USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=17 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 346 HIS : no HD1:sc= -0.406 K(o=0.19,f=-5.7) USER MOD Set 1.2: A 359 THR OG1 : rot 94:sc= 0.594 USER MOD Set 2.1: A 347 CYS SG : rot 177:sc= -1.25 USER MOD Set 2.2: A 358 CYS SG : rot -59:sc= 0.228 USER MOD Set 2.3: A 364 CYS SG : rot 132:sc= 1.12 USER MOD Set 2.4: A 367 HIS : no HE2:sc= -2.07 K(o=-2.8,f=-4.6!) USER MOD Set 2.5: A 371 GLN : amide:sc= -0.841 X(o=-2.8,f=-2.3) USER MOD Single : A 354 THR OG1 : rot 180:sc= -0.892 USER MOD Single : A 355 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0627) 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 -34:sc= 0.926 USER MOD Single : A 365 LYS NZ :NH3+ 171:sc=-0.00516 (180deg=-0.0967) USER MOD Single : A 366 THR OG1 : rot -160:sc= -0.14 USER MOD Single : A 368 SER OG : rot 102:sc= -1.39 USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 376 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 380 LYS NZ :NH3+ -119:sc= 2.14 (180deg=-0.806!) USER MOD Single : A 389 HIS : no HE2:sc= -4.95! C(o=-4.9!,f=-4!) USER MOD Single : A 390 LYS NZ :NH3+ -158:sc= -0.193 (180deg=-1.08) USER MOD Single : A 391 ASN : amide:sc= 1.22 K(o=1.2,f=-0.039) USER MOD Single : A 392 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N PHE A 341 54.462 1.919 -7.178 1.00 0.00 N ATOM 41 CA PHE A 341 55.831 1.432 -7.026 1.00 0.00 C ATOM 42 C PHE A 341 56.836 2.423 -7.558 1.00 0.00 C ATOM 43 O PHE A 341 56.842 2.792 -8.747 1.00 0.00 O ATOM 44 CB PHE A 341 56.064 0.119 -7.798 1.00 0.00 C ATOM 45 CG PHE A 341 57.509 -0.243 -7.828 1.00 0.00 C ATOM 46 CD1 PHE A 341 58.186 -0.448 -6.657 1.00 0.00 C ATOM 47 CD2 PHE A 341 58.190 -0.341 -9.022 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.498 -0.749 -6.656 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.519 -0.655 -9.036 1.00 0.00 C ATOM 50 CZ PHE A 341 60.179 -0.861 -7.851 1.00 0.00 C ATOM 0 HA PHE A 341 55.965 1.277 -5.955 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.495 -0.685 -7.332 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.692 0.223 -8.817 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.659 -0.367 -5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.669 -0.168 -9.952 1.00 0.00 H new ATOM 0 HE1 PHE A 341 60.017 -0.903 -5.721 1.00 0.00 H new ATOM 0 HE2 PHE A 341 60.047 -0.741 -9.974 1.00 0.00 H new ATOM 0 HZ PHE A 341 61.230 -1.110 -7.853 1.00 0.00 H new ATOM 60 N ASP A 342 57.675 2.821 -6.674 1.00 0.00 N ATOM 61 CA ASP A 342 58.681 3.792 -6.960 1.00 0.00 C ATOM 62 C ASP A 342 60.017 3.126 -6.823 1.00 0.00 C ATOM 63 O ASP A 342 60.480 2.945 -5.735 1.00 0.00 O ATOM 64 CB ASP A 342 58.644 5.010 -6.002 1.00 0.00 C ATOM 65 CG ASP A 342 57.385 5.841 -6.020 1.00 0.00 C ATOM 66 OD1 ASP A 342 57.149 6.554 -7.021 1.00 0.00 O ATOM 67 OD2 ASP A 342 56.654 5.872 -5.015 1.00 0.00 O ATOM 0 H ASP A 342 57.687 2.479 -5.713 1.00 0.00 H new ATOM 0 HA ASP A 342 58.501 4.167 -7.967 1.00 0.00 H new ATOM 0 HB2 ASP A 342 58.801 4.650 -4.985 1.00 0.00 H new ATOM 0 HB3 ASP A 342 59.485 5.660 -6.243 1.00 0.00 H new ATOM 72 N PRO A 343 60.647 2.706 -7.901 1.00 0.00 N ATOM 73 CA PRO A 343 61.920 1.996 -7.814 1.00 0.00 C ATOM 74 C PRO A 343 63.056 2.821 -7.246 1.00 0.00 C ATOM 75 O PRO A 343 63.902 2.293 -6.540 1.00 0.00 O ATOM 76 CB PRO A 343 62.210 1.571 -9.226 1.00 0.00 C ATOM 77 CG PRO A 343 61.402 2.473 -10.083 1.00 0.00 C ATOM 78 CD PRO A 343 60.181 2.825 -9.284 1.00 0.00 C ATOM 0 HA PRO A 343 61.840 1.161 -7.118 1.00 0.00 H new ATOM 0 HB2 PRO A 343 63.272 1.661 -9.453 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.937 0.528 -9.386 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.966 3.368 -10.347 1.00 0.00 H new ATOM 0 HG3 PRO A 343 61.128 1.981 -11.017 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.830 3.833 -9.506 1.00 0.00 H new ATOM 0 HD3 PRO A 343 59.354 2.146 -9.491 1.00 0.00 H new ATOM 86 N ASP A 344 63.060 4.101 -7.536 1.00 0.00 N ATOM 87 CA ASP A 344 64.080 5.005 -7.012 1.00 0.00 C ATOM 88 C ASP A 344 64.007 5.107 -5.514 1.00 0.00 C ATOM 89 O ASP A 344 65.005 5.229 -4.846 1.00 0.00 O ATOM 90 CB ASP A 344 63.916 6.408 -7.607 1.00 0.00 C ATOM 91 CG ASP A 344 64.728 7.489 -6.881 1.00 0.00 C ATOM 92 OD1 ASP A 344 65.981 7.367 -6.772 1.00 0.00 O ATOM 93 OD2 ASP A 344 64.140 8.501 -6.458 1.00 0.00 O ATOM 0 H ASP A 344 62.367 4.550 -8.135 1.00 0.00 H new ATOM 0 HA ASP A 344 65.048 4.592 -7.295 1.00 0.00 H new ATOM 0 HB2 ASP A 344 64.215 6.385 -8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 344 62.861 6.682 -7.582 1.00 0.00 H new ATOM 98 N ILE A 345 62.831 4.974 -4.998 1.00 0.00 N ATOM 99 CA ILE A 345 62.619 5.313 -3.598 1.00 0.00 C ATOM 100 C ILE A 345 62.226 4.104 -2.770 1.00 0.00 C ATOM 101 O ILE A 345 62.222 4.148 -1.531 1.00 0.00 O ATOM 102 CB ILE A 345 61.544 6.447 -3.447 1.00 0.00 C ATOM 103 CG1 ILE A 345 60.206 5.918 -2.939 1.00 0.00 C ATOM 104 CG2 ILE A 345 61.362 7.215 -4.754 1.00 0.00 C ATOM 105 CD1 ILE A 345 59.122 6.948 -2.829 1.00 0.00 C ATOM 0 H ILE A 345 62.006 4.641 -5.498 1.00 0.00 H new ATOM 0 HA ILE A 345 63.572 5.680 -3.216 1.00 0.00 H new ATOM 0 HB ILE A 345 61.923 7.136 -2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 345 59.868 5.125 -3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 345 60.359 5.466 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.611 7.993 -4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 345 62.309 7.671 -5.043 1.00 0.00 H new ATOM 0 HG23 ILE A 345 61.036 6.530 -5.536 1.00 0.00 H new ATOM 0 HD11 ILE A 345 58.210 6.478 -2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 345 59.433 7.731 -2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 345 58.934 7.385 -3.810 1.00 0.00 H new ATOM 117 N HIS A 346 61.868 3.053 -3.432 1.00 0.00 N ATOM 118 CA HIS A 346 61.408 1.886 -2.771 1.00 0.00 C ATOM 119 C HIS A 346 62.231 0.655 -3.041 1.00 0.00 C ATOM 120 O HIS A 346 63.179 0.661 -3.807 1.00 0.00 O ATOM 121 CB HIS A 346 59.924 1.649 -3.009 1.00 0.00 C ATOM 122 CG HIS A 346 59.051 2.562 -2.210 1.00 0.00 C ATOM 123 ND1 HIS A 346 58.129 3.389 -2.796 1.00 0.00 N ATOM 124 CD2 HIS A 346 58.992 2.716 -0.873 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.533 4.028 -1.786 1.00 0.00 C ATOM 126 NE2 HIS A 346 58.027 3.646 -0.618 1.00 0.00 N ATOM 0 H HIS A 346 61.888 2.984 -4.449 1.00 0.00 H new ATOM 0 HA HIS A 346 61.546 2.085 -1.708 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.706 1.782 -4.069 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.682 0.615 -2.761 1.00 0.00 H new ATOM 0 HD2 HIS A 346 59.595 2.200 -0.141 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.749 4.761 -1.906 1.00 0.00 H new ATOM 0 HE2 HIS A 346 57.740 3.984 0.300 1.00 0.00 H new ATOM 134 N CYS A 347 61.836 -0.399 -2.375 1.00 0.00 N ATOM 135 CA CYS A 347 62.548 -1.661 -2.322 1.00 0.00 C ATOM 136 