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 HD1:sc= -7.53! C(o=-7.5!,f=-7.8!) USER MOD Set 1.2: A 393 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 347 CYS SG : rot 169:sc= -0.561 USER MOD Set 2.2: A 358 CYS SG : rot 130:sc= 0.123 USER MOD Set 2.3: A 364 CYS SG : rot 132:sc= 0.701 USER MOD Set 2.4: A 366 THR OG1 : rot 180:sc= 0 USER MOD Set 2.5: A 367 HIS : no HD1:sc= 0.233 K(o=-0.92,f=-2.9!) USER MOD Set 2.6: A 371 GLN : amide:sc= -1.41 K(o=-0.92,f=0.26) USER MOD Set 3.1: A 346 HIS : no HD1:sc= -0.759 K(o=0.11,f=-5.1) USER MOD Set 3.2: A 359 THR OG1 : rot 98:sc= 0.872 USER MOD Single : A 354 THR OG1 : rot -170:sc= -1.27 USER MOD Single : A 355 LYS NZ :NH3+ -171:sc=-0.00408 (180deg=-0.0895) USER MOD Single : A 356 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.145) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 363 THR OG1 : rot -42:sc= 0.646 USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 SER OG : rot 180:sc= -1.69! USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 376 GLN : amide:sc= -0.713 K(o=-0.71,f=0) USER MOD Single : A 380 LYS NZ :NH3+ 170:sc= 1.15 (180deg=1.02) USER MOD Single : A 390 LYS NZ :NH3+ -136:sc= -0.264 (180deg=-0.865) USER MOD Single : A 391 ASN : amide:sc= 1.16 K(o=1.2,f=-0.025) USER MOD Single : A 392 LYS NZ :NH3+ 171:sc=-0.00306 (180deg=-0.105) USER MOD ----------------------------------------------------------------- ATOM 40 N PHE A 341 54.282 1.879 -6.850 1.00 0.00 N ATOM 41 CA PHE A 341 55.656 1.379 -6.875 1.00 0.00 C ATOM 42 C PHE A 341 56.590 2.323 -7.539 1.00 0.00 C ATOM 43 O PHE A 341 56.472 2.640 -8.732 1.00 0.00 O ATOM 44 CB PHE A 341 55.793 0.015 -7.551 1.00 0.00 C ATOM 45 CG PHE A 341 57.228 -0.384 -7.679 1.00 0.00 C ATOM 46 CD1 PHE A 341 58.000 -0.553 -6.556 1.00 0.00 C ATOM 47 CD2 PHE A 341 57.804 -0.561 -8.913 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.302 -0.892 -6.653 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.121 -0.913 -9.025 1.00 0.00 C ATOM 50 CZ PHE A 341 59.876 -1.077 -7.893 1.00 0.00 C ATOM 0 HA PHE A 341 55.922 1.276 -5.823 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.254 -0.736 -6.973 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.333 0.048 -8.538 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.558 -0.412 -5.581 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.211 -0.421 -9.805 1.00 0.00 H new ATOM 0 HE1 PHE A 341 59.895 -1.019 -5.759 1.00 0.00 H new ATOM 0 HE2 PHE A 341 59.563 -1.061 -9.999 1.00 0.00 H new ATOM 0 HZ PHE A 341 60.918 -1.350 -7.972 1.00 0.00 H new ATOM 60 N ASP A 342 57.499 2.750 -6.756 1.00 0.00 N ATOM 61 CA ASP A 342 58.490 3.671 -7.174 1.00 0.00 C ATOM 62 C ASP A 342 59.795 2.951 -7.140 1.00 0.00 C ATOM 63 O ASP A 342 60.346 2.765 -6.075 1.00 0.00 O ATOM 64 CB ASP A 342 58.598 4.942 -6.267 1.00 0.00 C ATOM 65 CG ASP A 342 57.382 5.848 -6.232 1.00 0.00 C ATOM 66 OD1 ASP A 342 57.104 6.516 -7.264 1.00 0.00 O ATOM 67 OD2 ASP A 342 56.725 5.978 -5.159 1.00 0.00 O ATOM 0 H ASP A 342 57.582 2.465 -5.780 1.00 0.00 H new ATOM 0 HA ASP A 342 58.219 4.027 -8.168 1.00 0.00 H new ATOM 0 HB2 ASP A 342 58.813 4.618 -5.249 1.00 0.00 H new ATOM 0 HB3 ASP A 342 59.453 5.530 -6.602 1.00 0.00 H new ATOM 72 N PRO A 343 60.308 2.466 -8.267 1.00 0.00 N ATOM 73 CA PRO A 343 61.564 1.739 -8.259 1.00 0.00 C ATOM 74 C PRO A 343 62.704 2.594 -7.807 1.00 0.00 C ATOM 75 O PRO A 343 63.485 2.187 -6.973 1.00 0.00 O ATOM 76 CB PRO A 343 61.764 1.285 -9.697 1.00 0.00 C ATOM 77 CG PRO A 343 60.873 2.139 -10.515 1.00 0.00 C ATOM 78 CD PRO A 343 59.724 2.548 -9.622 1.00 0.00 C ATOM 0 HA PRO A 343 61.533 0.904 -7.559 1.00 0.00 H new ATOM 0 HB2 PRO A 343 62.804 1.399 -10.002 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.511 0.231 -9.813 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.407 3.015 -10.884 1.00 0.00 H new ATOM 0 HG3 PRO A 343 60.511 1.596 -11.388 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.375 3.555 -9.850 1.00 0.00 H new ATOM 0 HD3 PRO A 343 58.869 1.881 -9.734 1.00 0.00 H new ATOM 86 N ASP A 344 62.714 3.816 -8.285 1.00 0.00 N ATOM 87 CA ASP A 344 63.784 4.767 -8.036 1.00 0.00 C ATOM 88 C ASP A 344 63.950 5.107 -6.575 1.00 0.00 C ATOM 89 O ASP A 344 65.011 5.609 -6.159 1.00 0.00 O ATOM 90 CB ASP A 344 63.559 6.060 -8.812 1.00 0.00 C ATOM 91 CG ASP A 344 63.648 5.886 -10.297 1.00 0.00 C ATOM 92 OD1 ASP A 344 64.738 6.009 -10.846 1.00 0.00 O ATOM 93 OD2 ASP A 344 62.620 5.624 -10.941 1.00 0.00 O ATOM 0 H ASP A 344 61.966 4.189 -8.870 1.00 0.00 H new ATOM 0 HA ASP A 344 64.695 4.274 -8.375 1.00 0.00 H new ATOM 0 HB2 ASP A 344 62.577 6.461 -8.559 1.00 0.00 H new ATOM 0 HB3 ASP A 344 64.296 6.798 -8.495 1.00 0.00 H new ATOM 98 N ILE A 345 62.934 4.845 -5.801 1.00 0.00 N ATOM 99 CA ILE A 345 62.935 5.260 -4.425 1.00 0.00 C ATOM 100 C ILE A 345 62.733 4.072 -3.477 1.00 0.00 C ATOM 101 O ILE A 345 63.354 3.999 -2.440 1.00 0.00 O ATOM 102 CB ILE A 345 61.858 6.398 -4.167 1.00 0.00 C ATOM 103 CG1 ILE A 345 60.615 5.886 -3.442 1.00 0.00 C ATOM 104 CG2 ILE A 345 61.459 7.082 -5.476 1.00 0.00 C ATOM 105 CD1 ILE A 345 59.545 6.933 -3.216 1.00 0.00 C ATOM 0 H ILE A 345 62.095 4.347 -6.098 1.00 0.00 H new ATOM 0 HA ILE A 345 63.918 5.680 -4.211 1.00 0.00 H new ATOM 0 HB ILE A 345 62.336 7.127 -3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 345 60.187 5.065 -4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 345 60.915 5.477 -2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.720 7.857 -5.271 1.00 0.00 H new ATOM 0 HG22 ILE A 345 62.340 7.532 -5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 345 61.032 6.345 -6.156 1.00 0.00 H new ATOM 0 HD11 ILE A 345 58.700 6.483 -2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 345 59.952 7.745 -2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 345 59.212 7.326 -4.177 1.00 0.00 H new ATOM 117 N HIS A 346 61.927 3.126 -3.878 1.00 0.00 N ATOM 118 CA HIS A 346 61.531 2.061 -3.001 1.00 0.00 C ATOM 119 C HIS A 346 62.318 0.797 -3.171 1.00 0.00 C ATOM 120 O HIS A 346 63.255 0.714 -3.942 1.00 0.00 O ATOM 121 CB HIS A 346 60.030 1.800 -3.113 1.00 0.00 C ATOM 122 CG HIS A 346 59.240 2.773 -2.315 1.00 0.00 C ATOM 123 ND1 HIS A 346 58.273 3.555 -2.870 1.00 0.00 N ATOM 124 CD2 HIS A 346 59.322 3.039 -0.998 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.792 4.287 -1.867 1.00 0.00 C ATOM 126 NE2 HIS A 346 58.400 4.000 -0.724 1.00 0.00 N ATOM 0 H HIS A 346 61.529 3.073 -4.816 1.00 0.00 H new ATOM 0 HA HIS A 346 61.760 2.405 -1.993 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.728 1.857 -4.159 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.811 0.788 -2.773 1.00 0.00 H new ATOM 0 HD2 HIS A 346 59.994 2.576 -0.291 1.00 0.00 H new ATOM 0 HE1 HIS A 346 57.007 5.021 -1.971 1.00 0.00 H new ATOM 0 HE2 HIS A 346 58.212 4.420 0.186 1.00 0.00 H new ATOM 