ATOM 823 O HIS A 389 66.141 7.543 5.795 1.00 0.00 O ATOM 824 CB HIS A 389 66.306 5.389 3.423 1.00 0.00 C ATOM 825 CG HIS A 389 65.276 4.909 4.360 1.00 0.00 C ATOM 826 ND1 HIS A 389 64.043 5.466 4.485 1.00 0.00 N ATOM 827 CD2 HIS A 389 65.396 4.041 5.338 1.00 0.00 C ATOM 828 CE1 HIS A 389 63.470 4.958 5.533 1.00 0.00 C ATOM 829 NE2 HIS A 389 64.270 4.078 6.055 1.00 0.00 N ATOM 0 H HIS A 389 68.153 6.589 2.223 1.00 0.00 H new ATOM 0 HA HIS A 389 65.763 7.435 3.372 1.00 0.00 H new ATOM 0 HB2 HIS A 389 65.958 5.248 2.400 1.00 0.00 H new ATOM 0 HB3 HIS A 389 67.208 4.788 3.539 1.00 0.00 H new ATOM 0 HD1 HIS A 389 63.637 6.164 3.862 1.00 0.00 H new ATOM 0 HD2 HIS A 389 66.252 3.410 5.528 1.00 0.00 H new ATOM 0 HE1 HIS A 389 62.492 5.223 5.908 1.00 0.00 H new ATOM 838 N LYS A 390 68.136 6.740 5.482 1.00 0.00 N ATOM 839 CA LYS A 390 68.547 6.959 6.830 1.00 0.00 C ATOM 840 C LYS A 390 68.627 8.414 7.143 1.00 0.00 C ATOM 841 O LYS A 390 68.253 8.821 8.182 1.00 0.00 O ATOM 842 CB LYS A 390 69.810 6.217 7.113 1.00 0.00 C ATOM 843 CG LYS A 390 69.685 4.756 6.701 1.00 0.00 C ATOM 844 CD LYS A 390 68.479 4.071 7.343 1.00 0.00 C ATOM 845 CE LYS A 390 68.811 3.641 8.745 1.00 0.00 C ATOM 846 NZ LYS A 390 69.915 2.635 8.796 1.00 0.00 N ATOM 0 H LYS A 390 68.836 6.287 4.894 1.00 0.00 H new ATOM 0 HA LYS A 390 67.791 6.557 7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.637 6.681 6.576 1.00 0.00 H new ATOM 0 HB3 LYS A 390 70.044 6.281 8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.600 4.693 5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.594 4.223 6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.629 4.753 7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 390 68.185 3.205 6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 390 69.095 4.515 9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.920 3.220 9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.801 2.037 9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.882 2.040 7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.831 3.126 8.840 1.00 0.00 H new ATOM 860 N ASN A 391 68.996 9.205 6.215 1.00 0.00 N ATOM 861 CA ASN A 391 68.988 10.639 6.459 1.00 0.00 C ATOM 862 C ASN A 391 67.556 11.149 6.828 1.00 0.00 C ATOM 863 O ASN A 391 67.392 12.177 7.498 1.00 0.00 O ATOM 864 CB ASN A 391 69.607 11.400 5.294 1.00 0.00 C ATOM 865 CG ASN A 391 71.095 11.605 5.447 1.00 0.00 C ATOM 866 OD1 ASN A 391 71.543 12.622 5.977 1.00 0.00 O ATOM 867 ND2 ASN A 391 71.872 10.657 5.004 1.00 0.00 N ATOM 0 H ASN A 391 69.307 8.918 5.287 1.00 0.00 H new ATOM 0 HA ASN A 391 69.616 10.839 7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.414 10.857 4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 391 69.120 12.371 5.201 1.00 0.00 H new ATOM 0 HD21 ASN A 391 72.884 10.745 5.091 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.468 9.827 4.570 1.00 0.00 H new ATOM 874 N LYS A 392 66.547 10.401 6.385 1.00 0.00 N ATOM 875 CA LYS A 392 65.173 10.603 6.757 1.00 0.00 C ATOM 876 C LYS A 392 64.793 9.747 8.011 1.00 0.00 C ATOM 877 O LYS A 392 64.461 10.276 9.072 1.00 0.00 O ATOM 878 CB LYS A 392 64.277 10.208 5.587 1.00 0.00 C ATOM 879 CG LYS A 