C CYS A 347 62.746 -2.311 -3.697 1.00 0.00 C ATOM 137 O CYS A 347 63.793 -2.871 -3.941 1.00 0.00 O ATOM 138 CB CYS A 347 61.805 -2.572 -1.314 1.00 0.00 C ATOM 139 SG CYS A 347 62.502 -4.239 -0.932 1.00 0.00 S ATOM 0 H CYS A 347 60.974 -0.407 -1.830 1.00 0.00 H new ATOM 0 HA CYS A 347 63.569 -1.489 -1.980 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.724 -2.026 -0.374 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.791 -2.717 -1.687 1.00 0.00 H new ATOM 0 HG CYS A 347 61.769 -4.819 -0.029 1.00 0.00 H new ATOM 144 N GLY A 348 61.730 -2.320 -4.529 1.00 0.00 N ATOM 145 CA GLY A 348 61.902 -2.832 -5.895 1.00 0.00 C ATOM 146 C GLY A 348 62.118 -4.323 -6.014 1.00 0.00 C ATOM 147 O GLY A 348 62.244 -4.832 -7.107 1.00 0.00 O ATOM 0 H GLY A 348 60.791 -1.990 -4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 348 61.021 -2.564 -6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.752 -2.323 -6.350 1.00 0.00 H new ATOM 151 N VAL A 349 62.111 -5.025 -4.907 1.00 0.00 N ATOM 152 CA VAL A 349 62.336 -6.457 -4.949 1.00 0.00 C ATOM 153 C VAL A 349 61.030 -7.023 -5.113 1.00 0.00 C ATOM 154 O VAL A 349 60.155 -6.774 -4.279 1.00 0.00 O ATOM 155 CB VAL A 349 62.959 -7.057 -3.652 1.00 0.00 C ATOM 156 CG1 VAL A 349 63.334 -8.520 -3.851 1.00 0.00 C ATOM 157 CG2 VAL A 349 64.146 -6.274 -3.149 1.00 0.00 C ATOM 0 H VAL A 349 61.955 -4.639 -3.976 1.00 0.00 H new ATOM 0 HA VAL A 349 63.047 -6.678 -5.745 1.00 0.00 H new ATOM 0 HB VAL A 349 62.187 -6.988 -2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.766 -8.913 -2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 349 62.442 -9.093 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 349 64.062 -8.602 -4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.534 -6.742 -2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 349 64.923 -6.261 -3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.840 -5.252 -2.926 1.00 0.00 H new ATOM 167 N ILE A 350 60.854 -7.697 -6.166 1.00 0.00 N ATOM 168 CA ILE A 350 59.621 -8.274 -6.423 1.00 0.00 C ATOM 169 C ILE A 350 59.320 -9.329 -5.397 1.00 0.00 C ATOM 170 O ILE A 350 60.103 -10.259 -5.156 1.00 0.00 O ATOM 171 CB ILE A 350 59.465 -8.703 -7.872 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.455 -7.396 -8.699 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.213 -9.538 -8.042 1.00 0.00 C ATOM 174 CD1 ILE A 350 58.957 -7.484 -10.108 1.00 0.00 C ATOM 0 H ILE A 350 61.567 -7.863 -6.876 1.00 0.00 H new ATOM 0 HA ILE A 350 58.842 -7.520 -6.310 1.00 0.00 H new ATOM 0 HB ILE A 350 60.278 -9.344 -8.213 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.844 -6.665 -8.169 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.472 -7.003 -8.723 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.115 -9.838 -9.085 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.280 -10.426 -7.414 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.342 -8.952 -7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 350 59.003 -6.499 -10.573 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.579 -8.180 -10.671 1.00 0.00 H new ATOM 0 HD13 ILE A 350 57.926 -7.837 -10.108 1.00 0.00 H new ATOM 186 N ASP A 351 58.219 -9.119 -4.765 1.00 0.00 N ATOM 187 CA ASP A 351 57.841 -9.814 -3.587 1.00 0.00 C ATOM 188 C ASP A 351 57.284 -11.128 -3.964 1.00 0.00 C ATOM 189 O ASP A 351 56.496 -11.211 -4.846 1.00 0.00 O ATOM 190 CB ASP A 351 56.797 -8.968 -2.906 1.00 0.00 C ATOM 191 CG ASP A 351 56.519 -9.331 -1.496 1.00 0.00 C ATOM 192 OD1 ASP A 351 57.288 -8.907 -0.596 1.00 0.00 O ATOM 193 OD2 ASP A 351 55.479 -9.959 -1.254 1.00 0.00 O ATOM 0 H ASP A 351 57.530 -8.430 -5.068 1.00 0.00 H new ATOM 0 HA ASP A 351 58.687 -9.984 -2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 351 57.116 -7.926 -2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 351 55.869 -9.037 -3.473 1.00 0.00 H new ATOM 198 N LEU A 352 57.742 -12.148 -3.356 1.00 0.00 N ATOM 199 CA LEU A 352 57.259 -13.464 -3.638 1.00 0.00 C ATOM 200 C LEU A 352 55.933 -13.773 -2.958 1.00 0.00 C ATOM 201 O LEU A 352 55.259 -14.743 -3.314 1.00 0.00 O ATOM 202 CB LEU A 352 58.345 -14.454 -3.326 1.00 0.00 C ATOM 203 CG LEU A 352 59.288 -14.831 -4.473 1.00 0.00 C ATOM 204 CD1 LEU A 352 58.620 -15.828 -5.386 1.00 0.00 C ATOM 205 CD2 LEU A 352 59.704 -13.621 -5.301 1.00 0.00 C ATOM 0 H LEU A 352 58.468 -12.108 -2.641 1.00 0.00 H new ATOM 0 HA LEU A 352 57.023 -13.537 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 352 58.946 -14.053 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 352 57.877 -15.367 -2.958 1.00 0.00 H new ATOM 0 HG LEU A 352 60.180 -15.261 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 352 59.299 -16.089 -6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 352 58.367 -16.725 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 352 57.711 -15.391 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 352 60.372 -13.940 -6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 352 58.819 -13.153 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.219 -12.903 -4.663 1.00 0.00 H new ATOM 217 N ASP A 353 55.550 -12.948 -1.998 1.00 0.00 N ATOM 218 CA ASP A 353 54.266 -13.097 -1.352 1.00 0.00 C ATOM 219 C ASP A 353 53.201 -12.458 -2.200 1.00 0.00 C ATOM 220 O ASP A 353 52.185 -13.072 -2.514 1.00 0.00 O ATOM 221 CB ASP A 353 54.249 -12.462 0.046 1.00 0.00 C ATOM 222 CG ASP A 353 54.784 -13.339 1.143 1.00 0.00 C ATOM 223 OD1 ASP A 353 55.995 -13.309 1.425 1.00 0.00 O ATOM 224 OD2 ASP A 353 53.976 -14.063 1.782 1.00 0.00 O ATOM 0 H ASP A 353 56.112 -12.170 -1.652 1.00 0.00 H new ATOM 0 HA ASP A 353 54.074 -14.164 -1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 353 54.832 -11.542 0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 353 53.224 -12.183 0.290 1.00 0.00 H new ATOM 229 N THR A 354 53.441 -11.229 -2.580 1.00 0.00 N ATOM 230 CA THR A 354 52.480 -10.481 -3.360 1.00 0.00 C ATOM 231 C THR A 354 52.714 -10.567 -4.878 1.00 0.00 C ATOM 232 O THR A 354 51.780 -10.435 -5.664 1.00 0.00 O ATOM 233 CB THR A 354 52.399 -9.025 -2.878 1.00 0.00 C ATOM 234 OG1 THR A 354 53.716 -8.450 -2.822 1.00 0.00 O ATOM 235 CG2 THR A 354 51.776 -8.952 -1.498 1.00 0.00 C ATOM 0 H THR A 354 54.298 -10.720 -2.362 1.00 0.00 H new ATOM 0 HA THR A 354 51.513 -10.955 -3.191 1.00 0.00 H new ATOM 0 HB THR A 354 51.780 -8.470 -3.583 1.00 0.00 H new ATOM 0 HG1 THR A 354 53.655 -7.521 -2.515 1.00 0.00 H new ATOM 0 HG21 THR A 354 51.728 -7.912 -1.175 1.00 0.00 H new ATOM 0 HG22 THR A 354 50.769 -9.369 -1.531 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.382 -9.523 -0.794 1.00 0.00 H new ATOM 243 N LYS A 355 53.958 -10.785 -5.272 1.00 0.00 N ATOM 244 CA LYS A 355 54.365 -10.932 -6.686 1.00 0.00 C ATOM 245 C LYS A 355 54.180 -9.701 -7.474 1.00 0.00 C ATOM 246 O LYS A 355 53.583 -9.665 -8.555 1.00 0.00 O ATOM 247 CB LYS A 355 53.851 -12.182 -7.351 