134 N CYS A 347 61.904 -0.182 -2.407 1.00 0.00 N ATOM 135 CA CYS A 347 62.542 -1.488 -2.303 1.00 0.00 C ATOM 136 C CYS A 347 62.706 -2.187 -3.661 1.00 0.00 C ATOM 137 O CYS A 347 63.754 -2.743 -3.918 1.00 0.00 O ATOM 138 CB CYS A 347 61.743 -2.336 -1.290 1.00 0.00 C ATOM 139 SG CYS A 347 62.346 -4.041 -0.882 1.00 0.00 S ATOM 0 H CYS A 347 61.080 -0.096 -1.812 1.00 0.00 H new ATOM 0 HA CYS A 347 63.563 -1.358 -1.943 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.689 -1.773 -0.358 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.724 -2.427 -1.667 1.00 0.00 H new ATOM 0 HG CYS A 347 61.688 -4.501 0.141 1.00 0.00 H new ATOM 144 N GLY A 348 61.648 -2.248 -4.461 1.00 0.00 N ATOM 145 CA GLY A 348 61.777 -2.817 -5.810 1.00 0.00 C ATOM 146 C GLY A 348 62.024 -4.298 -5.830 1.00 0.00 C ATOM 147 O GLY A 348 62.279 -4.874 -6.872 1.00 0.00 O ATOM 0 H GLY A 348 60.713 -1.922 -4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 348 60.867 -2.604 -6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.595 -2.316 -6.327 1.00 0.00 H new ATOM 151 N VAL A 349 61.905 -4.916 -4.688 1.00 0.00 N ATOM 152 CA VAL A 349 62.114 -6.330 -4.599 1.00 0.00 C ATOM 153 C VAL A 349 60.826 -6.934 -4.817 1.00 0.00 C ATOM 154 O VAL A 349 59.903 -6.757 -4.003 1.00 0.00 O ATOM 155 CB VAL A 349 62.700 -6.811 -3.235 1.00 0.00 C ATOM 156 CG1 VAL A 349 62.909 -8.324 -3.222 1.00 0.00 C ATOM 157 CG2 VAL A 349 63.997 -6.117 -2.914 1.00 0.00 C ATOM 0 H VAL A 349 61.664 -4.461 -3.807 1.00 0.00 H new ATOM 0 HA VAL A 349 62.860 -6.621 -5.339 1.00 0.00 H new ATOM 0 HB VAL A 349 61.969 -6.551 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.318 -8.627 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 349 61.954 -8.825 -3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 349 63.604 -8.602 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.375 -6.477 -1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 349 64.726 -6.329 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.830 -5.041 -2.856 1.00 0.00 H new ATOM 167 N ILE A 350 60.719 -7.540 -5.925 1.00 0.00 N ATOM 168 CA ILE A 350 59.555 -8.200 -6.263 1.00 0.00 C ATOM 169 C ILE A 350 59.409 -9.393 -5.378 1.00 0.00 C ATOM 170 O ILE A 350 60.343 -10.196 -5.205 1.00 0.00 O ATOM 171 CB ILE A 350 59.491 -8.528 -7.754 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.412 -7.190 -8.520 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.340 -9.467 -8.054 1.00 0.00 C ATOM 174 CD1 ILE A 350 58.880 -7.263 -9.928 1.00 0.00 C ATOM 0 H ILE A 350 61.456 -7.587 -6.628 1.00 0.00 H new ATOM 0 HA ILE A 350 58.698 -7.548 -6.095 1.00 0.00 H new ATOM 0 HB ILE A 350 60.382 -9.063 -8.081 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.783 -6.505 -7.951 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.410 -6.754 -8.553 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.317 -9.685 -9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.473 -10.395 -7.497 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.401 -8.998 -7.759 1.00 0.00 H new ATOM 0 HD11 ILE A 350 58.871 -6.265 -10.366 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.518 -7.915 -10.525 1.00 0.00 H new ATOM 0 HD13 ILE A 350 57.866 -7.662 -9.914 1.00 0.00 H new ATOM 186 N ASP A 351 58.281 -9.468 -4.778 1.00 0.00 N ATOM 187 CA ASP A 351 58.032 -10.436 -3.778 1.00 0.00 C ATOM 188 C ASP A 351 57.680 -11.723 -4.426 1.00 0.00 C ATOM 189 O ASP A 351 56.951 -11.738 -5.370 1.00 0.00 O ATOM 190 CB ASP A 351 56.907 -9.945 -2.928 1.00 0.00 C ATOM 191 CG ASP A 351 56.659 -10.781 -1.730 1.00 0.00 C ATOM 192 OD1 ASP A 351 57.510 -10.798 -0.815 1.00 0.00 O ATOM 193 OD2 ASP A 351 55.610 -11.434 -1.686 1.00 0.00 O ATOM 0 H ASP A 351 57.493 -8.850 -4.970 1.00 0.00 H new ATOM 0 HA ASP A 351 58.913 -10.594 -3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 351 57.121 -8.925 -2.610 1.00 0.00 H new ATOM 0 HB3 ASP A 351 55.998 -9.908 -3.529 1.00 0.00 H new ATOM 198 N LEU A 352 58.225 -12.783 -3.962 1.00 0.00 N ATOM 199 CA LEU A 352 57.978 -14.072 -4.538 1.00 0.00 C ATOM 200 C LEU A 352 56.663 -14.692 -4.117 1.00 0.00 C ATOM 201 O LEU A 352 56.259 -15.724 -4.666 1.00 0.00 O ATOM 202 CB LEU A 352 59.157 -14.962 -4.287 1.00 0.00 C ATOM 203 CG LEU A 352 60.231 -14.976 -5.373 1.00 0.00 C ATOM 204 CD1 LEU A 352 59.780 -15.837 -6.532 1.00 0.00 C ATOM 205 CD2 LEU A 352 60.541 -13.573 -5.894 1.00 0.00 C ATOM 0 H LEU A 352 58.862 -12.793 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 352 57.863 -13.940 -5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 352 59.622 -14.659 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 352 58.795 -15.981 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 352 61.137 -15.382 -4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 352 60.551 -15.842 -7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 352 59.608 -16.855 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 352 58.856 -15.434 -6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 352 61.310 -13.633 -6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 352 59.637 -13.134 -6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.897 -12.951 -5.073 1.00 0.00 H new ATOM 217 N ASP A 353 55.995 -14.085 -3.162 1.00 0.00 N ATOM 218 CA ASP A 353 54.682 -14.563 -2.785 1.00 0.00 C ATOM 219 C ASP A 353 53.689 -13.785 -3.529 1.00 0.00 C ATOM 220 O ASP A 353 52.890 -14.327 -4.285 1.00 0.00 O ATOM 221 CB ASP A 353 54.379 -14.355 -1.324 1.00 0.00 C ATOM 222 CG ASP A 353 53.123 -15.082 -0.894 1.00 0.00 C ATOM 223 OD1 ASP A 353 53.175 -16.324 -0.730 1.00 0.00 O ATOM 224 OD2 ASP A 353 52.060 -14.440 -0.725 1.00 0.00 O ATOM 0 H ASP A 353 56.330 -13.275 -2.640 1.00 0.00 H new ATOM 0 HA ASP A 353 54.652 -15.631 -3.000 1.00 0.00 H new ATOM 0 HB2 ASP A 353 55.221 -14.703 -0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 353 54.266 -13.289 -1.126 1.00 0.00 H new ATOM 229 N THR A 354 53.763 -12.489 -3.350 1.00 0.00 N ATOM 230 CA THR A 354 52.801 -11.659 -3.930 1.00 0.00 C ATOM 231 C THR A 354 53.056 -11.436 -5.430 1.00 0.00 C ATOM 232 O THR A 354 52.119 -11.279 -6.222 1.00 0.00 O ATOM 233 CB THR A 354 52.595 -10.341 -3.157 1.00 0.00 C ATOM 234 OG1 THR A 354 53.852 -9.673 -2.942 1.00 0.00 O ATOM 235 CG2 THR A 354 51.924 -10.591 -1.817 1.00 0.00 C ATOM 0 H THR A 354 54.483 -12.012 -2.807 1.00 0.00 H new ATOM 0 HA THR A 354 51.853 -12.192 -3.853 1.00 0.00 H new ATOM 0 HB THR A 354 51.949 -9.706 -3.763 1.00 0.00 H new ATOM 0 HG1 THR A 354 53.724 -8.927 -2.319 1.00 0.00 H new ATOM 0 HG21 THR A 354 51.792 -9.644 -1.294 1.00 0.00 H new ATOM 0 HG22 THR A 354 50.951 -11.056 -1.978 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.547 -11.253 -1.216 1.00 0.00 H new ATOM 243 N LYS A 355 54.332 -11.433 -5.794 1.00 0.00 N ATOM 244 CA LYS A 355 54.789 -11.295 -7.182 1.00 0.00 C ATOM 245 C LYS A 355 54.458 -9.985 -7.764 1.00 0.00 C ATOM 246 O LYS A 355 53.924 -9.849 -8.860 1.00 0.00 O ATOM 247 CB LYS A 355 54.454 -12.480 -8.054 1.00 0.00 C ATOM 248 CG LYS A 355 55.402 -13.646 -7.824 1.00 0.00 C ATOM 249 CD LYS A 355 56.801 -13.386 -8.396 1.00 0.00 C ATOM 250 CE LYS A 355 56.802 -13.269 -9.924 1.00 0.00 C ATOM 251 NZ LYS A 355 56.393 -14.527 -10.587 1.00 0.00 N ATOM 0 H LYS A 355 55.096 -11.528 -5.125 1.00 0.00 H new ATOM 0 HA LYS A 355 55.878 -11.311 -7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 355 53.432 -12.800 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 355 54.495 -12.182 -9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 355 55.481 -13.841 -6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 355 54.987 -14.544 -8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 355 57.201 -12.468 -7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 355 57.468 -14.195 -8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 355 56.127 -12.467 -10.225 1.00 0.00 H new ATOM 0 HE3 LYS A 355 57.800 -12.990 -10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 56.555 -14.448 -11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 56.953 -15.317 -10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 55.383 -14.701 -10.408 1.00 0.00 H new ATOM 265 N LYS A 356 54.801 -9.045 -6.996 1.00 0.00 N ATOM 266 CA LYS A 356 54.644 -7.681 -7.257 1.00 0.00 C ATOM 267 C LYS A 356 55.779 -6.992 -6.558 1.00 0.00 C ATOM 268 O LYS A 356 56.418 -7.620 -5.689 1.00 0.00 O ATOM 269 CB LYS A 356 53.294 -7.287 -6.733 1.00 0.00 C ATOM 270 CG LYS A 356 53.131 -7.338 -5.244 1.00 0.00 C ATOM 271 CD LYS A 356 51.678 -7.215 -4.920 1.00 0.00 C ATOM 272 CE LYS A 356 51.406 -7.076 -3.431 1.00 0.00 C ATOM 273 NZ LYS A 356 51.913 -5.803 -2.906 1.00 0.00 N ATOM 0 H LYS A 356 55.236 -9.221 -6.091 1.00 0.00 H new ATOM 0 HA LYS A 356 54.676 -7.413 -8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.077 -6.273 -7.069 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.546 -7.939 -7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.528 -8.274 -4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 356 53.693 -6.531 -4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 356 51.269 -6.349 -5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.153 -8.092 -5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 356 50.334 -7.144 -3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 356 51.874 -7.903 -2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 51.525 -5.640 -1.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 52.951 -5.837 -2.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 51.623 -5.028 -3.536 1.00 0.00 H new ATOM 287 N PRO A 357 56.084 -5.745 -6.890 1.00 0.00 N ATOM 288 CA PRO A 357 57.213 -5.077 -6.333 1.00 0.00 C ATOM 289 C PRO A 357 57.030 -4.669 -4.932 1.00 0.00 C ATOM 290 O PRO A 357 56.074 -5.061 -4.244 1.00 0.00 O ATOM 291 CB PRO A 357 57.436 -3.876 -7.181 1.00 0.00 C ATOM 292 CG PRO A 357 56.249 -3.696 -8.042 1.00 0.00 C ATOM 293 CD PRO A 357 55.320 -4.880 -7.786 1.00 0.00 C ATOM 0 HA PRO A 357 58.062 -5.760 -6.324 1.00 0.00 H new ATOM 0 HB2 PRO A 357 57.592 -2.995 -6.559 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.332 -4.000 -7.789 1.00 0.00 H new ATOM 0 HG2 PRO A 357 55.746 -2.756 -7.812 1.00 0.00 H new ATOM 0 HG3 PRO A 357 56.538 -3.654 -9.092 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.384 -4.560 -7.329 1.00 0.00 H new ATOM 0 HD3 PRO A 357 55.064 -5.393 -8.713 1.00 0.00 H new ATOM 301 N CYS A 358 57.917 -3.854 -4.479 1.00 0.00 N ATOM 302 CA CYS A 358 57.915 -3.580 -3.186 1.00 0.00 C ATOM 303 C CYS A 358 58.128 -2.170 -2.923 1.00 0.00 C ATOM 304 O CYS A 358 59.254 -1.681 -2.913 1.00 0.00 O ATOM 305 CB CYS A 358 58.920 -4.353 -2.534 1.00 0.00 C ATOM 306 SG CYS A 358 58.741 -4.249 -0.789 1.00 0.00 S ATOM 0 H CYS A 358 58.636 -3.390 -5.033 1.00 0.00 H new ATOM 0 HA CYS A 358 56.931 -3.837 -2.794 1.00 0.00 H new ATOM 0 HB2 CYS A 358 58.850 -5.393 -2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 358 59.908 -3.997 -2.826 1.00 0.00 H new ATOM 0 HG CYS A 358 58.751 -5.445 -0.280 1.00 0.00 H new ATOM 311 N THR A 359 57.088 -1.528 -2.748 1.00 0.00 N ATOM 312 CA THR A 359 57.101 -0.176 -2.343 1.00 0.00 C ATOM 313 C THR A 359 56.608 -0.102 -0.897 1.00 0.00 C ATOM 314 O THR A 359 55.475 0.244 -0.598 1.00 0.00 O ATOM 315 CB THR A 359 56.319 0.727 -3.363 1.00 0.00 C ATOM 316 OG1 THR A 359 56.051 2.038 -2.890 1.00 0.00 O ATOM 317 CG2 THR A 359 55.044 0.061 -3.764 1.00 0.00 C ATOM 0 H THR A 359 56.154 -1.916 -2.880 1.00 0.00 H new ATOM 0 HA THR A 359 58.112 0.232 -2.354 1.00 0.00 H new ATOM 0 HB THR A 359 56.976 0.844 -4.225 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.720 2.658 -3.248 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.509 0.695 -4.471 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.266 -0.898 -4.232 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.425 -0.101 -2.882 1.00 0.00 H new ATOM 325 N ARG A 360 57.433 -0.681 -0.043 1.00 0.00 N ATOM 326 CA ARG A 360 57.275 -0.588 1.370 1.00 0.00 C ATOM 327 C ARG A 360 57.994 0.630 1.828 1.00 0.00 C ATOM 328 O ARG A 360 57.407 1.658 2.112 1.00 0.00 O ATOM 329 CB ARG A 360 57.899 -1.813 2.013 1.00 0.00 C ATOM 330 CG ARG A 360 56.908 -2.826 2.463 1.00 0.00 C ATOM 331 CD ARG A 360 56.421 -2.501 3.858 1.00 0.00 C ATOM 332 NE ARG A 360 55.674 -1.235 3.955 1.00 0.00 N ATOM 333 CZ ARG A 360 55.592 -0.471 5.066 1.00 0.00 C ATOM 334 NH1 ARG A 360 56.203 -0.838 6.193 1.00 0.00 N ATOM 335 NH2 ARG A 360 54.890 0.651 5.043 1.00 0.00 N ATOM 0 H ARG A 360 58.240 -1.234 -0.332 1.00 0.00 H new ATOM 0 HA ARG A 360 56.221 -0.532 1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.581 -2.277 1.301 1.00 0.00 H new ATOM 0 HB3 ARG A 360 58.497 -1.498 2.869 1.00 0.00 H new ATOM 0 HG2 ARG A 360 56.065 -2.851 1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 360 57.360 -3.818 2.450 1.00 0.00 H new ATOM 0 HD2 ARG A 360 55.784 -3.314 4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 360 57.279 -2.457 4.529 1.00 0.00 H new ATOM 0 HE ARG A 360 55.182 -0.911 3.122 1.00 0.00 H new ATOM 0 HH11 ARG A 360 56.740 -1.705 6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 360 56.133 -0.252 7.025 1.00 0.00 H new ATOM 0 HH21 ARG A 360 54.413 0.937 4.188 1.00 0.00 H new ATOM 0 HH22 ARG A 360 54.826 1.230 5.880 1.00 0.00 H new ATOM 349 N SER A 361 59.270 0.484 1.853 1.00 0.00 N ATOM 350 CA SER A 361 60.169 1.520 2.152 1.00 0.00 C ATOM 351 C SER A 361 61.494 1.150 1.609 1.00 0.00 C ATOM 352 O SER A 361 61.686 0.016 1.073 1.00 0.00 O ATOM 353 CB SER A 361 60.250 1.765 3.652 1.00 0.00 C ATOM 354 OG SER A 361 60.563 0.558 4.347 1.00 0.00 O ATOM 0 H SER A 361 59.729 -0.405 1.655 1.00 0.00 H new ATOM 0 HA SER A 361 59.823 2.448 1.697 1.00 0.00 H new ATOM 0 HB2 SER A 361 61.010 2.518 3.861 