USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=18 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= -1.92 K(o=-1.5,f=-4.4) USER MOD Set 1.2: A 359 THR OG1 : rot 96:sc= 0.384 USER MOD Set 2.1: A 347 CYS SG : rot 167:sc= -0.291 USER MOD Set 2.2: A 358 CYS SG : rot -140:sc= -1.08 USER MOD Set 2.3: A 364 CYS SG : rot 122:sc= 0.24 USER MOD Set 2.4: A 366 THR OG1 : rot 180:sc= 0.0369 USER MOD Set 2.5: A 367 HIS : no HD1:sc= -0.319 K(o=-3.1,f=-6.3!) USER MOD Set 2.6: A 371 GLN : amide:sc= -1.67 K(o=-3.1,f=-1.7) USER MOD Single : A 354 THR OG1 : rot -170:sc= -1.57 USER MOD Single : A 355 LYS NZ :NH3+ 150:sc= -1.93! (180deg=-3.55!) USER MOD Single : A 356 LYS NZ :NH3+ 161:sc= -0.142 (180deg=-0.616) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 363 THR OG1 : rot -44:sc= 0.282 USER MOD Single : A 365 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0955) USER MOD Single : A 368 SER OG : rot 180:sc= -0.774 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+ -161:sc= 1.27 (180deg=0.954) USER MOD Single : A 389 HIS : no HE2:sc= -6.92! C(o=-6.9!,f=-6!) USER MOD Single : A 390 LYS NZ :NH3+ -137:sc= -0.31 (180deg=-1.27!) USER MOD Single : A 391 ASN : amide:sc= 1.24 K(o=1.2,f=-0.0085) USER MOD Single : A 392 LYS NZ :NH3+ -168:sc= -0.0538 (180deg=-0.264) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N PHE A 341 54.172 1.667 -6.383 1.00 0.00 N ATOM 41 CA PHE A 341 55.563 1.305 -6.505 1.00 0.00 C ATOM 42 C PHE A 341 56.400 2.374 -7.155 1.00 0.00 C ATOM 43 O PHE A 341 56.150 2.811 -8.288 1.00 0.00 O ATOM 44 CB PHE A 341 55.750 -0.002 -7.279 1.00 0.00 C ATOM 45 CG PHE A 341 57.184 -0.345 -7.464 1.00 0.00 C ATOM 46 CD1 PHE A 341 57.991 -0.522 -6.369 1.00 0.00 C ATOM 47 CD2 PHE A 341 57.720 -0.498 -8.722 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.292 -0.847 -6.511 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.038 -0.832 -8.876 1.00 0.00 C ATOM 50 CZ PHE A 341 59.825 -1.010 -7.768 1.00 0.00 C ATOM 0 HA PHE A 341 55.907 1.176 -5.479 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.250 -0.812 -6.747 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.270 0.083 -8.254 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.578 -0.399 -5.379 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.097 -0.354 -9.592 1.00 0.00 H new ATOM 0 HE1 PHE A 341 59.915 -0.979 -5.638 1.00 0.00 H new ATOM 0 HE2 PHE A 341 59.456 -0.955 -9.864 1.00 0.00 H new ATOM 0 HZ PHE A 341 60.865 -1.279 -7.882 1.00 0.00 H new ATOM 60 N ASP A 342 57.381 2.763 -6.419 1.00 0.00 N ATOM 61 CA ASP A 342 58.376 3.684 -6.869 1.00 0.00 C ATOM 62 C ASP A 342 59.697 2.996 -6.822 1.00 0.00 C ATOM 63 O ASP A 342 60.253 2.863 -5.764 1.00 0.00 O ATOM 64 CB ASP A 342 58.505 4.993 -6.035 1.00 0.00 C ATOM 65 CG ASP A 342 57.561 6.094 -6.424 1.00 0.00 C ATOM 66 OD1 ASP A 342 57.779 6.717 -7.494 1.00 0.00 O ATOM 67 OD2 ASP A 342 56.623 6.392 -5.678 1.00 0.00 O ATOM 0 H ASP A 342 57.521 2.443 -5.461 1.00 0.00 H new ATOM 0 HA ASP A 342 58.067 3.986 -7.870 1.00 0.00 H new ATOM 0 HB2 ASP A 342 58.344 4.753 -4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 342 59.526 5.363 -6.125 1.00 0.00 H new ATOM 72 N PRO A 343 60.238 2.513 -7.929 1.00 0.00 N ATOM 73 CA PRO A 343 61.547 1.839 -7.897 1.00 0.00 C ATOM 74 C PRO A 343 62.640 2.804 -7.591 1.00 0.00 C ATOM 75 O PRO A 343 63.646 2.477 -7.004 1.00 0.00 O ATOM 76 CB PRO A 343 61.718 1.289 -9.294 1.00 0.00 C ATOM 77 CG PRO A 343 60.811 2.089 -10.160 1.00 0.00 C ATOM 78 CD PRO A 343 59.655 2.534 -9.289 1.00 0.00 C ATOM 0 HA PRO A 343 61.591 1.069 -7.127 1.00 0.00 H new ATOM 0 HB2 PRO A 343 62.753 1.378 -9.625 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.461 0.230 -9.331 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.334 2.949 -10.577 1.00 0.00 H new ATOM 0 HG3 PRO A 343 60.455 1.494 -11.001 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.303 3.529 -9.562 1.00 0.00 H new ATOM 0 HD3 PRO A 343 58.803 1.860 -9.374 1.00 0.00 H new ATOM 86 N ASP A 344 62.357 4.000 -7.927 1.00 0.00 N ATOM 87 CA ASP A 344 63.236 5.112 -7.821 1.00 0.00 C ATOM 88 C ASP A 344 63.548 5.406 -6.363 1.00 0.00 C ATOM 89 O ASP A 344 64.612 5.960 -6.035 1.00 0.00 O ATOM 90 CB ASP A 344 62.508 6.289 -8.476 1.00 0.00 C ATOM 91 CG ASP A 344 63.328 7.507 -8.743 1.00 0.00 C ATOM 92 OD1 ASP A 344 63.597 8.297 -7.822 1.00 0.00 O ATOM 93 OD2 ASP A 344 63.680 7.733 -9.928 1.00 0.00 O ATOM 0 H ASP A 344 61.446 4.254 -8.310 1.00 0.00 H new ATOM 0 HA ASP A 344 64.190 4.919 -8.312 1.00 0.00 H new ATOM 0 HB2 ASP A 344 62.085 5.947 -9.421 1.00 0.00 H new ATOM 0 HB3 ASP A 344 61.672 6.573 -7.837 1.00 0.00 H new ATOM 98 N ILE A 345 62.650 4.982 -5.496 1.00 0.00 N ATOM 99 CA ILE A 345 62.741 5.323 -4.093 1.00 0.00 C ATOM 100 C ILE A 345 62.624 4.075 -3.204 1.00 0.00 C ATOM 101 O ILE A 345 63.253 3.978 -2.173 1.00 0.00 O ATOM 102 CB ILE A 345 61.635 6.396 -3.700 1.00 0.00 C ATOM 103 CG1 ILE A 345 60.402 5.771 -3.064 1.00 0.00 C ATOM 104 CG2 ILE A 345 61.223 7.214 -4.913 1.00 0.00 C ATOM 105 CD1 ILE A 345 59.318 6.771 -2.709 1.00 0.00 C ATOM 0 H ILE A 345 61.849 4.400 -5.740 1.00 0.00 H new ATOM 0 HA ILE A 345 63.724 5.762 -3.923 1.00 0.00 H new ATOM 0 HB ILE A 345 62.093 7.046 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 345 59.989 5.030 -3.748 1.00 0.00 H new ATOM 0 HG13 ILE A 345 60.701 5.239 -2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.466 7.942 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 345 62.093 7.736 -5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 345 60.815 6.552 -5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 345 58.473 6.248 -2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 345 59.712 7.498 -1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 345 58.988 7.286 -3.611 1.00 0.00 H new ATOM 117 N HIS A 346 61.868 3.109 -3.651 1.00 0.00 N ATOM 118 CA HIS A 346 61.523 1.978 -2.838 1.00 0.00 C ATOM 119 C HIS A 346 62.351 0.749 -3.079 1.00 0.00 C ATOM 120 O HIS A 346 63.275 0.724 -3.870 1.00 0.00 O ATOM 121 CB HIS A 346 60.033 1.662 -2.953 1.00 0.00 C ATOM 122 CG HIS A 346 59.185 2.580 -2.145 1.00 0.00 C ATOM 123 ND1 HIS A 346 58.178 3.324 -2.698 1.00 0.00 N ATOM 124 CD2 HIS A 346 59.230 2.810 -0.824 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.637 3.995 -1.677 1.00 0.00 C ATOM 126 NE2 HIS A 346 58.250 3.707 -0.534 1.00 0.00 N ATOM 0 H HIS A 346 61.474 3.085 -4.591 1.00 0.00 H new ATOM 0 HA HIS A 346 61.757 2.280 -1.817 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.733 1.724 -3.999 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.858 0.635 -2.631 1.00 0.00 H new ATOM 0 HD2 HIS A 346 59.918 2.365 -0.120 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.809 4.682 -1.769 1.00 0.00 H new ATOM 0 HE2 HIS A 346 58.028 4.087 0.386 1.00 0.00 H new ATOM 134 N CYS A 347 61.981 -0.266 -2.345 1.00 0.00 N ATOM 135 CA CYS A 347 62.646 -1.556 -2.300 1.00 0.00 C ATOM 136 C CYS A 347 62.771 -2.236 -3.674 1.00 0.00 C ATOM 137 O CYS A 347 63.790 -2.823 -3.946 1.00 0.00 O ATOM 138 CB CYS A 347 61.899 -2.425 -1.283 1.00 0.00 C ATOM 139 SG CYS A 347 62.547 -4.120 -0.893 1.00 0.00 S ATOM 0 H CYS A 347 61.169 -0.221 -1.730 1.00 0.00 H new ATOM 0 HA CYS A 347 63.680 -1.411 -1.988 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.852 -1.868 -0.347 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.875 -2.539 -1.638 1.00 0.00 H new ATOM 0 HG CYS A 347 61.959 -4.575 0.173 1.00 0.00 H new ATOM 144 N GLY A 348 61.710 -2.257 -4.464 1.00 0.00 N ATOM 145 CA GLY A 348 61.808 -2.805 -5.828 1.00 0.00 C ATOM 146 C GLY A 348 61.947 -4.307 -5.905 1.00 0.00 C ATOM 147 O GLY A 348 62.014 -4.869 -6.992 1.00 0.00 O ATOM 0 H GLY A 348 60.786 -1.912 -4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 348 60.920 -2.508 -6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.665 -2.350 -6.325 1.00 0.00 H new ATOM 151 N VAL A 349 61.936 -4.962 -4.768 1.00 0.00 N ATOM 152 CA VAL A 349 62.078 -6.402 -4.751 1.00 0.00 C ATOM 153 C VAL A 349 60.760 -6.940 -4.984 1.00 0.00 C ATOM 154 O VAL A 349 59.851 -6.729 -4.171 1.00 0.00 O ATOM 155 CB VAL A 349 62.631 -6.987 -3.411 