1.00 0.00 C ATOM 248 CG LYS A 355 54.626 -13.421 -6.943 1.00 0.00 C ATOM 249 CD LYS A 355 56.060 -13.441 -7.501 1.00 0.00 C ATOM 250 CE LYS A 355 56.104 -13.458 -9.036 1.00 0.00 C ATOM 251 NZ LYS A 355 55.413 -14.633 -9.612 1.00 0.00 N ATOM 0 H LYS A 355 54.736 -10.868 -4.618 1.00 0.00 H new ATOM 0 HA LYS A 355 55.444 -11.085 -6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 355 52.799 -12.317 -7.099 1.00 0.00 H new ATOM 0 HB3 LYS A 355 53.907 -12.063 -8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 355 54.664 -13.478 -5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 355 54.094 -14.307 -7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 355 56.598 -12.566 -7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 355 56.581 -14.318 -7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 355 55.644 -12.547 -9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 355 57.143 -13.454 -9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 55.573 -14.660 -10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 55.787 -15.502 -9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 54.393 -14.564 -9.422 1.00 0.00 H new ATOM 265 N LYS A 356 54.693 -8.708 -6.902 1.00 0.00 N ATOM 266 CA LYS A 356 54.698 -7.394 -7.400 1.00 0.00 C ATOM 267 C LYS A 356 55.879 -6.739 -6.797 1.00 0.00 C ATOM 268 O LYS A 356 56.503 -7.345 -5.911 1.00 0.00 O ATOM 269 CB LYS A 356 53.405 -6.766 -6.982 1.00 0.00 C ATOM 270 CG LYS A 356 53.220 -6.510 -5.513 1.00 0.00 C ATOM 271 CD LYS A 356 51.804 -6.100 -5.297 1.00 0.00 C ATOM 272 CE LYS A 356 51.490 -5.722 -3.866 1.00 0.00 C ATOM 273 NZ LYS A 356 50.046 -5.453 -3.725 1.00 0.00 N ATOM 0 H LYS A 356 55.161 -8.787 -5.999 1.00 0.00 H new ATOM 0 HA LYS A 356 54.770 -7.318 -8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.303 -5.817 -7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.591 -7.407 -7.320 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.450 -7.406 -4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 356 53.900 -5.729 -5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 356 51.578 -5.253 -5.945 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.149 -6.917 -5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 356 51.786 -6.527 -3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 356 52.063 -4.840 -3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 49.836 -5.194 -2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 49.776 -4.670 -4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 49.508 -6.305 -3.981 1.00 0.00 H new ATOM 287 N PRO A 357 56.263 -5.544 -7.223 1.00 0.00 N ATOM 288 CA PRO A 357 57.403 -4.929 -6.670 1.00 0.00 C ATOM 289 C PRO A 357 57.176 -4.501 -5.275 1.00 0.00 C ATOM 290 O PRO A 357 56.082 -4.649 -4.703 1.00 0.00 O ATOM 291 CB PRO A 357 57.708 -3.764 -7.522 1.00 0.00 C ATOM 292 CG PRO A 357 56.542 -3.526 -8.403 1.00 0.00 C ATOM 293 CD PRO A 357 55.600 -4.703 -8.231 1.00 0.00 C ATOM 0 HA PRO A 357 58.233 -5.635 -6.642 1.00 0.00 H new ATOM 0 HB2 PRO A 357 57.909 -2.885 -6.909 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.603 -3.950 -8.116 1.00 0.00 H new ATOM 0 HG2 PRO A 357 56.044 -2.593 -8.138 1.00 0.00 H new ATOM 0 HG3 PRO A 357 56.858 -3.435 -9.442 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.614 -4.380 -7.896 1.00 0.00 H new ATOM 0 HD3 PRO A 357 55.457 -5.241 -9.168 1.00 0.00 H new ATOM 301 N CYS A 358 58.149 -3.915 -4.717 1.00 0.00 N ATOM 302 CA CYS A 358 58.095 -3.750 -3.407 1.00 0.00 C ATOM 303 C CYS A 358 58.212 -2.354 -3.021 1.00 0.00 C ATOM 304 O CYS A 358 59.311 -1.816 -2.903 1.00 0.00 O ATOM 305 CB CYS A 358 59.116 -4.549 -2.810 1.00 0.00 C ATOM 306 SG CYS A 358 58.883 -4.696 -1.091 1.00 0.00 S ATOM 0 H CYS A 358 58.980 -3.554 -5.185 1.00 0.00 H new ATOM 0 HA CYS A 358 57.118 -4.072 -3.048 1.00 0.00 H new ATOM 0 HB2 CYS A 358 59.117 -5.540 -3.265 1.00 0.00 H new ATOM 0 HB3 CYS A 358 60.091 -4.105 -3.010 1.00 0.00 H new ATOM 0 HG CYS A 358 58.893 -3.514 -0.549 1.00 0.00 H new ATOM 311 N THR A 359 57.118 -1.765 -2.853 1.00 0.00 N ATOM 312 CA THR A 359 57.066 -0.428 -2.417 1.00 0.00 C ATOM 313 C THR A 359 56.596 -0.384 -0.964 1.00 0.00 C ATOM 314 O THR A 359 55.496 0.017 -0.643 1.00 0.00 O ATOM 315 CB THR A 359 56.265 0.491 -3.434 1.00 0.00 C ATOM 316 OG1 THR A 359 55.960 1.793 -2.946 1.00 0.00 O ATOM 317 CG2 THR A 359 55.003 -0.188 -3.905 1.00 0.00 C ATOM 0 H THR A 359 56.207 -2.194 -3.014 1.00 0.00 H new ATOM 0 HA THR A 359 58.063 0.012 -2.418 1.00 0.00 H new ATOM 0 HB THR A 359 56.947 0.634 -4.272 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.658 2.420 -3.228 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.476 0.466 -4.600 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.258 -1.122 -4.407 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.362 -0.399 -3.049 1.00 0.00 H new ATOM 325 N ARG A 360 57.415 -1.012 -0.122 1.00 0.00 N ATOM 326 CA ARG A 360 57.248 -0.955 1.313 1.00 0.00 C ATOM 327 C ARG A 360 58.037 0.185 1.856 1.00 0.00 C ATOM 328 O ARG A 360 57.509 1.212 2.235 1.00 0.00 O ATOM 329 CB ARG A 360 57.729 -2.240 1.959 1.00 0.00 C ATOM 330 CG ARG A 360 56.749 -3.361 1.825 1.00 0.00 C ATOM 331 CD ARG A 360 56.832 -4.255 3.005 1.00 0.00 C ATOM 332 NE ARG A 360 55.957 -5.416 2.896 1.00 0.00 N ATOM 333 CZ ARG A 360 55.545 -6.167 3.934 1.00 0.00 C ATOM 334 NH1 ARG A 360 55.800 -5.790 5.183 1.00 0.00 N ATOM 335 NH2 ARG A 360 54.850 -7.263 3.717 1.00 0.00 N ATOM 0 H ARG A 360 58.211 -1.573 -0.425 1.00 0.00 H new ATOM 0 HA ARG A 360 56.189 -0.822 1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.676 -2.536 1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 360 57.924 -2.059 3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 360 55.739 -2.962 1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 360 56.954 -3.926 0.916 1.00 0.00 H new ATOM 0 HD2 ARG A 360 57.861 -4.592 3.129 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.571 -3.692 3.901 1.00 0.00 H new ATOM 0 HE ARG A 360 55.633 -5.678 1.965 1.00 0.00 H new ATOM 0 HH11 ARG A 360 56.312 -4.926 5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 360 55.484 -6.365 5.964 1.00 0.00 H new ATOM 0 HH21 ARG A 360 54.624 -7.543 2.763 1.00 0.00 H new ATOM 0 HH22 ARG A 360 54.537 -7.833 4.503 1.00 0.00 H new ATOM 349 N SER A 361 59.307 -0.020 1.831 1.00 0.00 N ATOM 350 CA SER A 361 60.285 0.887 2.252 1.00 0.00 C ATOM 351 C SER A 361 61.570 0.303 1.787 1.00 0.00 C ATOM 352 O SER A 361 61.584 -0.829 1.209 1.00 0.00 O ATOM 353 CB SER A 361 60.300 0.998 3.777 1.00 0.00 C ATOM 354 OG SER A 361 60.436 -0.289 4.366 1.00 0.00 O ATOM 0 H SER A 361 59.706 -0.894 1.488 1.00 0.00 H new ATOM 0 HA SER A 361 60.104 1.886 1.856 1.00 0.00 H new ATOM 0 HB2 SER A 361 61.123 1.639 4.093 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.379 1.468 4.123 1.00 0.00 H new ATOM 0 HG SER A 361 60.446 -0.203 