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.301 2.161 4.012 1.00 0.00 H new ATOM 0 HG SER A 361 60.612 0.738 5.309 1.00 0.00 H new ATOM 360 N LEU A 362 62.398 2.051 1.782 1.00 0.00 N ATOM 361 CA LEU A 362 63.735 1.955 1.319 1.00 0.00 C ATOM 362 C LEU A 362 64.522 1.025 2.240 1.00 0.00 C ATOM 363 O LEU A 362 65.585 0.571 1.911 1.00 0.00 O ATOM 364 CB LEU A 362 64.366 3.363 1.318 1.00 0.00 C ATOM 365 CG LEU A 362 63.688 4.472 0.446 1.00 0.00 C ATOM 366 CD1 LEU A 362 62.351 4.954 0.994 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.606 5.658 0.210 1.00 0.00 C ATOM 0 H LEU A 362 62.211 2.922 2.278 1.00 0.00 H new ATOM 0 HA LEU A 362 63.755 1.550 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.392 3.718 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.400 3.265 0.988 1.00 0.00 H new ATOM 0 HG LEU A 362 63.487 3.984 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 362 61.943 5.721 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 362 61.656 4.116 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 362 62.495 5.370 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 362 64.091 6.401 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 362 64.881 6.101 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 362 65.506 5.324 -0.307 1.00 0.00 H new ATOM 379 N THR A 363 63.932 0.719 3.375 1.00 0.00 N ATOM 380 CA THR A 363 64.566 -0.095 4.398 1.00 0.00 C ATOM 381 C THR A 363 63.661 -1.291 4.736 1.00 0.00 C ATOM 382 O THR A 363 63.766 -1.879 5.815 1.00 0.00 O ATOM 383 CB THR A 363 64.823 0.765 5.659 1.00 0.00 C ATOM 384 OG1 THR A 363 65.542 0.033 6.655 1.00 0.00 O ATOM 385 CG2 THR A 363 63.512 1.269 6.232 1.00 0.00 C ATOM 0 H THR A 363 62.991 1.029 3.619 1.00 0.00 H new ATOM 0 HA THR A 363 65.521 -0.471 4.031 1.00 0.00 H new ATOM 0 HB THR A 363 65.434 1.616 5.358 1.00 0.00 H new ATOM 0 HG1 THR A 363 65.183 -0.877 6.715 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.710 1.872 7.118 1.00 0.00 H new ATOM 0 HG22 THR A 363 62.999 1.877 5.487 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.884 0.421 6.503 1.00 0.00 H new ATOM 393 N CYS A 364 62.814 -1.633 3.750 1.00 0.00 N ATOM 394 CA CYS A 364 61.837 -2.735 3.781 1.00 0.00 C ATOM 395 C CYS A 364 62.170 -3.860 4.777 1.00 0.00 C ATOM 396 O CYS A 364 63.175 -4.549 4.618 1.00 0.00 O ATOM 397 CB CYS A 364 61.827 -3.345 2.436 1.00 0.00 C ATOM 398 SG CYS A 364 60.784 -4.788 2.315 1.00 0.00 S ATOM 0 H CYS A 364 62.791 -1.124 2.867 1.00 0.00 H new ATOM 0 HA CYS A 364 60.885 -2.303 4.091 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.492 -2.603 1.712 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.846 -3.619 2.163 1.00 0.00 H new ATOM 0 HG CYS A 364 60.030 -4.691 1.260 1.00 0.00 H new ATOM 403 N LYS A 365 61.273 -4.088 5.706 1.00 0.00 N ATOM 404 CA LYS A 365 61.450 -5.000 6.803 1.00 0.00 C ATOM 405 C LYS A 365 60.952 -6.410 6.447 1.00 0.00 C ATOM 406 O LYS A 365 61.031 -7.343 7.237 1.00 0.00 O ATOM 407 CB LYS A 365 60.649 -4.403 7.939 1.00 0.00 C ATOM 408 CG LYS A 365 60.747 -5.080 9.258 1.00 0.00 C ATOM 409 CD LYS A 365 59.993 -4.290 10.322 1.00 0.00 C ATOM 410 CE LYS A 365 58.499 -4.137 10.017 1.00 0.00 C ATOM 411 NZ LYS A 365 57.769 -5.421 10.058 1.00 0.00 N ATOM 0 H LYS A 365 60.365 -3.623 5.716 1.00 0.00 H new ATOM 0 HA LYS A 365 62.501 -5.120 7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 365 60.960 -3.366 8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 365 59.600 -4.387 7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 365 60.338 -6.088 9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 365 61.794 -5.180 9.545 1.00 0.00 H new ATOM 0 HD2 LYS A 365 60.111 -4.786 11.285 1.00 0.00 H new ATOM 0 HD3 LYS A 365 60.441 -3.301 10.416 1.00 0.00 H new ATOM 0 HE2 LYS A 365 58.055 -3.449 10.737 1.00 0.00 H new ATOM 0 HE3 LYS A 365 58.379 -3.688 9.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 56.765 -5.256 9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 58.171 -6.071 9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 57.857 -5.840 11.006 1.00 0.00 H new ATOM 425 N THR A 366 60.440 -6.554 5.269 1.00 0.00 N ATOM 426 CA THR A 366 59.925 -7.817 4.824 1.00 0.00 C ATOM 427 C THR A 366 61.052 -8.641 4.222 1.00 0.00 C ATOM 428 O THR A 366 61.184 -9.849 4.430 1.00 0.00 O ATOM 429 CB THR A 366 59.005 -7.550 3.672 1.00 0.00 C ATOM 430 OG1 THR A 366 58.085 -6.483 3.948 1.00 0.00 O ATOM 431 CG2 THR A 366 58.294 -8.795 3.194 1.00 0.00 C ATOM 0 H THR A 366 60.365 -5.802 4.584 1.00 0.00 H new ATOM 0 HA THR A 366 59.448 -8.324 5.663 1.00 0.00 H new ATOM 0 HB THR A 366 59.639 -7.220 2.849 1.00 0.00 H new ATOM 0 HG1 THR A 366 57.506 -6.341 3.170 1.00 0.00 H new ATOM 0 HG21 THR A 366 57.641 -8.543 2.359 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.029 -9.532 2.871 1.00 0.00 H new ATOM 0 HG23 THR A 366 57.699 -9.209 4.008 1.00 0.00 H new ATOM 439 N HIS A 367 61.855 -7.934 3.494 1.00 0.00 N ATOM 440 CA HIS A 367 62.834 -8.485 2.620 1.00 0.00 C ATOM 441 C HIS A 367 64.168 -8.248 3.191 1.00 0.00 C ATOM 442 O HIS A 367 64.446 -7.136 3.588 1.00 0.00 O ATOM 443 CB HIS A 367 62.709 -7.805 1.226 1.00 0.00 C ATOM 444 CG HIS A 367 61.507 -8.225 0.388 1.00 0.00 C ATOM 445 ND1 HIS A 367 60.760 -7.302 -0.342 1.00 0.00 N ATOM 446 CD2 HIS A 367 61.014 -9.468 0.164 1.00 0.00 C ATOM 447 CE1 HIS A 367 59.835 -8.048 -0.990 1.00 0.00 C ATOM 448 NE2 HIS A 367 59.961 -9.345 -0.701 1.00 0.00 N ATOM 0 H HIS A 367 61.844 -6.914 3.494 1.00 0.00 H new ATOM 0 HA HIS A 367 62.682 -9.558 2.504 1.00 0.00 H new ATOM 0 HB2 HIS A 367 62.667 -6.726 1.372 1.00 0.00 H new ATOM 0 HB3 HIS A 367 63.615 -8.015 0.658 1.00 0.00 H new ATOM 0 HD2 HIS A 367 61.385 -10.388 0.591 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.088 -7.644 -1.658 1.00 0.00 H new ATOM 0 HE2 HIS A 367 59.380 -10.103 -1.059 1.00 0.00 H new ATOM 456 N SER A 368 64.987 -9.265 3.204 1.00 0.00 N ATOM 457 CA SER A 368 66.287 -9.163 3.776 1.00 0.00 C ATOM 458 C SER A 368 67.209 -8.277 3.007 1.00 0.00 C ATOM 459 O SER A 368 67.031 -8.070 1.800 1.00 0.00 O ATOM 460 CB SER A 368 66.873 -10.516 4.063 1.00 0.00 C ATOM 461 OG SER A 368 66.790 -11.365 2.955 1.00 0.00 O ATOM 0 H SER A 368 64.765 -10.182 2.817 1.00 0.00 H new ATOM 0 HA SER A 368 66.161 -8.662 4.736 1.00 0.00 H new ATOM 0 HB2 SER A 368 67.916 -10.405 4.358 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.350 -10.967 4.906 1.00 0.00 H new ATOM 0 HG SER A 368 67.182 -12.235 3.179 1.00 0.00 H new ATOM 467 N LEU A 369 68.187 -7.758 3.716 1.00 0.00 N ATOM 468 CA LEU A 369 69.156 -6.816 3.223 1.00 0.00 C ATOM 469 C LEU A 369 69.742 -7.232 1.893 1.00 0.00 C ATOM 470 O LEU A 369 69.797 -6.419 0.948 1.00 0.00 O ATOM 471 CB LEU A 369 70.226 -6.622 4.311 1.00 0.00 C ATOM 472 CG LEU A 369 71.421 -5.689 4.030 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.498 -6.417 3.265 1.00 0.00 C ATOM 474 CD2 LEU A 369 70.980 -4.491 3.222 1.00 0.00 C ATOM 0 H LEU A 369 68.331 -7.995 4.697 1.00 0.00 H new ATOM 0 HA LEU A 369 68.670 -5.862 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 369 69.723 -6.252 5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 369 70.627 -7.605 4.556 1.00 0.00 H new ATOM 0 HG LEU A 369 71.816 -5.359 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.332 -5.740 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 369 72.846 -7.269 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.095 -6.769 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 369 71.837 -3.844 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 369 70.563 -4.826 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.222 -3.937 3.776 1.00 0.00 H new ATOM 486 N THR A 370 70.091 -8.479 1.784 1.00 0.00 N ATOM 487 CA THR A 370 70.740 -8.959 0.591 1.00 0.00 C ATOM 488 C THR A 370 69.779 -8.901 -0.600 1.00 0.00 C ATOM 489 O THR A 370 70.175 -8.657 -1.727 1.00 0.00 O ATOM 490 CB THR A 370 71.287 -10.370 0.788 1.00 0.00 C ATOM 491 OG1 THR A 370 72.035 -10.391 2.022 1.00 0.00 O ATOM 492 CG2 THR A 370 72.212 -10.720 -0.358 1.00 0.00 C ATOM 0 H THR A 370 69.939 -9.186 2.504 1.00 0.00 H new ATOM 0 HA THR A 370 71.588 -8.307 0.379 1.00 0.00 H new ATOM 0 HB THR A 370 70.469 -11.090 0.821 1.00 0.00 H new ATOM 0 HG1 THR A 370 72.395 -11.290 2.171 1.00 0.00 H new ATOM 0 HG21 THR A 370 72.602 -11.728 -0.216 1.00 0.00 H new ATOM 0 HG22 THR A 370 71.661 -10.673 -1.297 1.00 0.00 H new ATOM 0 HG23 THR A 370 73.040 -10.011 -0.387 1.00 0.00 H new ATOM 500 N GLN A 371 68.504 -9.038 -0.310 1.00 0.00 N ATOM 501 CA GLN A 371 67.484 -9.078 -1.343 1.00 0.00 C ATOM 502 C GLN A 371 67.279 -7.698 -1.893 1.00 0.00 C ATOM 503 O GLN A 371 66.981 -7.526 -3.078 1.00 0.00 O ATOM 504 CB GLN A 371 66.172 -9.598 -0.799 1.00 0.00 C ATOM 505 CG GLN A 371 66.346 -10.786 0.098 1.00 0.00 C ATOM 506 CD GLN A 371 65.068 -11.513 0.401 1.00 0.00 C ATOM 507 OE1 GLN A 371 65.056 -12.725 0.573 1.00 0.00 O ATOM 508 NE2 GLN A 371 64.006 -10.785 0.526 1.00 0.00 N ATOM 0 H GLN A 371 68.143 -9.125 0.640 1.00 0.00 H new ATOM 0 HA GLN A 371 67.821 -9.753 -2.130 1.00 0.00 H new ATOM 0 HB2 GLN A 371 65.671 -8.802 -0.247 1.00 0.00 H new ATOM 0 HB3 GLN A 371 65.521 -9.868 -1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.046 -11.480 -0.367 1.00 0.00 H new ATOM 0 HG3 GLN A 371 66.797 -10.458 1.035 1.00 0.00 H new ATOM 0 HE21 GLN A 371 64.057 -9.778 0.374 1.00 0.00 H new ATOM 0 HE22 GLN A 371 63.117 -11.218 0.776 1.00 0.00 H new ATOM 517 N ARG A 372 67.446 -6.697 -1.024 1.00 0.00 N ATOM 518 CA ARG A 372 67.330 -5.332 -1.469 1.00 0.00 C ATOM 519 C ARG A 372 68.514 -4.975 -2.329 1.00 0.00 C ATOM 520 O ARG A 372 68.352 -4.338 -3.353 1.00 0.00 O ATOM 521 CB ARG A 372 67.231 -4.288 -0.363 1.00 0.00 C ATOM 522 CG ARG A 372 66.021 -4.332 0.542 1.00 0.00 C ATOM 523 CD ARG A 372 66.240 -5.277 1.662 1.00 0.00 C ATOM 524 NE ARG A 372 65.726 -4.792 2.919 1.00 0.00 N ATOM 525 CZ ARG A 372 66.451 -4.230 3.918 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.700 -3.830 3.713 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.895 -4.045 5.099 1.00 0.00 N ATOM 0 H ARG A 372 67.657 -6.815 -0.033 1.00 0.00 H new ATOM 0 HA ARG A 372 66.387 -5.302 -2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 372 68.120 -4.377 0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.265 -3.303 -0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 372 65.818 -3.336 0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.144 -4.635 -0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.765 -6.229 1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.308 -5.470 1.763 1.00 0.00 H new ATOM 0 HE ARG A 372 64.721 -4.880 3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 372 68.128 -3.944 2.794 1.00 0.00 H new ATOM 0 HH12 ARG A 372 68.232 -3.409 4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.927 -4.324 5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 372 66.433 -3.623 5.856 1.00 0.00 H new ATOM 541 N ARG A 373 69.719 -5.395 -1.890 1.00 0.00 N ATOM 542 CA ARG A 373 70.944 -5.137 -2.648 1.00 0.00 C ATOM 543 C ARG A 373 70.906 -5.833 -3.988 1.00 0.00 C ATOM 544 O ARG A 373 71.347 -5.285 -4.996 1.00 0.00 O ATOM 545 CB ARG A 373 72.178 -5.597 -1.872 1.00 0.00 C ATOM 546 CG ARG A 373 72.570 -4.686 -0.739 1.00 0.00 C ATOM 547 CD ARG A 373 73.787 -5.210 -0.003 1.00 0.00 C ATOM 548 NE ARG A 373 74.365 -4.189 0.876 1.00 0.00 N ATOM 549 CZ ARG A 373 75.183 -4.406 1.913 1.00 0.00 C ATOM 550 NH1 ARG A 373 75.542 -5.636 2.256 1.00 0.00 N ATOM 551 NH2 ARG A 373 75.642 -3.376 2.591 1.00 0.00 N ATOM 0 H ARG A 373 69.861 -5.909 -1.021 1.00 0.00 H new ATOM 0 HA ARG A 373 71.007 -4.060 -2.807 1.00 0.00 H new ATOM 0 HB2 ARG A 373 71.992 -6.594 -1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.017 -5.681 -2.563 1.00 0.00 H new ATOM 0 HG2 ARG A 373 72.779 -3.689 -1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 373 71.736 -4.589 -0.043 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.509 -6.084 0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 373 74.536 -5.537 -0.724 1.00 0.00 H new ATOM 0 HE ARG A 373 74.120 -3.219 0.678 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.194 -6.435 1.726 1.00 0.00 H new ATOM 0 HH12 ARG A 373 76.166 -5.783 3.049 1.00 0.00 H new ATOM 0 HH21 ARG A 373 75.374 -2.429 2.324 1.00 0.00 H new ATOM 0 HH22 ARG A 373 76.266 -3.525 3.384 1.00 0.00 H new ATOM 565 N ALA A 374 70.370 -7.040 -3.982 1.00 0.00 N ATOM 566 CA ALA A 374 70.256 -7.869 -5.182 1.00 0.00 C ATOM 567 C ALA A 374 69.458 -7.203 -6.314 1.00 0.00 C ATOM 568 O ALA A 374 69.682 -7.501 -7.485 1.00 0.00 O ATOM 569 CB ALA A 374 69.662 -9.227 -4.847 1.00 0.00 C ATOM 0 H ALA A 374 69.997 -7.481 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 374 71.272 -7.999 -5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 374 69.587 -9.825 -5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.303 -9.737 -4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 374 68.669 -9.094 -4.417 1.00 0.00 H new ATOM 575 N VAL A 375 68.526 -6.337 -5.982 1.00 0.00 N ATOM 576 CA VAL A 375 67.761 -5.653 -7.004 1.00 0.00 C ATOM 577 C VAL A 375 68.292 -4.253 -7.196 1.00 0.00 C ATOM 578 O VAL A 375 68.590 -3.550 -6.219 1.00 0.00 O ATOM 579 CB VAL A 375 66.217 -5.622 -6.714 1.00 0.00 C ATOM 580 CG1 VAL A 375 65.882 -4.836 -5.462 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.436 -5.084 -7.914 1.00 0.00 C ATOM 0 H VAL A 375 68.280 -6.091 -5.023 1.00 0.00 H new ATOM 0 HA VAL A 375 67.885 -6.225 -7.923 1.00 0.00 H new ATOM 0 HB VAL A 375 65.912 -6.654 -6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.803 -4.844 -5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.377 -5.290 -4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.224 -3.807 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.371 -5.075 -7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.767 -4.070 -8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.613 -5.723 -8.779 1.00 0.00 H new ATOM 591 N GLN A 376 68.465 -3.868 -8.435 1.00 0.00 N ATOM 592 CA GLN A 376 68.840 -2.524 -8.733 1.00 0.00 C ATOM 593 C GLN A 376 67.730 -1.581 -8.325 1.00 0.00 C ATOM 594 O GLN A 376 67.920 -0.813 -7.387 1.00 0.00 O ATOM 595 CB GLN A 376 69.311 -2.348 -10.186 1.00 0.00 C ATOM 596 CG GLN A 376 68.444 -3.035 -11.231 1.00 0.00 C ATOM 597 CD GLN A 376 68.894 -2.781 -12.657 1.00 0.00 C ATOM 598 OE1 GLN A 376 68.086 -2.777 -13.581 1.00 0.00 O ATOM 599 NE2 GLN A 376 70.163 -2.574 -12.858 1.00 0.00 N ATOM 0 H GLN A 376 68.350 -4.472 -9.249 1.00 0.00 H new ATOM 0 HA GLN A 376 69.717 -2.265 -8.140 1.00 0.00 H new ATOM 0 HB2 GLN A 376 69.351 -1.283 -10.413 1.00 0.00 H new ATOM 0 HB3 GLN A 376 70.328 -2.730 -10.271 1.00 0.00 H new ATOM 0 HG2 GLN A 376 68.447 -4.109 -11.044 1.00 0.00 H new ATOM 0 HG3 GLN A 376 67.415 -2.694 -11.118 1.00 0.00 H new ATOM 0 HE21 GLN A 376 70.812 -2.583 -12.071 1.00 0.00 H new ATOM 0 HE22 GLN A 376 70.509 -2.403 -13.802 1.00 0.00 H new ATOM 608 N GLY A 377 66.543 -1.754 -8.941 1.00 0.00 N ATOM 609 CA GLY A 377 65.332 -0.957 -8.656 1.00 0.00 C ATOM 610 C GLY A 377 65.515 0.549 -8.678 1.00 0.00 C ATOM 611 O GLY A 377 65.092 1.235 -9.610 1.00 0.00 O ATOM 0 H GLY A 377 66.396 -2.462 -9.661 1.00 0.00 H new ATOM 0 HA2 GLY A 377 64.565 -1.222 -9.384 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.953 -1.244 -7.675 1.00 0.00 H new ATOM 615 N ARG A 378 66.146 1.019 -7.653 1.00 0.00 N ATOM 616 CA ARG A 378 66.410 2.388 -7.362 1.00 0.00 C ATOM 617 C ARG A 378 67.308 2.988 -8.417 1.00 0.00 C ATOM 618 O ARG A 378 68.020 2.272 -9.145 1.00 0.00 O ATOM 619 CB ARG A 378 67.132 2.426 -6.041 1.00 0.00 C ATOM 620 CG ARG A 378 66.441 1.643 -4.938 1.00 0.00 C ATOM 621 CD ARG A 378 67.458 1.138 -3.991 1.00 0.00 C ATOM 622 NE ARG A 378 66.871 0.117 -3.198 1.00 0.00 N ATOM 623 CZ ARG A 378 66.789 -1.142 -3.614 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.244 -1.465 -4.805 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.271 -2.067 -2.844 1.00 0.00 N ATOM 0 H ARG A 378 66.523 0.399 -6.936 1.00 0.00 H new ATOM 0 HA ARG A 378 65.478 2.953 -7.335 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.139 2.031 -6.177 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.237 3.464 -5.725 1.00 0.00 H new ATOM 0 HG2 ARG A 378 65.726 2.279 -4.417 1.00 0.00 H new ATOM 0 HG3 ARG A 378 65.878 0.812 -5.363 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.319 0.748 -4.533 1.00 0.00 H new ATOM 0 HD3 ARG A 378 67.820 1.948 -3.358 1.00 0.00 H new ATOM 0 HE ARG A 378 66.500 0.358 -2.279 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.657 -0.750 -5.404 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.184 -2.430 -5.130 1.00 0.00 H new ATOM 0 HH21 ARG A 378 65.926 -1.823 -1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.213 -3.031 -3.173 1.00 0.00 H new ATOM 639 N ARG A 379 67.325 4.289 -8.459 1.00 0.00 N ATOM 640 CA ARG A 379 68.135 5.019 -9.417 1.00 0.00 C ATOM 641 C ARG A 379 69.589 5.080 -8.971 1.00 0.00 C ATOM 642 O ARG A 379 70.432 5.622 -9.659 1.00 0.00 O ATOM 643 CB ARG A 379 67.567 6.420 -9.627 1.00 0.00 C ATOM 644 CG ARG A 379 67.480 7.267 -8.394 1.00 0.00 C ATOM 645 CD ARG A 379 66.608 8.473 -8.635 1.00 0.00 C ATOM 646 NE ARG A 379 67.171 9.432 -9.593 1.00 0.00 N ATOM 647 CZ ARG A 379 66.613 10.622 -9.883 1.00 0.00 C ATOM 648 NH1 ARG A 379 65.443 10.962 -9.342 1.00 0.00 N ATOM 649 NH2 ARG A 379 67.209 11.452 -10.729 1.00 0.00 N ATOM 0 H ARG A 379 66.780 4.883 -7.833 1.00 0.00 H new ATOM 0 HA ARG A 379 68.106 4.488 -10.368 1.00 0.00 H new ATOM 0 HB2 ARG A 379 68.184 6.938 -10.361 1.00 0.00 H new ATOM 0 HB3 ARG A 379 66.569 6.329 -10.057 1.00 0.00 H new ATOM 0 HG2 ARG A 379 67.075 6.678 -7.571 1.00 0.00 H new ATOM 0 HG3 ARG A 379 68.478 7.588 -8.096 1.00 0.00 H new ATOM 0 HD2 ARG A 379 65.636 8.140 -8.998 1.00 0.00 H new ATOM 0 HD3 ARG A 379 66.436 8.981 -7.686 1.00 0.00 H new ATOM 0 HE ARG A 379 68.038 9.181 -10.068 1.00 0.00 H new ATOM 0 HH11 ARG A 379 64.969 10.320 -8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 379 65.022 11.864 -9.563 1.00 0.00 H new ATOM 0 HH21 ARG A 379 68.094 11.189 -11.163 1.00 0.00 H new ATOM 0 HH22 ARG A 379 66.782 12.353 -10.946 1.00 0.00 H new ATOM 663 N LYS A 380 69.857 4.540 -7.792 1.00 0.00 N ATOM 664 CA LYS A 380 71.140 4.511 -7.203 1.00 0.00 C ATOM 665 C LYS A 380 71.315 3.081 -6.683 1.00 0.00 C ATOM 666 O LYS A 380 70.386 2.271 -6.812 1.00 0.00 O ATOM 667 CB LYS A 380 71.082 5.447 -6.006 1.00 0.00 C ATOM 668 CG LYS A 380 70.466 6.789 -6.289 1.00 0.00 C ATOM 669 CD LYS A 380 69.716 7.297 -5.081 1.00 0.00 C ATOM 670 CE LYS A 380 68.958 8.576 -5.384 1.00 0.00 C ATOM 671 NZ LYS A 380 69.851 9.733 -5.491 1.00 0.00 N ATOM 0 H LYS A 380 69.141 4.098 -7.215 1.00 0.00 H new ATOM 0 HA LYS A 380 71.940 4.797 -7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 380 70.516 4.963 -5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.094 5.598 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.244 7.501 -6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 380 69.787 6.711 -7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 380 69.018 6.533 -4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 380 70.418 7.475 -4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 380 68.406 8.457 -6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 380 68.224 8.757 -4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 69.321 10.547 -5.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 70.231 9.967 -4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 70.636 9.507 -6.135 1.00 0.00 H new ATOM 685 N ARG A 381 72.457 2.779 -6.089 1.00 0.00 N ATOM 686 CA ARG A 381 72.664 1.495 -5.403 1.00 0.00 C ATOM 687 C ARG A 381 71.759 1.439 -4.209 1.00 0.00 C ATOM 688 O ARG A 381 71.271 2.462 -3.752 1.00 0.00 O ATOM 689 CB ARG A 381 74.117 1.334 -4.933 1.00 0.00 C ATOM 690 CG ARG A 381 75.140 1.359 -6.040 1.00 0.00 C ATOM 691 CD ARG A 381 74.758 0.374 -7.099 1.00 0.00 C ATOM 692 NE ARG A 381 75.722 0.289 -8.190 1.00 0.00 N ATOM 693 CZ ARG A 381 75.427 -0.144 -9.425 1.00 0.00 C ATOM 694 NH1 ARG A 381 74.169 -0.422 -9.754 1.00 0.00 N ATOM 695 NH2 ARG A 381 76.383 -0.266 -10.332 1.00 0.00 N ATOM 0 H ARG A 381 73.264 3.402 -6.063 1.00 0.00 H new ATOM 0 HA ARG A 381 72.442 0.690 -6.103 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.347 2.131 -4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.208 0.392 -4.393 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.205 2.360 -6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 381 76.126 1.117 -5.643 1.00 0.00 H