1.00 0.00 C ATOM 156 CG1 VAL A 349 62.794 -8.507 -3.490 1.00 0.00 C ATOM 157 CG2 VAL A 349 63.937 -6.352 -3.013 1.00 0.00 C ATOM 0 H VAL A 349 61.831 -4.528 -3.851 1.00 0.00 H new ATOM 0 HA VAL A 349 62.809 -6.677 -5.511 1.00 0.00 H new ATOM 0 HB VAL A 349 61.893 -6.752 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.180 -8.881 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 349 61.827 -8.966 -3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 349 63.491 -8.757 -4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.284 -6.789 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 349 64.679 -6.527 -3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.795 -5.279 -2.882 1.00 0.00 H new ATOM 167 N ILE A 350 60.621 -7.531 -6.096 1.00 0.00 N ATOM 168 CA ILE A 350 59.436 -8.154 -6.420 1.00 0.00 C ATOM 169 C ILE A 350 59.285 -9.346 -5.544 1.00 0.00 C ATOM 170 O ILE A 350 60.148 -10.221 -5.496 1.00 0.00 O ATOM 171 CB ILE A 350 59.347 -8.470 -7.900 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.318 -7.124 -8.653 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.147 -9.344 -8.181 1.00 0.00 C ATOM 174 CD1 ILE A 350 58.791 -7.167 -10.059 1.00 0.00 C ATOM 0 H ILE A 350 61.346 -7.591 -6.811 1.00 0.00 H new ATOM 0 HA ILE A 350 58.596 -7.484 -6.238 1.00 0.00 H new ATOM 0 HB ILE A 350 60.208 -9.043 -8.245 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.711 -6.423 -8.080 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.331 -6.722 -8.678 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.097 -9.562 -9.248 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.238 -10.277 -7.624 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.239 -8.825 -7.874 1.00 0.00 H new ATOM 0 HD11 ILE A 350 58.818 -6.165 -10.488 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.409 -7.836 -10.659 1.00 0.00 H new ATOM 0 HD13 ILE A 350 57.764 -7.531 -10.052 1.00 0.00 H new ATOM 186 N ASP A 351 58.219 -9.338 -4.825 1.00 0.00 N ATOM 187 CA ASP A 351 58.006 -10.284 -3.780 1.00 0.00 C ATOM 188 C ASP A 351 57.681 -11.605 -4.362 1.00 0.00 C ATOM 189 O ASP A 351 56.866 -11.694 -5.212 1.00 0.00 O ATOM 190 CB ASP A 351 56.884 -9.803 -2.904 1.00 0.00 C ATOM 191 CG ASP A 351 56.667 -10.670 -1.719 1.00 0.00 C ATOM 192 OD1 ASP A 351 57.586 -10.778 -0.873 1.00 0.00 O ATOM 193 OD2 ASP A 351 55.588 -11.275 -1.624 1.00 0.00 O ATOM 0 H ASP A 351 57.459 -8.668 -4.945 1.00 0.00 H new ATOM 0 HA ASP A 351 58.910 -10.385 -3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 351 57.099 -8.788 -2.571 1.00 0.00 H new ATOM 0 HB3 ASP A 351 55.966 -9.759 -3.489 1.00 0.00 H new ATOM 198 N LEU A 352 58.331 -12.622 -3.934 1.00 0.00 N ATOM 199 CA LEU A 352 58.090 -13.929 -4.476 1.00 0.00 C ATOM 200 C LEU A 352 56.837 -14.595 -3.928 1.00 0.00 C ATOM 201 O LEU A 352 56.462 -15.694 -4.362 1.00 0.00 O ATOM 202 CB LEU A 352 59.327 -14.765 -4.329 1.00 0.00 C ATOM 203 CG LEU A 352 60.286 -14.813 -5.525 1.00 0.00 C ATOM 204 CD1 LEU A 352 59.848 -15.891 -6.503 1.00 0.00 C ATOM 205 CD2 LEU A 352 60.351 -13.475 -6.262 1.00 0.00 C ATOM 0 H LEU A 352 59.042 -12.586 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 352 57.875 -13.822 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 352 59.882 -14.398 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 352 59.020 -15.786 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 352 61.277 -15.037 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 352 60.536 -15.917 -7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 352 59.852 -16.859 -6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 352 58.842 -15.671 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 352 61.042 -13.555 -7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 352 59.359 -13.215 -6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.698 -12.700 -5.579 1.00 0.00 H new ATOM 217 N ASP A 353 56.181 -13.948 -2.998 1.00 0.00 N ATOM 218 CA ASP A 353 54.928 -14.425 -2.504 1.00 0.00 C ATOM 219 C ASP A 353 53.807 -13.780 -3.307 1.00 0.00 C ATOM 220 O ASP A 353 53.019 -14.473 -3.951 1.00 0.00 O ATOM 221 CB ASP A 353 54.769 -14.124 -1.011 1.00 0.00 C ATOM 222 CG ASP A 353 55.685 -14.930 -0.115 1.00 0.00 C ATOM 223 OD1 ASP A 353 56.848 -14.520 0.116 1.00 0.00 O ATOM 224 OD2 ASP A 353 55.261 -15.990 0.393 1.00 0.00 O ATOM 0 H ASP A 353 56.504 -13.081 -2.568 1.00 0.00 H new ATOM 0 HA ASP A 353 54.886 -15.508 -2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 353 54.956 -13.063 -0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 353 53.736 -14.315 -0.721 1.00 0.00 H new ATOM 229 N THR A 354 53.776 -12.457 -3.323 1.00 0.00 N ATOM 230 CA THR A 354 52.730 -11.719 -4.039 1.00 0.00 C ATOM 231 C THR A 354 53.059 -11.539 -5.537 1.00 0.00 C ATOM 232 O THR A 354 52.168 -11.572 -6.401 1.00 0.00 O ATOM 233 CB THR A 354 52.484 -10.352 -3.382 1.00 0.00 C ATOM 234 OG1 THR A 354 53.731 -9.648 -3.273 1.00 0.00 O ATOM 235 CG2 THR A 354 51.876 -10.516 -1.997 1.00 0.00 C ATOM 0 H THR A 354 54.460 -11.866 -2.851 1.00 0.00 H new ATOM 0 HA THR A 354 51.820 -12.316 -3.975 1.00 0.00 H new ATOM 0 HB THR A 354 51.786 -9.789 -4.002 1.00 0.00 H new ATOM 0 HG1 THR A 354 53.609 -8.850 -2.717 1.00 0.00 H new ATOM 0 HG21 THR A 354 51.712 -9.534 -1.553 1.00 0.00 H new ATOM 0 HG22 THR A 354 50.925 -11.042 -2.077 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.556 -11.090 -1.367 1.00 0.00 H new ATOM 243 N LYS A 355 54.333 -11.343 -5.817 1.00 0.00 N ATOM 244 CA LYS A 355 54.898 -11.177 -7.175 1.00 0.00 C ATOM 245 C LYS A 355 54.566 -9.869 -7.778 1.00 0.00 C ATOM 246 O LYS A 355 54.190 -9.745 -8.940 1.00 0.00 O ATOM 247 CB LYS A 355 54.660 -12.355 -8.093 1.00 0.00 C ATOM 248 CG LYS A 355 55.338 -13.602 -7.623 1.00 0.00 C ATOM 249 CD LYS A 355 56.827 -13.626 -7.899 1.00 0.00 C ATOM 250 CE LYS A 355 57.177 -13.861 -9.367 1.00 0.00 C ATOM 251 NZ LYS A 355 56.816 -12.762 -10.284 1.00 0.00 N ATOM 0 H LYS A 355 55.044 -11.290 -5.088 1.00 0.00 H new ATOM 0 HA LYS A 355 55.979 -11.168 -7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 355 53.588 -12.537 -8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 355 55.016 -12.108 -9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 355 55.174 -13.712 -6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 355 54.874 -14.462 -8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 355 57.262 -12.679 -7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 355 57.287 -14.409 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 355 58.250 -14.039 -9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 355 56.678 -14.770 -9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 57.484 -12.741 -11.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 55.852 -12.913 -10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 56.858 -11.857 -9.774 1.00 0.00 H new ATOM 265 N LYS A 356 54.752 -8.915 -6.972 1.00 0.00 N ATOM 266 CA LYS A 356 54.598 -7.546 -7.275 1.00 0.00 C ATOM 267 C LYS A 356 55.762 -6.868 -6.613 1.00 0.00 C ATOM 268 O LYS A 356 56.420 -7.500 -5.773 1.00 0.00 O ATOM 269 CB LYS A 356 53.275 -7.069 -6.717 1.00 0.00 C ATOM 270 CG LYS A 356 53.208 -6.953 -5.219 1.00 0.00 C ATOM 271 CD LYS A 356 51.852 -6.467 -4.806 1.00 0.00 C ATOM 272 CE LYS A 356 51.809 -6.164 -3.332 1.00 0.00 C ATOM 273 NZ LYS A 356 52.758 -5.094 -2.971 1.00 0.00 N ATOM 0 H LYS A 356 55.038 -9.072 -6.006 1.00 0.00 H new ATOM 0 HA LYS A 356 54.587 -7.334 -8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.048 -6.095 -7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.494 -7.754 -7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.412 -7.921 -4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 356 53.975 -6.264 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 356 51.596 -5.571 -5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.103 -7.221 -5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 356 50.799 -5.866 -3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 356 52.044 -7.066 -2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 52.491 -4.689 -2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 