5.342 1.00 0.00 H new ATOM 360 N LEU A 362 62.609 0.985 2.037 1.00 0.00 N ATOM 361 CA LEU A 362 63.920 0.572 1.698 1.00 0.00 C ATOM 362 C LEU A 362 64.437 -0.373 2.732 1.00 0.00 C ATOM 363 O LEU A 362 65.285 -1.208 2.474 1.00 0.00 O ATOM 364 CB LEU A 362 64.721 1.815 1.602 1.00 0.00 C ATOM 365 CG LEU A 362 64.211 2.707 0.501 1.00 0.00 C ATOM 366 CD1 LEU A 362 64.826 4.073 0.527 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.378 2.014 -0.828 1.00 0.00 C ATOM 0 H LEU A 362 62.578 1.891 2.505 1.00 0.00 H new ATOM 0 HA LEU A 362 63.963 0.030 0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.685 2.348 2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.765 1.564 1.416 1.00 0.00 H new ATOM 0 HG LEU A 362 63.147 2.880 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 362 64.420 4.670 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 362 64.600 4.556 1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 362 65.907 3.988 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 362 64.009 2.660 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 362 65.433 1.798 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 362 63.813 1.082 -0.826 1.00 0.00 H new ATOM 379 N THR A 363 63.809 -0.324 3.846 1.00 0.00 N ATOM 380 CA THR A 363 64.158 -1.141 4.958 1.00 0.00 C ATOM 381 C THR A 363 63.055 -2.173 5.144 1.00 0.00 C ATOM 382 O THR A 363 62.783 -2.661 6.247 1.00 0.00 O ATOM 383 CB THR A 363 64.452 -0.272 6.217 1.00 0.00 C ATOM 384 OG1 THR A 363 64.618 -1.054 7.395 1.00 0.00 O ATOM 385 CG2 THR A 363 63.418 0.800 6.424 1.00 0.00 C ATOM 0 H THR A 363 63.019 0.298 4.020 1.00 0.00 H new ATOM 0 HA THR A 363 65.088 -1.681 4.780 1.00 0.00 H new ATOM 0 HB THR A 363 65.404 0.222 6.020 1.00 0.00 H new ATOM 0 HG1 THR A 363 64.034 -1.840 7.351 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.667 1.379 7.314 1.00 0.00 H new ATOM 0 HG22 THR A 363 63.398 1.459 5.556 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.438 0.340 6.553 1.00 0.00 H new ATOM 393 N CYS A 364 62.473 -2.510 3.981 1.00 0.00 N ATOM 394 CA CYS A 364 61.472 -3.527 3.788 1.00 0.00 C ATOM 395 C CYS A 364 61.722 -4.740 4.697 1.00 0.00 C ATOM 396 O CYS A 364 62.787 -5.360 4.625 1.00 0.00 O ATOM 397 CB CYS A 364 61.602 -3.978 2.379 1.00 0.00 C ATOM 398 SG CYS A 364 60.700 -5.460 2.018 1.00 0.00 S ATOM 0 H CYS A 364 62.716 -2.041 3.109 1.00 0.00 H new ATOM 0 HA CYS A 364 60.486 -3.124 4.020 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.256 -3.183 1.719 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.656 -4.141 2.155 1.00 0.00 H new ATOM 0 HG CYS A 364 60.014 -5.295 0.926 1.00 0.00 H new ATOM 403 N LYS A 365 60.732 -5.099 5.467 1.00 0.00 N ATOM 404 CA LYS A 365 60.824 -6.082 6.507 1.00 0.00 C ATOM 405 C LYS A 365 60.637 -7.507 5.968 1.00 0.00 C ATOM 406 O LYS A 365 60.842 -8.482 6.669 1.00 0.00 O ATOM 407 CB LYS A 365 59.737 -5.723 7.517 1.00 0.00 C ATOM 408 CG LYS A 365 59.770 -6.469 8.813 1.00 0.00 C ATOM 409 CD LYS A 365 58.667 -5.992 9.762 1.00 0.00 C ATOM 410 CE LYS A 365 57.262 -6.244 9.201 1.00 0.00 C ATOM 411 NZ LYS A 365 56.990 -7.686 9.014 1.00 0.00 N ATOM 0 H LYS A 365 59.799 -4.696 5.382 1.00 0.00 H new ATOM 0 HA LYS A 365 61.814 -6.074 6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 365 59.808 -4.657 7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 365 58.766 -5.890 7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 365 59.652 -7.536 8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 365 60.742 -6.335 9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 365 58.770 -6.503 10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 365 58.793 -4.926 9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 365 56.520 -5.820 9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 365 57.155 -5.728 8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 55.986 -7.822 8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 57.579 -8.053 8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 57.214 -8.198 9.891 1.00 0.00 H new ATOM 425 N THR A 366 60.296 -7.606 4.730 1.00 0.00 N ATOM 426 CA THR A 366 60.018 -8.877 4.129 1.00 0.00 C ATOM 427 C THR A 366 61.272 -9.441 3.485 1.00 0.00 C ATOM 428 O THR A 366 61.525 -10.649 3.466 1.00 0.00 O ATOM 429 CB THR A 366 59.035 -8.640 3.023 1.00 0.00 C ATOM 430 OG1 THR A 366 57.910 -7.949 3.521 1.00 0.00 O ATOM 431 CG2 THR A 366 58.641 -9.911 2.286 1.00 0.00 C ATOM 0 H THR A 366 60.200 -6.810 4.099 1.00 0.00 H new ATOM 0 HA THR A 366 59.646 -9.565 4.888 1.00 0.00 H new ATOM 0 HB THR A 366 59.528 -8.019 2.276 1.00 0.00 H new ATOM 0 HG1 THR A 366 57.154 -8.071 2.909 1.00 0.00 H new ATOM 0 HG21 THR A 366 57.928 -9.669 1.498 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.528 -10.366 1.845 1.00 0.00 H new ATOM 0 HG23 THR A 366 58.185 -10.611 2.986 1.00 0.00 H new ATOM 439 N HIS A 367 62.049 -8.541 2.987 1.00 0.00 N ATOM 440 CA HIS A 367 63.162 -8.859 2.166 1.00 0.00 C ATOM 441 C HIS A 367 64.398 -8.511 2.886 1.00 0.00 C ATOM 442 O HIS A 367 64.470 -7.439 3.470 1.00 0.00 O ATOM 443 CB HIS A 367 63.066 -8.069 0.835 1.00 0.00 C ATOM 444 CG HIS A 367 61.967 -8.526 -0.107 1.00 0.00 C ATOM 445 ND1 HIS A 367 61.196 -7.626 -0.834 1.00 0.00 N ATOM 446 CD2 HIS A 367 61.611 -9.780 -0.438 1.00 0.00 C ATOM 447 CE1 HIS A 367 60.408 -8.390 -1.586 1.00 0.00 C ATOM 448 NE2 HIS A 367 60.631 -9.687 -1.370 1.00 0.00 N ATOM 0 H HIS A 367 61.923 -7.541 3.144 1.00 0.00 H new ATOM 0 HA HIS A 367 63.169 -9.924 1.936 1.00 0.00 H new ATOM 0 HB2 HIS A 367 62.910 -7.015 1.066 1.00 0.00 H new ATOM 0 HB3 HIS A 367 64.022 -8.143 0.317 1.00 0.00 H new ATOM 0 HD1 HIS A 367 61.227 -6.607 -0.799 1.00 0.00 H new ATOM 0 HD2 HIS A 367 62.028 -10.691 -0.036 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.678 -8.007 -2.284 1.00 0.00 H new ATOM 456 N SER A 368 65.352 -9.384 2.850 1.00 0.00 N ATOM 457 CA SER A 368 66.579 -9.160 3.509 1.00 0.00 C ATOM 458 C SER A 368 67.454 -8.204 2.775 1.00 0.00 C ATOM 459 O SER A 368 67.291 -8.004 1.568 1.00 0.00 O ATOM 460 CB SER A 368 67.258 -10.456 3.831 1.00 0.00 C ATOM 461 OG SER A 368 67.338 -11.289 2.707 1.00 0.00 O ATOM 0 H SER A 368 65.293 -10.275 2.357 1.00 0.00 H new ATOM 0 HA SER A 368 66.361 -8.673 4.459 1.00 0.00 H new ATOM 0 HB2 SER A 368 68.261 -10.258 4.210 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.712 -10.966 4.625 1.00 0.00 H new ATOM 0 HG SER A 368 68.244 -11.251 2.335 1.00 0.00 H new ATOM 467 N LEU A 369 68.362 -7.605 3.516 1.00 0.00 N ATOM 468 CA LEU A 369 69.278 -6.590 3.058 1.00 0.00 C ATOM 469 C LEU A 369 69.938 -6.954 1.760 1.00 0.00 C ATOM 470 O LEU A 369 69.981 -6.131 0.827 1.00 0.00 O ATOM 471 CB LEU A 369 70.292 -6.306 4.185 1.00 0.00 C ATOM 472 CG LEU A 369 71.473 -5.338 3.931 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.606 -6.038 3.205 1.00 0.00 C ATOM 474 CD2 LEU A 369 71.019 -4.141 3.119 