new ATOM 0 HD2 ARG A 381 74.647 -0.611 -6.645 1.00 0.00 H new ATOM 0 HD3 ARG A 381 73.785 0.649 -7.505 1.00 0.00 H new ATOM 0 HE ARG A 381 76.682 0.577 -8.002 1.00 0.00 H new ATOM 0 HH11 ARG A 381 73.425 -0.306 -9.066 1.00 0.00 H new ATOM 0 HH12 ARG A 381 73.948 -0.751 -10.694 1.00 0.00 H new ATOM 0 HH21 ARG A 381 77.346 -0.031 -10.093 1.00 0.00 H new ATOM 0 HH22 ARG A 381 76.157 -0.595 -11.270 1.00 0.00 H new ATOM 709 N PHE A 382 71.543 0.289 -3.690 1.00 0.00 N ATOM 710 CA PHE A 382 70.664 0.167 -2.573 1.00 0.00 C ATOM 711 C PHE A 382 71.224 0.830 -1.317 1.00 0.00 C ATOM 712 O PHE A 382 70.518 1.524 -0.620 1.00 0.00 O ATOM 713 CB PHE A 382 70.274 -1.279 -2.312 1.00 0.00 C ATOM 714 CG PHE A 382 69.615 -1.441 -0.985 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.393 -0.881 -0.767 1.00 0.00 C ATOM 716 CD2 PHE A 382 70.237 -2.092 0.052 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.786 -0.945 0.430 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.620 -2.172 1.267 1.00 0.00 C ATOM 719 CZ PHE A 382 68.392 -1.587 1.449 1.00 0.00 C ATOM 0 H PHE A 382 71.958 -0.584 -4.014 1.00 0.00 H new ATOM 0 HA PHE A 382 69.755 0.707 -2.838 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.600 -1.622 -3.097 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.162 -1.909 -2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 382 67.897 -0.371 -1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 382 71.210 -2.539 -0.093 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.819 -0.485 0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 382 70.097 -2.694 2.083 1.00 0.00 H new ATOM 0 HZ PHE A 382 67.909 -1.641 2.413 1.00 0.00 H new ATOM 729 N ASP A 383 72.465 0.623 -1.064 1.00 0.00 N ATOM 730 CA ASP A 383 73.123 1.159 0.126 1.00 0.00 C ATOM 731 C ASP A 383 73.187 2.645 0.093 1.00 0.00 C ATOM 732 O ASP A 383 73.001 3.308 1.105 1.00 0.00 O ATOM 733 CB ASP A 383 74.525 0.659 0.240 1.00 0.00 C ATOM 734 CG ASP A 383 74.632 -0.779 0.643 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.629 -1.055 1.851 1.00 0.00 O ATOM 736 OD2 ASP A 383 74.735 -1.664 -0.231 1.00 0.00 O ATOM 0 H ASP A 383 73.079 0.075 -1.667 1.00 0.00 H new ATOM 0 HA ASP A 383 72.528 0.826 0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.026 0.795 -0.718 1.00 0.00 H new ATOM 0 HB3 ASP A 383 75.059 1.270 0.968 1.00 0.00 H new ATOM 741 N VAL A 384 73.463 3.165 -1.067 1.00 0.00 N ATOM 742 CA VAL A 384 73.595 4.584 -1.263 1.00 0.00 C ATOM 743 C VAL A 384 72.222 5.236 -1.118 1.00 0.00 C ATOM 744 O VAL A 384 72.081 6.334 -0.605 1.00 0.00 O ATOM 745 CB VAL A 384 74.211 4.850 -2.650 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.240 4.715 -3.758 1.00 0.00 C ATOM 747 CG2 VAL A 384 74.983 6.124 -2.745 1.00 0.00 C ATOM 0 H VAL A 384 73.605 2.613 -1.913 1.00 0.00 H new ATOM 0 HA VAL A 384 74.257 5.017 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 384 74.942 4.050 -2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 384 73.739 4.915 -4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 384 72.837 3.702 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.427 5.428 -3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.382 6.233 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 384 74.326 6.965 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.805 6.105 -2.030 1.00 0.00 H new ATOM 757 N LEU A 385 71.226 4.500 -1.546 1.00 0.00 N ATOM 758 CA LEU A 385 69.876 4.866 -1.451 1.00 0.00 C ATOM 759 C LEU A 385 69.440 4.808 -0.003 1.00 0.00 C ATOM 760 O LEU A 385 68.779 5.717 0.503 1.00 0.00 O ATOM 761 CB LEU A 385 69.072 3.900 -2.330 1.00 0.00 C ATOM 762 CG LEU A 385 67.597 4.128 -2.468 1.00 0.00 C ATOM 763 CD1 LEU A 385 66.907 3.459 -1.306 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.337 5.625 -2.494 1.00 0.00 C ATOM 0 H LEU A 385 71.365 3.591 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 385 69.711 5.886 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.507 3.919 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.218 2.893 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 385 67.208 3.702 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 385 65.831 3.612 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.124 2.391 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.267 3.890 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.267 5.807 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.696 6.073 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 385 67.861 6.071 -3.339 1.00 0.00 H new ATOM 776 N LEU A 386 69.802 3.738 0.661 1.00 0.00 N ATOM 777 CA LEU A 386 69.461 3.578 2.042 1.00 0.00 C ATOM 778 C LEU A 386 70.118 4.660 2.857 1.00 0.00 C ATOM 779 O LEU A 386 69.578 5.085 3.842 1.00 0.00 O ATOM 780 CB LEU A 386 69.890 2.241 2.567 1.00 0.00 C ATOM 781 CG LEU A 386 68.818 1.358 3.219 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.475 0.243 3.975 1.00 0.00 C ATOM 783 CD2 LEU A 386 67.877 2.134 4.126 1.00 0.00 C ATOM 0 H LEU A 386 70.334 2.966 0.261 1.00 0.00 H new ATOM 0 HA LEU A 386 68.376 3.647 2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.330 1.681 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.681 2.405 3.299 1.00 0.00 H new ATOM 0 HG LEU A 386 68.203 0.952 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 386 68.711 -0.383 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 386 70.072 -0.359 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.120 0.659 4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.143 1.453 4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.448 2.604 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.364 2.902 3.547 1.00 0.00 H new ATOM 795 N ALA A 387 71.273 5.111 2.411 1.00 0.00 N ATOM 796 CA ALA A 387 71.990 6.193 3.066 1.00 0.00 C ATOM 797 C ALA A 387 71.126 7.449 3.083 1.00 0.00 C ATOM 798 O ALA A 387 71.056 8.157 4.089 1.00 0.00 O ATOM 799 CB ALA A 387 73.301 6.455 2.356 1.00 0.00 C ATOM 0 H ALA A 387 71.743 4.740 1.585 1.00 0.00 H new ATOM 0 HA ALA A 387 72.209 5.907 4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.829 7.267 2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.914 5.554 2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 387 73.105 6.732 1.320 1.00 0.00 H new ATOM 805 N GLU A 388 70.428 7.686 1.986 1.00 0.00 N ATOM 806 CA GLU A 388 69.530 8.808 1.873 1.00 0.00 C ATOM 807 C GLU A 388 68.342 8.549 2.776 1.00 0.00 C ATOM 808 O GLU A 388 67.878 9.445 3.493 1.00 0.00 O ATOM 809 CB GLU A 388 69.035 8.932 0.444 1.00 0.00 C ATOM 810 CG GLU A 388 70.112 8.912 -0.618 1.00 0.00 C ATOM 811 CD GLU A 388 69.608 9.329 -1.977 1.00 0.00 C ATOM 812 OE1 GLU A 388 68.422 9.109 -2.286 1.00 0.00 O ATOM 813 OE2 GLU A 388 70.384 9.953 -2.756 1.00 0.00 O ATOM 0 H GLU A 388 70.472 7.102 1.151 1.00 0.00 H new ATOM 0 HA GLU A 388 70.046 9.726 