53.718 -5.488 -2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 52.735 -4.350 -3.697 1.00 0.00 H new ATOM 287 N PRO A 357 56.082 -5.633 -6.955 1.00 0.00 N ATOM 288 CA PRO A 357 57.202 -4.984 -6.380 1.00 0.00 C ATOM 289 C PRO A 357 57.016 -4.567 -4.978 1.00 0.00 C ATOM 290 O PRO A 357 55.980 -4.797 -4.340 1.00 0.00 O ATOM 291 CB PRO A 357 57.471 -3.802 -7.220 1.00 0.00 C ATOM 292 CG PRO A 357 56.311 -3.599 -8.110 1.00 0.00 C ATOM 293 CD PRO A 357 55.373 -4.776 -7.904 1.00 0.00 C ATOM 0 HA PRO A 357 58.031 -5.691 -6.352 1.00 0.00 H new ATOM 0 HB2 PRO A 357 57.632 -2.922 -6.598 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.379 -3.949 -7.805 1.00 0.00 H new ATOM 0 HG2 PRO A 357 55.807 -2.661 -7.877 1.00 0.00 H new ATOM 0 HG3 PRO A 357 56.630 -3.540 -9.150 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.410 -4.454 -7.508 1.00 0.00 H new ATOM 0 HD3 PRO A 357 55.175 -5.297 -8.841 1.00 0.00 H new ATOM 301 N CYS A 358 57.995 -3.887 -4.501 1.00 0.00 N ATOM 302 CA CYS A 358 58.036 -3.624 -3.202 1.00 0.00 C ATOM 303 C CYS A 358 58.220 -2.213 -2.927 1.00 0.00 C ATOM 304 O CYS A 358 59.322 -1.670 -3.054 1.00 0.00 O ATOM 305 CB CYS A 358 59.091 -4.350 -2.599 1.00 0.00 C ATOM 306 SG CYS A 358 59.027 -4.146 -0.856 1.00 0.00 S ATOM 0 H CYS A 358 58.772 -3.517 -5.048 1.00 0.00 H new ATOM 0 HA CYS A 358 57.074 -3.924 -2.786 1.00 0.00 H new ATOM 0 HB2 CYS A 358 59.011 -5.407 -2.855 1.00 0.00 H new ATOM 0 HB3 CYS A 358 60.050 -4.001 -2.981 1.00 0.00 H new ATOM 0 HG CYS A 358 60.234 -4.018 -0.389 1.00 0.00 H new ATOM 311 N THR A 359 57.198 -1.648 -2.541 1.00 0.00 N ATOM 312 CA THR A 359 57.178 -0.287 -2.150 1.00 0.00 C ATOM 313 C THR A 359 56.835 -0.174 -0.647 1.00 0.00 C ATOM 314 O THR A 359 56.012 0.594 -0.201 1.00 0.00 O ATOM 315 CB THR A 359 56.306 0.553 -3.164 1.00 0.00 C ATOM 316 OG1 THR A 359 55.890 1.828 -2.715 1.00 0.00 O ATOM 317 CG2 THR A 359 55.150 -0.244 -3.738 1.00 0.00 C ATOM 0 H THR A 359 56.292 -2.111 -2.473 1.00 0.00 H new ATOM 0 HA THR A 359 58.163 0.174 -2.220 1.00 0.00 H new ATOM 0 HB THR A 359 57.006 0.769 -3.971 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.514 2.510 -3.042 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.584 0.381 -4.428 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.536 -1.114 -4.270 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.498 -0.573 -2.929 1.00 0.00 H new ATOM 325 N ARG A 360 57.555 -0.996 0.117 1.00 0.00 N ATOM 326 CA ARG A 360 57.452 -0.997 1.578 1.00 0.00 C ATOM 327 C ARG A 360 58.088 0.244 2.100 1.00 0.00 C ATOM 328 O ARG A 360 57.442 1.136 2.639 1.00 0.00 O ATOM 329 CB ARG A 360 58.205 -2.175 2.157 1.00 0.00 C ATOM 330 CG ARG A 360 57.484 -3.469 2.094 1.00 0.00 C ATOM 331 CD ARG A 360 56.402 -3.590 3.133 1.00 0.00 C ATOM 332 NE ARG A 360 55.101 -3.815 2.514 1.00 0.00 N ATOM 333 CZ ARG A 360 53.961 -4.083 3.161 1.00 0.00 C ATOM 334 NH1 ARG A 360 53.917 -4.070 4.487 1.00 0.00 N ATOM 335 NH2 ARG A 360 52.852 -4.338 2.462 1.00 0.00 N ATOM 0 H ARG A 360 58.220 -1.674 -0.254 1.00 0.00 H new ATOM 0 HA ARG A 360 56.400 -1.056 1.857 1.00 0.00 H new ATOM 0 HB2 ARG A 360 59.152 -2.278 1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 360 58.443 -1.959 3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 360 57.044 -3.586 1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 360 58.197 -4.283 2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 360 56.633 -4.413 3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.369 -2.682 3.735 1.00 0.00 H new ATOM 0 HE ARG A 360 55.056 -3.763 1.496 1.00 0.00 H new ATOM 0 HH11 ARG A 360 54.758 -3.854 5.023 1.00 0.00 H new ATOM 0 HH12 ARG A 360 53.043 -4.276 4.970 1.00 0.00 H new ATOM 0 HH21 ARG A 360 52.878 -4.328 1.442 1.00 0.00 H new ATOM 0 HH22 ARG A 360 51.979 -4.543 2.948 1.00 0.00 H new ATOM 349 N SER A 361 59.376 0.257 1.934 1.00 0.00 N ATOM 350 CA SER A 361 60.224 1.346 2.260 1.00 0.00 C ATOM 351 C SER A 361 61.574 1.047 1.722 1.00 0.00 C ATOM 352 O SER A 361 61.802 -0.042 1.109 1.00 0.00 O ATOM 353 CB SER A 361 60.296 1.573 3.770 1.00 