1.00 0.00 C ATOM 0 H LEU A 369 68.485 -7.827 4.504 1.00 0.00 H new ATOM 0 HA LEU A 369 68.725 -5.677 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 369 69.732 -5.919 5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 369 70.716 -7.263 4.490 1.00 0.00 H new ATOM 0 HG LEU A 369 71.833 -4.998 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.422 -5.334 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 369 72.963 -6.873 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.248 -6.410 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 369 71.864 -3.473 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 369 70.628 -4.479 2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.238 -3.609 3.661 1.00 0.00 H new ATOM 486 N THR A 370 70.371 -8.171 1.665 1.00 0.00 N ATOM 487 CA THR A 370 71.093 -8.605 0.499 1.00 0.00 C ATOM 488 C THR A 370 70.196 -8.568 -0.734 1.00 0.00 C ATOM 489 O THR A 370 70.635 -8.250 -1.823 1.00 0.00 O ATOM 490 CB THR A 370 71.676 -10.000 0.693 1.00 0.00 C ATOM 491 OG1 THR A 370 72.421 -10.020 1.926 1.00 0.00 O ATOM 492 CG2 THR A 370 72.607 -10.319 -0.453 1.00 0.00 C ATOM 0 H THR A 370 70.240 -8.887 2.379 1.00 0.00 H new ATOM 0 HA THR A 370 71.922 -7.914 0.347 1.00 0.00 H new ATOM 0 HB THR A 370 70.874 -10.737 0.725 1.00 0.00 H new ATOM 0 HG1 THR A 370 72.801 -10.913 2.064 1.00 0.00 H new ATOM 0 HG21 THR A 370 73.025 -11.316 -0.316 1.00 0.00 H new ATOM 0 HG22 THR A 370 72.054 -10.283 -1.392 1.00 0.00 H new ATOM 0 HG23 THR A 370 73.415 -9.588 -0.480 1.00 0.00 H new ATOM 500 N GLN A 371 68.925 -8.775 -0.513 1.00 0.00 N ATOM 501 CA GLN A 371 67.968 -8.869 -1.592 1.00 0.00 C ATOM 502 C GLN A 371 67.656 -7.494 -2.107 1.00 0.00 C ATOM 503 O GLN A 371 67.368 -7.310 -3.284 1.00 0.00 O ATOM 504 CB GLN A 371 66.694 -9.527 -1.124 1.00 0.00 C ATOM 505 CG GLN A 371 66.937 -10.690 -0.201 1.00 0.00 C ATOM 506 CD GLN A 371 65.753 -11.589 -0.062 1.00 0.00 C ATOM 507 OE1 GLN A 371 65.889 -12.794 0.134 1.00 0.00 O ATOM 508 NE2 GLN A 371 64.593 -11.014 -0.120 1.00 0.00 N ATOM 0 H GLN A 371 68.521 -8.884 0.417 1.00 0.00 H new ATOM 0 HA GLN A 371 68.403 -9.476 -2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 371 66.076 -8.788 -0.613 1.00 0.00 H new ATOM 0 HB3 GLN A 371 66.129 -9.870 -1.991 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.783 -11.269 -0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 371 67.216 -10.312 0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 371 64.529 -10.009 -0.285 1.00 0.00 H new ATOM 0 HE22 GLN A 371 63.744 -11.566 -0.001 1.00 0.00 H new ATOM 517 N ARG A 372 67.713 -6.510 -1.220 1.00 0.00 N ATOM 518 CA ARG A 372 67.493 -5.164 -1.659 1.00 0.00 C ATOM 519 C ARG A 372 68.695 -4.712 -2.464 1.00 0.00 C ATOM 520 O ARG A 372 68.543 -4.044 -3.477 1.00 0.00 O ATOM 521 CB ARG A 372 67.246 -4.149 -0.548 1.00 0.00 C ATOM 522 CG ARG A 372 66.013 -4.309 0.326 1.00 0.00 C ATOM 523 CD ARG A 372 66.229 -5.336 1.386 1.00 0.00 C ATOM 524 NE ARG A 372 65.557 -5.028 2.626 1.00 0.00 N ATOM 525 CZ ARG A 372 66.128 -4.537 3.744 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.302 -3.918 3.690 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.475 -4.618 4.896 1.00 0.00 N ATOM 0 H ARG A 372 67.904 -6.624 -0.225 1.00 0.00 H new ATOM 0 HA ARG A 372 66.576 -5.192 -2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 372 68.118 -4.156 0.106 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.200 -3.161 -1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 372 65.766 -3.353 0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.161 -4.594 -0.292 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.880 -6.302 1.022 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.298 -5.434 1.575 1.00 0.00 H new ATOM 0 HE ARG A 372 64.552 -5.199 2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 372 67.781 -3.810 2.796 1.00 0.00 H new ATOM 0 HH12 ARG A 372 67.724 -3.550 4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.551 -5.048 4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 372 65.897 -4.250 5.748 1.00 0.00 H new ATOM 541 N ARG A 373 69.906 -5.095 -1.995 1.00 0.00 N ATOM 542 CA ARG A 373 71.144 -4.789 -2.716 1.00 0.00 C ATOM 543 C ARG A 373 71.148 -5.478 -4.072 1.00 0.00 C ATOM 544 O ARG A 373 71.614 -4.921 -5.065 1.00 0.00 O ATOM 545 CB ARG A 373 72.372 -5.243 -1.918 1.00 0.00 C ATOM 546 CG ARG A 373 72.717 -4.388 -0.717 1.00 0.00 C ATOM 547 CD ARG A 373 73.956 -4.924 -0.024 1.00 0.00 C ATOM 548 NE ARG A 373 74.492 -3.999 0.981 1.00 0.00 N ATOM 549 CZ ARG A 373 75.416 -4.299 1.903 1.00 0.00 C ATOM 550 NH1 ARG A 373 75.840 -5.546 2.072 1.00 0.00 N ATOM 551 NH2 ARG A 373 75.886 -3.339 2.659 1.00 0.00 N ATOM 0 H ARG A 373 70.042 -5.612 -1.126 1.00 0.00 H new ATOM 0 HA ARG A 373 71.191 -3.709 -2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.207 -6.266 -1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.232 -5.264 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 373 72.886 -3.358 -1.032 1.00 0.00 H new ATOM 0 HG3 ARG A 373 71.880 -4.375 -0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.717 -5.874 0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 373 74.724 -5.127 -0.770 1.00 0.00 H new ATOM 0 HE ARG A 373 74.130 -3.045 0.977 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.461 -6.296 1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 373 76.545 -5.754 2.780 1.00 0.00 H new ATOM 0 HH21 ARG A 373 75.548 -2.384 2.540 1.00 0.00 H new ATOM 0 HH22 ARG A 373 76.590 -3.546 3.367 1.00 0.00 H new ATOM 565 N ALA A 374 70.627 -6.686 -4.086 1.00 0.00 N ATOM 566 CA ALA A 374 70.542 -7.507 -5.286 1.00 0.00 C ATOM 567 C ALA A 374 69.728 -6.859 -6.413 1.00 0.00 C ATOM 568 O ALA A 374 70.135 -6.911 -7.581 1.00 0.00 O ATOM 569 CB ALA A 374 69.990 -8.886 -4.963 1.00 0.00 C ATOM 0 H ALA A 374 70.244 -7.136 -3.255 1.00 0.00 H new ATOM 0 HA ALA A 374 71.563 -7.604 -5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 374 69.936 -9.479 -5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.645 -9.381 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 374 68.992 -8.788 -4.535 1.00 0.00 H new ATOM 575 N VAL A 375 68.602 -6.260 -6.093 1.00 0.00 N ATOM 576 CA VAL A 375 67.769 -5.677 -7.131 1.00 0.00 C ATOM 577 C VAL A 375 68.222 -4.244 -7.471 1.00 0.00 C ATOM 578 O VAL A 375 68.422 -3.403 -6.586 1.00 0.00 O ATOM 579 CB VAL A 375 66.243 -5.710 -6.770 1.00 0.00 C ATOM 580 CG1 VAL A 375 65.925 -4.820 -5.590 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.395 -5.317 -7.974 1.00 0.00 C ATOM 0 H VAL A 375 68.244 -6.163 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 375 67.898 -6.298 -8.017 1.00 0.00 H new ATOM 0 HB VAL A 375 66.000 -6.734 -6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.858 -4.871 -5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.489 -5.154 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.198 -3.791 -5.826 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.340 -5.347 -7.701 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.659 -4.308 -8.292 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.578 -6.015 -8.791 1.00 0.00 H new ATOM 591 N GLN A 376 68.387 -3.972 -8.738 1.00 0.00 N ATOM 592 CA GLN A 376 68.774 -2.654 -9.208 1.00 0.00 C ATOM 593 C GLN A 376 67.540 -1.811 -9.570 1.00 0.00 C ATOM 594 O GLN A 376 67.498 -1.138 -10.598 1.00 0.00 O ATOM 595 CB GLN A 376 69.728 -2.797 -10.380 1.00 0.00 C ATOM 596 CG GLN A 376 69.289 -3.821 -11.396 1.00 0.00 C ATOM 597 CD GLN A 376 70.214 -3.889 -12.555 1.00 0.00 C ATOM 598 OE1 GLN A 376 71.201 -4.632 -12.547 1.00 0.00 O ATOM 599 NE2 GLN A 376 69.914 -3.157 -13.554 1.00 0.00 N ATOM 0 H GLN A 376 68.258 -4.657 -9.483 1.00 0.00 H new ATOM 0 HA GLN A 376 69.290 -2.123 -8.408 1.00 0.00 H new ATOM 0 HB2 GLN A 376 69.832 -1.830 -10.873 1.00 0.00 H new ATOM 0 HB3 GLN A 376 70.714 -3.071 -10.004 1.00 0.00 H new ATOM 0 HG2 GLN A 376 69.231 -4.800 -10.921 1.00 0.00 H new ATOM 0 HG3 GLN A 376 68.286 -3.577 -11.747 1.00 0.00 H new ATOM 0 HE21 GLN A 376 69.089 -2.558 -13.518 1.00 0.00 H new ATOM 0 HE22 GLN A 376 70.499 -3.170 -14.390 1.00 0.00 H new ATOM 608 N GLY A 377 66.543 -1.864 -8.688 1.00 0.00 N ATOM 609 CA GLY A 377 65.333 -1.068 -8.838 1.00 0.00 C ATOM 610 C GLY A 377 65.632 0.397 -8.773 1.00 0.00 C ATOM 611 O GLY A 377 65.173 1.190 -9.592 1.00 0.00 O ATOM 0 H GLY A 377 66.553 -2.456 -7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 377 64.857 -1.302 -9.790 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.623 -1.331 -8.054 1.00 0.00 H new ATOM 615 N ARG A 378 66.451 0.729 -7.837 1.00 0.00 N ATOM 616 CA ARG A 378 66.833 2.083 -7.574 1.00 0.00 C ATOM 617 C ARG A 378 67.831 2.524 -8.626 1.00 0.00 C ATOM 618 O ARG A 378 68.462 1.697 -9.273 1.00 0.00 O ATOM 619 CB ARG A 378 67.494 2.141 -6.230 1.00 0.00 C ATOM 620 CG ARG A 378 66.692 1.529 -5.089 1.00 0.00 C ATOM 621 CD ARG A 378 67.648 0.981 -4.108 1.00 0.00 C ATOM 622 NE ARG A 378 66.963 0.038 -3.310 1.00 0.00 N ATOM 623 CZ ARG A 378 66.783 -1.205 -3.703 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.179 -1.561 -4.922 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.222 -2.077 -2.907 1.00 0.00 N ATOM 0 H ARG A 378 66.889 0.051 -7.213 1.00 0.00 H new ATOM 0 HA ARG A 378 65.957 2.731 -7.594 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.455 1.631 -6.293 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.702 3.184 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 378 66.056 2.281 -4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 378 66.035 0.743 -5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.489 0.510 -4.617 1.00 0.00 H new ATOM 0 HD3 ARG A 378 68.057 1.779 -3.488 1.00 0.00 H new ATOM 0 HE ARG A 378 66.597 0.329 -2.403 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.615 -0.874 -5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.046 -2.521 -5.241 1.00 0.00 H new ATOM 0 HH21 ARG A 378 65.920 -1.796 -1.974 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.086 -3.039 -3.219 1.00 0.00 H new ATOM 639 N ARG A 379 68.000 3.804 -8.757 1.00 0.00 N ATOM 640 CA ARG A 379 68.894 4.365 -9.765 1.00 0.00 C ATOM 641 C ARG A 379 70.283 4.651 -9.208 1.00 0.00 C ATOM 642 O ARG A 379 71.103 5.309 -9.845 1.00 0.00 O ATOM 643 CB ARG A 379 68.273 5.623 -10.334 1.00 0.00 C ATOM 644 CG ARG A 379 67.910 6.667 -9.314 1.00 0.00 C ATOM 645 CD ARG A 379 67.032 7.701 -9.946 1.00 0.00 C ATOM 646 NE ARG A 379 66.507 8.653 -8.988 1.00 0.00 N ATOM 647 CZ ARG A 379 66.045 9.872 -9.262 1.00 0.00 C ATOM 648 NH1 ARG A 379 66.286 10.442 -10.440 1.00 0.00 N ATOM 649 NH2 ARG A 379 65.332 10.518 -8.342 1.00 0.00 N ATOM 0 H ARG A 379 67.531 4.501 -8.178 1.00 0.00 H new ATOM 0 HA ARG A 379 69.023 3.627 -10.557 1.00 0.00 H new ATOM 0 HB2 ARG A 379 68.968 6.062 -11.050 1.00 0.00 H new ATOM 0 HB3 ARG A 379 67.375 5.349 -10.888 1.00 0.00 H new ATOM 0 HG2 ARG A 379 67.396 6.204 -8.472 1.00 0.00 H new ATOM 0 HG3 ARG A 379 68.812 7.134 -8.919 1.00 0.00 H new ATOM 0 HD2 ARG A 379 67.598 8.235 -10.709 1.00 0.00 H new ATOM 0 HD3 ARG A 379 66.203 7.207 -10.452 1.00 0.00 H new ATOM 0 HE ARG A 379 66.490 8.362 -8.011 1.00 0.00 H new ATOM 0 HH11 ARG A 379 66.830 9.945 -11.145 1.00 0.00 H new ATOM 0 HH12 ARG A 379 65.927 11.376 -10.638 1.00 0.00 H new ATOM 0 HH21 ARG A 379 65.145 10.079 -7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 379 64.972 11.452 -8.539 1.00 0.00 H new ATOM 663 N LYS A 380 70.524 4.185 -8.014 1.00 0.00 N ATOM 664 CA LYS A 380 71.744 4.348 -7.318 1.00 0.00 C ATOM 665 C LYS A 380 71.938 3.007 -6.635 1.00 0.00 C ATOM 666 O LYS A 380 71.019 2.171 -6.711 1.00 0.00 O ATOM 667 CB LYS A 380 71.508 5.419 -6.249 1.00 0.00 C ATOM 668 CG LYS A 380 70.770 6.635 -6.760 1.00 0.00 C ATOM 669 CD LYS A 380 69.929 7.259 -5.677 1.00 0.00 C ATOM 670 CE LYS A 380 68.993 8.309 -6.245 1.00 0.00 C ATOM 671 NZ LYS A 380 67.933 8.696 -5.284 1.00 0.00 N ATOM 0 H LYS A 380 69.831 3.656 -7.484 1.00 0.00 H new ATOM 0 HA LYS A 380 72.591 4.633 -7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 380 70.942 4.981 -5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.470 5.733 -5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.486 7.367 -7.135 1.00 0.00 H new ATOM 0 HG3 LYS A 380 70.135 6.352 -7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 380 69.349 6.486 -5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 380 70.576 7.713 -4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 380 69.568 9.192 -6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 380 68.533 7.927 -7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 67.001 8.472 -5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 68.061 8.171 -4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 67.992 9.717 -5.094 1.00 0.00 H new ATOM 685 N ARG A 381 73.070 2.785 -5.970 1.00 0.00 N ATOM 686 CA ARG A 381 73.264 1.544 -5.177 1.00 0.00 C ATOM 687 C ARG A 381 72.216 1.530 -4.115 1.00 0.00 C ATOM 688 O ARG A 381 71.693 2.571 -3.740 1.00 0.00 O ATOM 689 CB ARG A 381 74.605 1.509 -4.438 1.00 0.00 C ATOM 690 CG ARG A 381 75.788 1.925 -5.229 1.00 0.00 C ATOM 691 CD ARG A 381 77.058 1.819 -4.403 1.00 0.00 C ATOM 692 NE ARG A 381 78.198 2.452 -5.061 1.00 0.00 N ATOM 693 CZ ARG A 381 79.483 2.093 -4.915 1.00 0.00 C ATOM 694 NH1 ARG A 381 79.812 1.005 -4.228 1.00 0.00 N ATOM 695 NH2 ARG A 381 80.434 2.817 -5.485 1.00 0.00 N ATOM 0 H ARG A 381 73.862 3.428 -5.955 1.00 0.00 H new ATOM 0 HA ARG A 381 73.219 0.703 -5.869 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.532 2.153 -3.562 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.772 0.495 -4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.874 1.300 -6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 381 75.658 