392 62.786 10.339 5.855 1.00 0.00 C ATOM 880 CD LYS A 392 62.206 11.756 5.658 1.00 0.00 C ATOM 881 CE LYS A 392 62.747 12.807 6.617 1.00 0.00 C ATOM 882 NZ LYS A 392 62.079 14.108 6.429 1.00 0.00 N ATOM 0 H LYS A 392 66.680 9.621 5.741 1.00 0.00 H new ATOM 0 HA LYS A 392 65.033 11.655 7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 392 64.533 10.826 4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.494 9.175 5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.253 9.651 5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.588 10.021 6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 392 62.409 12.078 4.637 1.00 0.00 H new ATOM 0 HD3 LYS A 392 61.123 11.708 5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 392 62.606 12.470 7.644 1.00 0.00 H new ATOM 0 HE3 LYS A 392 63.820 12.923 6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 62.472 14.800 7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 62.234 14.441 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 61.059 14.002 6.600 1.00 0.00 H new ATOM 896 N THR A 393 64.882 8.430 7.858 1.00 0.00 N ATOM 897 CA THR A 393 64.423 7.428 8.828 1.00 0.00 C ATOM 898 C THR A 393 65.603 6.558 9.356 1.00 0.00 C ATOM 899 O THR A 393 65.576 5.331 9.395 1.00 0.00 O ATOM 900 CB THR A 393 63.415 6.532 8.136 1.00 0.00 C ATOM 901 OG1 THR A 393 62.429 7.345 7.471 1.00 0.00 O ATOM 902 CG2 THR A 393 62.723 5.596 9.112 1.00 0.00 C ATOM 0 H THR A 393 65.291 8.009 7.024 1.00 0.00 H new ATOM 0 HA THR A 393 63.979 7.940 9.682 1.00 0.00 H new ATOM 0 HB THR A 393 63.954 5.920 7.413 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.778 6.767 7.022 1.00 0.00 H new ATOM 0 HG21 THR A 393 62.009 4.972 8.574 1.00 0.00 H new ATOM 0 HG22 THR A 393 63.465 4.962 9.597 1.00 0.00 H new ATOM 0 HG23 THR A 393 62.197 6.181 9.866 1.00 0.00 H new ATOM 910 N ARG A 394 66.621 7.216 9.649 1.00 0.00 N ATOM 911 CA ARG A 394 67.833 6.674 10.336 1.00 0.00 C ATOM 912 C ARG A 394 67.544 5.825 11.579 1.00 0.00 C ATOM 913 O ARG A 394 68.375 5.027 11.977 1.00 0.00 O ATOM 914 CB ARG A 394 68.863 7.780 10.666 1.00 0.00 C ATOM 915 CG ARG A 394 68.437 8.777 11.685 1.00 0.00 C ATOM 916 CD ARG A 394 69.581 9.705 12.038 1.00 0.00 C ATOM 917 NE ARG A 394 69.179 10.711 13.013 1.00 0.00 N ATOM 918 CZ ARG A 394 69.986 11.306 13.885 1.00 0.00 C ATOM 919 NH1 ARG A 394 71.273 10.993 13.933 1.00 0.00 N ATOM 920 NH2 ARG A 394 69.493 12.217 14.711 1.00 0.00 N ATOM 0 H ARG A 394 66.704 8.209 9.433 1.00 0.00 H new ATOM 0 HA ARG A 394 68.266 5.994 9.603 1.00 0.00 H new ATOM 0 HB2 ARG A 394 69.781 7.304 11.012 1.00 0.00 H new ATOM 0 HB3 ARG A 394 69.106 8.310 9.745 1.00 0.00 H new ATOM 0 HG2 ARG A 394 67.596 9.357 11.304 1.00 0.00 H new ATOM 0 HG3 ARG A 394 68.090 8.263 12.581 1.00 0.00 H new ATOM 0 HD2 ARG A 394 70.412 9.123 12.437 1.00 0.00 H new ATOM 0 HD3 ARG A 394 69.942 10.197 11.135 1.00 0.00 H new ATOM 0 HE ARG A 394 68.195 10.981 13.027 1.00 0.00 H new ATOM 0 HH11 ARG A 394 71.651 10.290 13.297 1.00 0.00 H new ATOM 0 HH12 ARG A 394 71.885 11.455 14.605 1.00 0.00 H new ATOM 0 HH21 ARG A 394 68.502 12.456 14.674 1.00 0.00 H new ATOM 0 HH22 ARG A 394 70.104 12.679 15.384 1.00 0.00 H new