0.00 C ATOM 354 OG SER A 361 60.669 0.373 4.431 1.00 0.00 O ATOM 0 H SER A 361 59.883 -0.538 1.546 1.00 0.00 H new ATOM 0 HA SER A 361 59.824 2.260 1.820 1.00 0.00 H new ATOM 0 HB2 SER A 361 61.018 2.358 3.993 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.329 1.915 4.140 1.00 0.00 H new ATOM 0 HG SER A 361 60.713 0.532 5.397 1.00 0.00 H new ATOM 360 N LEU A 362 62.467 1.951 1.984 1.00 0.00 N ATOM 361 CA LEU A 362 63.817 1.889 1.562 1.00 0.00 C ATOM 362 C LEU A 362 64.584 0.992 2.526 1.00 0.00 C ATOM 363 O LEU A 362 65.706 0.641 2.298 1.00 0.00 O ATOM 364 CB LEU A 362 64.412 3.314 1.574 1.00 0.00 C ATOM 365 CG LEU A 362 63.719 4.407 0.696 1.00 0.00 C ATOM 366 CD1 LEU A 362 62.355 4.845 1.231 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.612 5.621 0.485 1.00 0.00 C ATOM 0 H LEU A 362 62.255 2.790 2.525 1.00 0.00 H new ATOM 0 HA LEU A 362 63.887 1.483 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.414 3.666 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.453 3.244 1.259 1.00 0.00 H new ATOM 0 HG LEU A 362 63.547 3.927 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 362 61.933 5.604 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 362 61.686 3.985 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 362 62.473 5.258 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 362 64.090 6.354 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 362 64.856 6.065 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 362 65.530 5.315 -0.016 1.00 0.00 H new ATOM 379 N THR A 363 63.916 0.609 3.587 1.00 0.00 N ATOM 380 CA THR A 363 64.504 -0.191 4.637 1.00 0.00 C ATOM 381 C THR A 363 63.564 -1.388 4.940 1.00 0.00 C ATOM 382 O THR A 363 63.531 -1.926 6.047 1.00 0.00 O ATOM 383 CB THR A 363 64.718 0.714 5.881 1.00 0.00 C ATOM 384 OG1 THR A 363 65.419 0.038 6.918 1.00 0.00 O ATOM 385 CG2 THR A 363 63.400 1.238 6.403 1.00 0.00 C ATOM 0 H THR A 363 62.937 0.846 3.749 1.00 0.00 H new ATOM 0 HA THR A 363 65.472 -0.595 4.339 1.00 0.00 H new ATOM 0 HB THR A 363 65.330 1.556 5.557 1.00 0.00 H new ATOM 0 HG1 THR A 363 65.057 -0.867 7.022 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.578 1.869 7.274 1.00 0.00 H new ATOM 0 HG22 THR A 363 62.908 1.823 5.626 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.762 0.401 6.686 1.00 0.00 H new ATOM 393 N CYS A 364 62.875 -1.801 3.877 1.00 0.00 N ATOM 394 CA CYS A 364 61.889 -2.894 3.825 1.00 0.00 C ATOM 395 C CYS A 364 62.119 -4.040 4.822 1.00 0.00 C ATOM 396 O CYS A 364 63.153 -4.692 4.792 1.00 0.00 O ATOM 397 CB CYS A 364 61.955 -3.485 2.465 1.00 0.00 C ATOM 398 SG CYS A 364 60.936 -4.944 2.261 1.00 0.00 S ATOM 0 H CYS A 364 62.994 -1.356 2.967 1.00 0.00 H new ATOM 0 HA CYS A 364 60.929 -2.447 4.083 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.648 -2.734 1.737 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.990 -3.742 2.240 1.00 0.00 H new ATOM 0 HG CYS A 364 60.081 -4.746 1.302 1.00 0.00 H new ATOM 403 N LYS A 365 61.099 -4.340 5.586 1.00 0.00 N ATOM 404 CA LYS A 365 61.125 -5.329 6.610 1.00 0.00 C ATOM 405 C LYS A 365 60.971 -6.722 6.062 1.00 0.00 C ATOM 406 O LYS A 365 61.582 -7.645 6.550 1.00 0.00 O ATOM 407 CB LYS A 365 59.977 -5.028 7.558 1.00 0.00 C ATOM 408 CG LYS A 365 59.813 -5.998 8.694 1.00 0.00 C ATOM 409 CD LYS A 365 58.580 -5.676 9.544 1.00 0.00 C ATOM 410 CE LYS A 365 57.271 -5.868 8.759 1.00 0.00 C ATOM 411 NZ LYS A 365 57.040 -7.293 8.398 1.00 0.00 N ATOM 0 H LYS A 365 60.194 -3.877 5.500 1.00 0.00 H new ATOM 0 HA LYS A 365 62.090 -5.293 7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 365 60.121 -4.030 7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 365 59.050 -5.005 6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 365 59.727 -7.010 8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 365 60.703 -5.976 9.322 1.00 0.00 H new ATOM 0 HD2 LYS A 365 58.571 -6.316 10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 365 58.643 -4.647 9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 365 56.434 -5.505 9.356 1.00 0.00 H new ATOM 0 HE3 LYS A 365 57.301 -5.265 7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 56.076 -7.404 8.