2.951 -5.573 1.00 0.00 H new ATOM 0 HD2 ARG A 381 76.897 2.285 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 381 77.284 0.768 -4.220 1.00 0.00 H new ATOM 0 HE ARG A 381 78.001 3.234 -5.685 1.00 0.00 H new ATOM 0 HH11 ARG A 381 79.084 0.430 -3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 381 80.793 0.744 -4.125 1.00 0.00 H new ATOM 0 HH21 ARG A 381 80.188 3.642 -6.031 1.00 0.00 H new ATOM 0 HH22 ARG A 381 81.412 2.549 -5.378 1.00 0.00 H new ATOM 709 N PHE A 382 71.958 0.415 -3.585 1.00 0.00 N ATOM 710 CA PHE A 382 70.957 0.326 -2.566 1.00 0.00 C ATOM 711 C PHE A 382 71.421 0.984 -1.288 1.00 0.00 C ATOM 712 O PHE A 382 70.667 1.650 -0.637 1.00 0.00 O ATOM 713 CB PHE A 382 70.504 -1.106 -2.308 1.00 0.00 C ATOM 714 CG PHE A 382 69.655 -1.230 -1.059 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.530 -0.462 -0.923 1.00 0.00 C ATOM 716 CD2 PHE A 382 69.993 -2.075 -0.030 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.760 -0.509 0.183 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.199 -2.132 1.098 1.00 0.00 C ATOM 719 CZ PHE A 382 68.087 -1.338 1.189 1.00 0.00 C ATOM 0 H PHE A 382 72.415 -0.465 -3.825 1.00 0.00 H new ATOM 0 HA PHE A 382 70.087 0.868 -2.938 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.936 -1.464 -3.167 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.379 -1.749 -2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 382 68.250 0.203 -1.727 1.00 0.00 H new ATOM 0 HD2 PHE A 382 70.876 -2.692 -0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.884 0.117 0.260 1.00 0.00 H new ATOM 0 HE2 PHE A 382 69.454 -2.801 1.906 1.00 0.00 H new ATOM 0 HZ PHE A 382 67.469 -1.378 2.074 1.00 0.00 H new ATOM 729 N ASP A 383 72.651 0.834 -0.994 1.00 0.00 N ATOM 730 CA ASP A 383 73.223 1.357 0.229 1.00 0.00 C ATOM 731 C ASP A 383 73.232 2.871 0.207 1.00 0.00 C ATOM 732 O ASP A 383 72.972 3.519 1.213 1.00 0.00 O ATOM 733 CB ASP A 383 74.635 0.869 0.399 1.00 0.00 C ATOM 734 CG ASP A 383 74.765 -0.645 0.465 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.511 -1.231 1.529 1.00 0.00 O ATOM 736 OD2 ASP A 383 75.142 -1.275 -0.559 1.00 0.00 O ATOM 0 H ASP A 383 73.318 0.341 -1.588 1.00 0.00 H new ATOM 0 HA ASP A 383 72.610 1.007 1.060 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.238 1.239 -0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 383 75.049 1.299 1.311 1.00 0.00 H new ATOM 741 N VAL A 384 73.492 3.427 -0.960 1.00 0.00 N ATOM 742 CA VAL A 384 73.558 4.866 -1.131 1.00 0.00 C ATOM 743 C VAL A 384 72.162 5.437 -1.125 1.00 0.00 C ATOM 744 O VAL A 384 71.913 6.545 -0.662 1.00 0.00 O ATOM 745 CB VAL A 384 74.300 5.225 -2.437 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.468 5.004 -3.675 1.00 0.00 C ATOM 747 CG2 VAL A 384 74.911 6.605 -2.401 1.00 0.00 C ATOM 0 H VAL A 384 73.663 2.896 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 384 74.119 5.301 -0.304 1.00 0.00 H new ATOM 0 HB VAL A 384 75.128 4.519 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 384 74.048 5.275 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 384 73.182 3.954 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.572 5.622 -3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.419 6.803 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 384 74.127 7.346 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.629 6.664 -1.583 1.00 0.00 H new ATOM 757 N LEU A 385 71.273 4.656 -1.641 1.00 0.00 N ATOM 758 CA LEU A 385 69.912 4.942 -1.677 1.00 0.00 C ATOM 759 C LEU A 385 69.351 4.865 -0.248 1.00 0.00 C ATOM 760 O LEU A 385 68.589 5.719 0.185 1.00 0.00 O ATOM 761 CB LEU A 385 69.271 3.896 -2.598 1.00 0.00 C ATOM 762 CG LEU A 385 67.849 4.049 -2.949 1.00 0.00 C ATOM 763 CD1 LEU A 385 67.041 3.552 -1.832 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.543 5.482 -3.274 1.00 0.00 C ATOM 0 H LEU A 385 71.508 3.759 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 385 69.703 5.942 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.842 3.877 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.394 2.920 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 385 67.610 3.468 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 385 65.983 3.657 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.271 2.501 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.267 4.128 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.488 5.579 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.764 6.107 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 385 68.154 5.802 -4.118 1.00 0.00 H new ATOM 776 N LEU A 386 69.730 3.822 0.469 1.00 0.00 N ATOM 777 CA LEU A 386 69.288 3.625 1.832 1.00 0.00 C ATOM 778 C LEU A 386 69.814 4.759 2.685 1.00 0.00 C ATOM 779 O LEU A 386 69.212 5.117 3.671 1.00 0.00 O ATOM 780 CB LEU A 386 69.818 2.323 2.382 1.00 0.00 C ATOM 781 CG LEU A 386 68.853 1.389 3.160 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.629 0.255 3.794 1.00 0.00 C ATOM 783 CD2 LEU A 386 68.026 2.113 4.212 1.00 0.00 C ATOM 0 H LEU A 386 70.351 3.091 0.121 1.00 0.00 H new ATOM 0 HA LEU A 386 68.198 3.600 1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.225 1.754 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.652 2.560 3.043 1.00 0.00 H new ATOM 0 HG LEU A 386 68.145 0.996 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 386 68.944 -0.395 4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 386 70.135 -0.319 3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.368 0.661 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.374 1.400 4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.690 2.577 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.420 2.882 3.733 1.00 0.00 H new ATOM 795 N ALA A 387 70.954 5.308 2.292 1.00 0.00 N ATOM 796 CA ALA A 387 71.532 6.453 2.974 1.00 0.00 C ATOM 797 C ALA A 387 70.574 7.638 2.907 1.00 0.00 C ATOM 798 O ALA A 387 70.458 8.405 3.855 1.00 0.00 O ATOM 799 CB ALA A 387 72.872 6.811 2.365 1.00 0.00 C ATOM 0 H ALA A 387 71.500 4.974 1.497 1.00 0.00 H new ATOM 0 HA ALA A 387 71.694 6.196 4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.291 7.671 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.552 5.964 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 387 72.739 7.056 1.311 1.00 0.00 H new ATOM 805 N GLU A 388 69.861 7.756 1.797 1.00 0.00 N ATOM 806 CA GLU A 388 68.866 8.786 1.613 1.00 0.00 C ATOM 807 C GLU A 388 67.683 8.474 2.532 1.00 0.00 C ATOM 808 O GLU A 388 67.084 9.384 3.131 1.00 0.00 O ATOM 809 CB GLU A 388 68.415 8.800 0.165 1.00 0.00 C ATOM 810 CG GLU A 388 69.547 8.854 -0.850 1.00 0.00 C ATOM 811 CD GLU A 388 69.052 9.014 -2.263 1.00 0.00 C ATOM 812 OE1 GLU A 388 68.047 8.399 -2.625 1.00 0.00 O ATOM 813 OE2 GLU A 388 69.678 9.751 -3.058 1.00 0.00 O ATOM 0 H GLU A 388 69.962 7.132 0.996 1.00 0.00 H new ATOM 0 HA GLU A 388 69.277 9.765 