2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 388 68.338 8.117 0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 388 68.473 9.862 0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.923 9.576 -0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 388 70.530 7.908 -0.684 1.00 0.00 H new ATOM 820 N HIS A 389 67.876 7.304 2.770 1.00 0.00 N ATOM 821 CA HIS A 389 66.769 6.906 3.586 1.00 0.00 C ATOM 822 C HIS A 389 67.053 7.097 5.020 1.00 0.00 C ATOM 823 O HIS A 389 66.259 7.636 5.696 1.00 0.00 O ATOM 824 CB HIS A 389 66.330 5.487 3.338 1.00 0.00 C ATOM 825 CG HIS A 389 65.152 5.158 4.144 1.00 0.00 C ATOM 826 ND1 HIS A 389 64.003 5.883 4.104 1.00 0.00 N ATOM 827 CD2 HIS A 389 65.028 4.300 5.135 1.00 0.00 C ATOM 828 CE1 HIS A 389 63.232 5.494 5.057 1.00 0.00 C ATOM 829 NE2 HIS A 389 63.817 4.518 5.694 1.00 0.00 N ATOM 0 H HIS A 389 68.264 6.556 2.196 1.00 0.00 H new ATOM 0 HA HIS A 389 65.946 7.559 3.295 1.00 0.00 H new ATOM 0 HB2 HIS A 389 66.102 5.352 2.281 1.00 0.00 H new ATOM 0 HB3 HIS A 389 67.144 4.803 3.579 1.00 0.00 H new ATOM 0 HD2 HIS A 389 65.755 3.563 5.442 1.00 0.00 H new ATOM 0 HE1 HIS A 389 62.262 5.907 5.291 1.00 0.00 H new ATOM 0 HE2 HIS A 389 63.425 4.004 6.483 1.00 0.00 H new ATOM 838 N LYS A 390 68.150 6.626 5.470 1.00 0.00 N ATOM 839 CA LYS A 390 68.525 6.753 6.834 1.00 0.00 C ATOM 840 C LYS A 390 68.771 8.152 7.199 1.00 0.00 C ATOM 841 O LYS A 390 68.610 8.516 8.288 1.00 0.00 O ATOM 842 CB LYS A 390 69.656 5.854 7.148 1.00 0.00 C ATOM 843 CG LYS A 390 69.328 4.433 6.733 1.00 0.00 C ATOM 844 CD LYS A 390 68.062 3.922 7.406 1.00 0.00 C ATOM 845 CE LYS A 390 68.358 3.559 8.837 1.00 0.00 C ATOM 846 NZ LYS A 390 69.426 2.527 8.967 1.00 0.00 N ATOM 0 H LYS A 390 68.831 6.130 4.895 1.00 0.00 H new ATOM 0 HA LYS A 390 67.690 6.433 7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.554 6.193 6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 390 69.871 5.888 8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.206 4.390 5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.163 3.779 6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.285 4.685 7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 390 67.681 3.052 6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.659 4.456 9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.447 3.192 9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.140 1.818 9.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.573 2.062 8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.311 2.980 9.271 1.00 0.00 H new ATOM 860 N ASN A 391 69.141 8.940 6.300 1.00 0.00 N ATOM 861 CA ASN A 391 69.255 10.319 6.641 1.00 0.00 C ATOM 862 C ASN A 391 67.871 10.937 6.940 1.00 0.00 C ATOM 863 O ASN A 391 67.758 11.887 7.717 1.00 0.00 O ATOM 864 CB ASN A 391 70.094 11.085 5.630 1.00 0.00 C ATOM 865 CG ASN A 391 71.555 11.107 6.009 1.00 0.00 C ATOM 866 OD1 ASN A 391 72.020 12.006 6.723 1.00 0.00 O ATOM 867 ND2 ASN A 391 72.295 10.137 5.549 1.00 0.00 N ATOM 0 H ASN A 391 69.371 8.690 5.338 1.00 0.00 H new ATOM 0 HA ASN A 391 69.812 10.403 7.574 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.981 10.630 4.646 1.00 0.00 H new ATOM 0 HB3 ASN A 391 69.724 12.107 5.552 1.00 0.00 H new ATOM 0 HD21 ASN A 391 73.289 10.103 5.775 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.880 9.412 4.963 1.00 0.00 H new ATOM 874 N LYS A 392 66.830 10.363 6.365 1.00 0.00 N ATOM 875 CA LYS A 392 65.485 10.740 6.683 1.00 0.00 C ATOM 876 C LYS A 392 64.936 9.846 7.835 1.00 0.00 C ATOM 877 O LYS A 392 64.750 10.297 8.954 1.00 0.00 O ATOM 878 CB LYS A 392 64.604 10.571 5.459 1.00 0.00 C ATOM 879 CG LYS A 392 63.183 11.003 5.699 1.00 0.00 C ATOM 880 CD LYS A 392 63.079 12.521 5.804 1.00 0.00 C ATOM 881 CE LYS A 392 61.646 12.983 5.995 1.00 0.00 C ATOM 882 NZ LYS A 392 61.053 12.472 7.247 1.00 0.00 N ATOM 0 H LYS A 392 66.904 9.624 5.666 1.00 0.00 H new ATOM 0 HA LYS A 392 65.478 11.783 7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 392 65.020 11.150 4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.614 9.525 5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.550 10.648 4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.811 10.546 6.616 1.00 0.00 H new ATOM 0 HD2 LYS A 392 63.686 12.869 6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 392 63.489 12.975 4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 392 61.616 14.073 6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 392 61.044 12.651 5.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 60.135 12.933 7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 60.916 11.444 7.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 61.690 12.679 8.043 1.00 0.00 H new ATOM 896 N THR A 393 64.782 8.563 7.545 1.00 0.00 N ATOM 897 CA THR A 393 64.224 7.589 8.448 1.00 0.00 C ATOM 898 C THR A 393 65.310 6.622 8.946 1.00 0.00 C ATOM 899 O THR A 393 65.360 5.442 8.616 1.00 0.00 O ATOM 900 CB THR A 393 63.120 6.800 7.795 1.00 0.00 C ATOM 901 OG1 THR A 393 62.207 7.713 7.170 1.00 0.00 O ATOM 902 CG2 THR A 393 62.378 5.929 8.813 1.00 0.00 C ATOM 0 H THR A 393 65.053 8.167 6.645 1.00 0.00 H new ATOM 0 HA THR A 393 63.809 8.137 9.294 1.00 0.00 H new ATOM 0 HB THR A 393 63.556 6.135 7.050 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.484 7.210 6.740 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.588 5.373 8.309 1.00 0.00 H new ATOM 0 HG22 THR A 393 63.077 5.230 9.272 1.00 0.00 H new ATOM 0 HG23 THR A 393 61.940 6.563 9.584 1.00 0.00 H new ATOM 910 N ARG A 394 66.235 7.232 9.512 1.00 0.00 N ATOM 911 CA ARG A 394 67.359 6.701 10.348 1.00 0.00 C ATOM 912 C ARG A 394 66.967 5.675 11.455 1.00 0.00 C ATOM 913 O ARG A 394 67.752 5.405 12.363 1.00 0.00 O ATOM 914 CB ARG A 394 68.174 7.888 10.914 1.00 0.00 C ATOM 915 CG ARG A 394 67.392 8.883 11.685 1.00 0.00 C ATOM 916 CD ARG A 394 68.231 10.093 12.048 1.00 0.00 C ATOM 917 NE ARG A 394 68.519 10.926 10.857 1.00 0.00 N ATOM 918 CZ ARG A 394 69.556 11.766 10.709 1.00 0.00 C ATOM 919 NH1 ARG A 394 70.496 11.846 11.640 1.00 0.00 N ATOM 920 NH2 ARG A 394 69.644 12.514 9.615 1.00 0.00 N ATOM 0 H ARG A 394 66.294 8.247 9.435 1.00 0.00 H new ATOM 0 HA ARG A 394 67.974 6.100 9.678 1.00 0.00 H new ATOM 0 HB2 ARG A 394 68.962 7.493 11.556 1.00 0.00 H new ATOM 0 HB3 ARG A 394 68.664 8.399 10.085 1.00 0.00 H new ATOM 0 HG2 ARG A 394 66.529 9.200 11.100 1.00 0.00 H new ATOM 0 HG3 ARG A 394 67.008 8.420 12.594 1.00 0.00 H new ATOM 0 HD2 ARG A 394 67.707 10.691 12.794 1.00 0.00 H new ATOM 0 HD3 ARG A 394 69.167 9.766 12.501 1.00 0.00 H new ATOM 0 HE ARG A 394 67.868 10.855 10.075 1.00 0.00 H new ATOM 0 HH11 ARG A 394 70.435 11.267 12.477 1.00 0.00 H new ATOM 0 HH12 ARG A 394 71.280 12.487 11.519 1.00 0.00 H new ATOM 0 HH21 ARG A 394 68.926 12.448 8.893 1.00 0.00 H new ATOM 0 HH22 ARG A 394 70.429 13.154 9.497 1.00 0.00 H new