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 388 67.817 7.909 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 388 67.764 9.660 0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.210 9.684 -0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 388 70.139 7.941 -0.778 1.00 0.00 H new ATOM 820 N HIS A 389 67.368 7.175 2.656 1.00 0.00 N ATOM 821 CA HIS A 389 66.358 6.715 3.599 1.00 0.00 C ATOM 822 C HIS A 389 66.743 7.077 4.963 1.00 0.00 C ATOM 823 O HIS A 389 65.955 7.563 5.661 1.00 0.00 O ATOM 824 CB HIS A 389 66.090 5.223 3.535 1.00 0.00 C ATOM 825 CG HIS A 389 65.137 4.743 4.569 1.00 0.00 C ATOM 826 ND1 HIS A 389 63.872 5.197 4.725 1.00 0.00 N ATOM 827 CD2 HIS A 389 65.374 3.948 5.593 1.00 0.00 C ATOM 828 CE1 HIS A 389 63.394 4.701 5.833 1.00 0.00 C ATOM 829 NE2 HIS A 389 64.285 3.931 6.366 1.00 0.00 N ATOM 0 H HIS A 389 67.803 6.431 2.111 1.00 0.00 H new ATOM 0 HA HIS A 389 65.432 7.213 3.311 1.00 0.00 H new ATOM 0 HB2 HIS A 389 65.698 4.975 2.549 1.00 0.00 H new ATOM 0 HB3 HIS A 389 67.033 4.688 3.646 1.00 0.00 H new ATOM 0 HD1 HIS A 389 63.377 5.820 4.086 1.00 0.00 H new ATOM 0 HD2 HIS A 389 66.289 3.405 5.775 1.00 0.00 H new ATOM 0 HE1 HIS A 389 62.413 4.901 6.239 1.00 0.00 H new ATOM 838 N LYS A 390 67.937 6.792 5.350 1.00 0.00 N ATOM 839 CA LYS A 390 68.377 7.131 6.665 1.00 0.00 C ATOM 840 C LYS A 390 68.436 8.601 6.880 1.00 0.00 C ATOM 841 O LYS A 390 68.128 9.073 7.917 1.00 0.00 O ATOM 842 CB LYS A 390 69.649 6.438 6.981 1.00 0.00 C ATOM 843 CG LYS A 390 69.532 4.952 6.694 1.00 0.00 C ATOM 844 CD LYS A 390 68.360 4.305 7.442 1.00 0.00 C ATOM 845 CE LYS A 390 68.732 4.042 8.871 1.00 0.00 C ATOM 846 NZ LYS A 390 69.954 3.232 9.016 1.00 0.00 N ATOM 0 H LYS A 390 68.634 6.321 4.773 1.00 0.00 H new ATOM 0 HA LYS A 390 67.633 6.773 7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.459 6.866 6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 390 69.903 6.593 8.030 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.404 4.800 5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.460 4.455 6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.489 4.959 7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 390 68.081 3.371 6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.872 4.994 9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.906 3.532 9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.960 2.777 9.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.977 2.502 8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.789 3.845 8.924 1.00 0.00 H new ATOM 860 N ASN A 391 68.732 9.330 5.897 1.00 0.00 N ATOM 861 CA ASN A 391 68.704 10.755 6.081 1.00 0.00 C ATOM 862 C ASN A 391 67.257 11.262 6.326 1.00 0.00 C ATOM 863 O ASN A 391 67.047 12.322 6.915 1.00 0.00 O ATOM 864 CB ASN A 391 69.406 11.486 4.946 1.00 0.00 C ATOM 865 CG ASN A 391 70.901 11.644 5.168 1.00 0.00 C ATOM 866 OD1 ASN A 391 71.360 12.624 5.764 1.00 0.00 O ATOM 867 ND2 ASN A 391 71.676 10.705 4.700 1.00 0.00 N ATOM 0 H ASN A 391 68.994 9.002 4.967 1.00 0.00 H new ATOM 0 HA ASN A 391 69.272 10.987 6.982 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.239 10.944 4.015 1.00 0.00 H new ATOM 0 HB3 ASN A 391 68.957 12.472 4.825 1.00 0.00 H new ATOM 0 HD21 ASN A 391 72.687 10.770 4.822 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.271 9.906 4.212 1.00 0.00 H new ATOM 874 N LYS A 392 66.295 10.471 5.894 1.00 0.00 N ATOM 875 CA LYS A 392 64.893 10.706 6.121 1.00 0.00 C ATOM 876 C LYS A 392 64.450 10.004 7.433 1.00 0.00 C ATOM 877 O LYS A 392 64.087 10.641 8.417 1.00 0.00 O ATOM 878 CB LYS A 392 64.115 10.102 4.961 1.00 0.00 C ATOM 879 CG LYS A 392 62.614 10.255 5.092 1.00 0.00 C ATOM 880 CD LYS A 392 62.099 11.553 4.532 1.00 0.00 C ATOM 881 CE LYS A 392 62.197 11.580 3.007 1.00 0.00 C ATOM 882 NZ LYS A 392 61.702 12.843 2.451 1.00 0.00 N ATOM 0 H LYS A 392 66.479 9.622 5.359 1.00 0.00 H new ATOM 0 HA LYS A 392 64.705 11.777 6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 392 64.440 10.572 4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.358 9.042 4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.125 9.426 4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.339 10.186 6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 392 61.061 11.695 4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 392 62.669 12.383 4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 392 63.235 11.433 2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 392 61.624 10.751 2.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 61.785 12.822 1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 60.705 12.972 2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 62.265 13.632 2.828 1.00 0.00 H new ATOM 896 N THR A 393 64.527 8.690 7.412 1.00 0.00 N ATOM 897 CA THR A 393 64.110 7.803 8.449 1.00 0.00 C ATOM 898 C THR A 393 65.280 6.878 8.880 1.00 0.00 C ATOM 899 O THR A 393 65.353 5.684 8.572 1.00 0.00 O ATOM 900 CB THR A 393 62.990 6.945 7.944 1.00 0.00 C ATOM 901 OG1 THR A 393 61.949 7.789 7.413 1.00 0.00 O ATOM 902 CG2 THR A 393 62.431 6.054 9.045 1.00 0.00 C ATOM 0 H THR A 393 64.911 8.191 6.609 1.00 0.00 H new ATOM 0 HA THR A 393 63.786 8.397 9.303 1.00 0.00 H new ATOM 0 HB THR A 393 63.378 6.295 7.159 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.215 7.232 7.080 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.621 5.445 8.644 1.00 0.00 H new ATOM 0 HG22 THR A 393 63.220 5.404 9.423 1.00 0.00 H new ATOM 0 HG23 THR A 393 62.052 6.674 9.857 1.00 0.00 H new ATOM 910 N ARG A 394 66.235 7.515 9.375 1.00 0.00 N ATOM 911 CA ARG A 394 67.411 6.951 10.050 1.00 0.00 C ATOM 912 C ARG A 394 67.086 6.011 11.227 1.00 0.00 C ATOM 913 O ARG A 394 67.975 5.336 11.753 1.00 0.00 O ATOM 914 CB ARG A 394 68.407 8.056 10.474 1.00 0.00 C ATOM 915 CG ARG A 394 67.917 9.032 11.495 1.00 0.00 C ATOM 916 CD ARG A 394 69.047 9.916 12.009 1.00 0.00 C ATOM 917 NE ARG A 394 70.124 9.130 12.651 1.00 0.00 N ATOM 918 CZ ARG A 394 70.895 9.554 13.665 1.00 0.00 C ATOM 919 NH1 ARG A 394 70.755 10.779 14.149 1.00 0.00 N ATOM 920 NH2 ARG A 394 71.811 8.747 14.177 1.00 0.00 N ATOM 0 H ARG A 394 66.266 8.534 9.343 1.00 0.00 H new ATOM 0 HA ARG A 394 67.887 6.318 9.301 1.00 0.00 H new ATOM 0 HB2 ARG A 394 69.305 7.576 10.862 1.00 0.00 H new ATOM 0 HB3 ARG A 394 68.702 8.611 9.584 1.00 0.00 H new ATOM 0 HG2 ARG A 394 67.136 9.655 11.059 1.00 0.00 H new ATOM 0 HG3 ARG A 394 67.467 8.493 12.329 1.00 0.00 H new ATOM 0 HD2 ARG A 394 69.463 10.490 11.181 1.00 0.00 H new ATOM 0 HD3 ARG A 394 68.647 10.634 12.725 1.00 0.00 H new ATOM 0 HE ARG A 394 70.294 8.190 12.294 1.00 0.00 H new ATOM 0 HH11 ARG A 394 70.057 11.408 13.751 1.00 0.00 H new ATOM 0 HH12 ARG A 394 71.345 11.093 14.920 1.00 0.00 H new ATOM 0 HH21 ARG A 394 71.929 7.806 13.801 1.00 0.00 H new ATOM 0 HH22 ARG A 394 72.398 9.066 14.947 1.00 0.00 H new