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 57.728 -7.584 7.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 57.154 -7.888 9.243 1.00 0.00 H new ATOM 425 N THR A 366 60.214 -6.844 5.013 1.00 0.00 N ATOM 426 CA THR A 366 59.790 -8.120 4.520 1.00 0.00 C ATOM 427 C THR A 366 60.957 -8.898 3.950 1.00 0.00 C ATOM 428 O THR A 366 61.079 -10.110 4.089 1.00 0.00 O ATOM 429 CB THR A 366 58.930 -7.852 3.339 1.00 0.00 C ATOM 430 OG1 THR A 366 58.016 -6.771 3.588 1.00 0.00 O ATOM 431 CG2 THR A 366 58.240 -9.092 2.806 1.00 0.00 C ATOM 0 H THR A 366 59.870 -6.052 4.470 1.00 0.00 H new ATOM 0 HA THR A 366 59.311 -8.667 5.332 1.00 0.00 H new ATOM 0 HB THR A 366 59.596 -7.532 2.537 1.00 0.00 H new ATOM 0 HG1 THR A 366 57.466 -6.618 2.792 1.00 0.00 H new ATOM 0 HG21 THR A 366 57.628 -8.826 1.944 1.00 0.00 H new ATOM 0 HG22 THR A 366 58.989 -9.825 2.507 1.00 0.00 H new ATOM 0 HG23 THR A 366 57.606 -9.518 3.583 1.00 0.00 H new ATOM 439 N HIS A 367 61.794 -8.148 3.333 1.00 0.00 N ATOM 440 CA HIS A 367 62.804 -8.644 2.492 1.00 0.00 C ATOM 441 C HIS A 367 64.120 -8.399 3.113 1.00 0.00 C ATOM 442 O HIS A 367 64.373 -7.292 3.564 1.00 0.00 O ATOM 443 CB HIS A 367 62.706 -7.915 1.136 1.00 0.00 C ATOM 444 CG HIS A 367 61.529 -8.302 0.250 1.00 0.00 C ATOM 445 ND1 HIS A 367 60.856 -7.355 -0.493 1.00 0.00 N ATOM 446 CD2 HIS A 367 60.982 -9.526 0.023 1.00 0.00 C ATOM 447 CE1 HIS A 367 59.906 -8.054 -1.156 1.00 0.00 C ATOM 448 NE2 HIS A 367 59.956 -9.360 -0.863 1.00 0.00 N ATOM 0 H HIS A 367 61.789 -7.131 3.407 1.00 0.00 H new ATOM 0 HA HIS A 367 62.686 -9.717 2.340 1.00 0.00 H new ATOM 0 HB2 HIS A 367 62.654 -6.843 1.326 1.00 0.00 H new ATOM 0 HB3 HIS A 367 63.627 -8.097 0.582 1.00 0.00 H new ATOM 0 HD2 HIS A 367 61.301 -10.459 0.463 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.194 -7.613 -1.838 1.00 0.00 H new ATOM 0 HE2 HIS A 367 59.346 -10.090 -1.231 1.00 0.00 H new ATOM 456 N SER A 368 64.938 -9.403 3.117 1.00 0.00 N ATOM 457 CA SER A 368 66.241 -9.330 3.685 1.00 0.00 C ATOM 458 C SER A 368 67.170 -8.446 2.928 1.00 0.00 C ATOM 459 O SER A 368 67.003 -8.239 1.722 1.00 0.00 O ATOM 460 CB SER A 368 66.804 -10.709 3.930 1.00 0.00 C ATOM 461 OG SER A 368 66.665 -11.544 2.801 1.00 0.00 O ATOM 0 H SER A 368 64.712 -10.314 2.717 1.00 0.00 H new ATOM 0 HA SER A 368 66.135 -8.846 4.656 1.00 0.00 H new ATOM 0 HB2 SER A 368 67.858 -10.629 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.296 -11.162 4.781 1.00 0.00 H new ATOM 0 HG SER A 368 67.042 -12.427 2.998 1.00 0.00 H new ATOM 467 N LEU A 369 68.150 -7.917 3.654 1.00 0.00 N ATOM 468 CA LEU A 369 69.140 -6.988 3.154 1.00 0.00 C ATOM 469 C LEU A 369 69.704 -7.400 1.823 1.00 0.00 C ATOM 470 O LEU A 369 69.762 -6.576 0.890 1.00 0.00 O ATOM 471 CB LEU A 369 70.242 -6.817 4.216 1.00 0.00 C ATOM 472 CG LEU A 369 71.480 -5.929 3.885 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.509 -6.682 3.051 1.00 0.00 C ATOM 474 CD2 LEU A 369 71.045 -4.678 3.142 1.00 0.00 C ATOM 0 H LEU A 369 68.275 -8.136 4.642 1.00 0.00 H new ATOM 0 HA LEU A 369 68.655 -6.028 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 369 69.775 -6.409 5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 369 70.609 -7.811 4.472 1.00 0.00 H new ATOM 0 HG LEU A 369 71.945 -5.653 4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.356 -6.029 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 369 72.853 -7.557 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.055 -6.999 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 369 71.919 -4.066 2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 369 70.550 -4.960 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.353 -4.108 3.763 1.00 0.00 H new ATOM 486 N THR A 370 70.047 -8.653 1.700 1.00 0.00 N ATOM 487 CA THR A 370 70.691 -9.126 0.498 1.00 0.00 C ATOM 488 C THR A 370 69.771 -8.967 -0.710 1.00 0.00 C ATOM 489 O THR A 370 70.213 -8.645 -1.805 1.00 0.00 O ATOM 490 CB THR A 370 71.126 -10.582 0.645 1.00 0.00 C ATOM 491 OG1 THR A 370 71.921 -10.706 1.847 1.00 0.00 O ATOM 492 CG2 THR A 370 71.955 -10.998 -0.557 1.00 0.00 C ATOM 0 H THR A 370 69.893 -9.366 2.413 1.00 0.00 H new ATOM 0 HA THR A 370 71.581 -8.518 0.337 1.00 0.00 H new ATOM 0 HB THR A 370 70.248 -11.225 0.707 1.00 0.00 H new ATOM 0 HG1 THR A 370 72.206 -11.637 1.956 1.00 0.00 H new ATOM 0 HG21 THR A 370 72.262 -12.038 -0.445 1.00 0.00 H new ATOM 0 HG22 THR A 370 71.360 -10.891 -1.464 1.00 0.00 H new ATOM 0 HG23 THR A 370 72.839 -10.364 -0.626 1.00 0.00 H new ATOM 500 N GLN A 371 68.489 -9.061 -0.461 1.00 0.00 N ATOM 501 CA GLN A 371 67.513 -9.030 -1.530 1.00 0.00 C ATOM 502 C GLN A 371 67.359 -7.615 -2.026 1.00 0.00 C ATOM 503 O GLN A 371 67.098 -7.377 -3.198 1.00 0.00 O ATOM 504 CB GLN A 371 66.174 -9.538 -1.047 1.00 0.00 C ATOM 505 CG GLN A 371 66.282 -10.726 -0.122 1.00 0.00 C ATOM 506 CD GLN A 371 64.989 -11.456 0.060 1.00 0.00 C ATOM 507 OE1 GLN A 371 64.961 -12.665 0.274 1.00 0.00 O ATOM 508 NE2 GLN A 371 63.922 -10.736 0.011 1.00 0.00 N ATOM 0 H GLN A 371 68.093 -9.160 0.474 1.00 0.00 H new ATOM 0 HA GLN A 371 67.861 -9.674 -2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 371 65.652 -8.732 -0.531 1.00 0.00 H new ATOM 0 HB3 GLN A 371 65.565 -9.812 -1.909 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.028 -11.416 -0.515 1.00 0.00 H new ATOM 0 HG3 GLN A 371 66.640 -10.389 0.851 1.00 0.00 H new ATOM 0 HE21 GLN A 371 63.990 -9.734 -0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 371 63.009 -11.167 0.153 1.00 0.00 H new ATOM 517 N ARG A 372 67.542 -6.657 -1.122 1.00 0.00 N ATOM 518 CA ARG A 372 67.430 -5.282 -1.516 1.00 0.00 C ATOM 519 C ARG A 372 68.645 -4.870 -2.323 1.00 0.00 C ATOM 520 O ARG A 372 68.523 -4.113 -3.274 1.00 0.00 O ATOM 521 CB ARG A 372 67.279 -4.293 -0.370 1.00 0.00 C ATOM 522 CG ARG A 372 66.062 -4.416 0.514 1.00 0.00 C ATOM 523 CD ARG A 372 66.280 -5.433 1.579 1.00 0.00 C ATOM 524 NE ARG A 372 65.733 -5.030 2.843 1.00 0.00 N ATOM 525 CZ ARG A 372 66.398 -4.476 3.881 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.614 -3.965 3.734 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.808 -4.398 5.047 1.00 0.00 N ATOM 0 H ARG A 372 67.763 -6.814 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 372 66.511 -5.239 -2.100 1.00 0.00 H new ATOM 0 HB2 ARG A 372 68.162 -4.378 0.263 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.285 -3.288 -0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 372 65.838 -3.451 0.968 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.197 -4.694 -0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.827 -6.376 1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.349 -5.614 1.690 1.00 0.00 H new ATOM 0 HE ARG A 372 64.732 -5.178 2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 372 68.068 -3.985 2.821 1.00 0.00 H new ATOM 0 HH12 ARG A 372 68.094 -3.553 4.534 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.859 -4.753 5.163 1.00 0.00 H new ATOM 0 HH22 ARG A 372 66.298 -3.982 5.839 1.00 0.00 H new ATOM 541 N ARG A 373 69.830 -5.371 -1.924 1.00 0.00 N ATOM 542 CA ARG A 373 71.072 -5.031 -2.627 1.00 0.00 C ATOM 543 C ARG A 373 71.130 -5.700 -3.989 1.00 0.00 C ATOM 544 O ARG A 373 71.810 -5.232 -4.901 1.00 0.00 O ATOM 545 CB ARG A 373 72.297 -5.421 -1.805 1.00 0.00 C ATOM 546 CG ARG A 373 72.406 -4.683 -0.503 1.00 0.00 C ATOM 547 CD ARG A 373 73.678 -5.017 0.236 1.00 0.00 C ATOM 548 NE ARG A 373 74.842 -4.346 -0.328 1.00 0.00 N ATOM 549 CZ ARG A 373 76.064 -4.870 -0.454 1.00 0.00 C ATOM 550 NH1 ARG A 373 76.286 -6.160 -0.202 1.00 0.00 N ATOM 551 NH2 ARG A 373 77.056 -4.102 -0.864 1.00 0.00 N ATOM 0 H ARG A 373 69.949 -6.002 -1.131 1.00 0.00 H new ATOM 0 HA ARG A 373 71.078 -3.950 -2.768 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.264 -6.492 -1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.194 -5.235 -2.395 1.00 0.00 H new ATOM 0 HG2 ARG A 373 72.368 -3.610 -0.691 1.00 0.00 H new ATOM 0 HG3 ARG A 373 71.549 -4.927 0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.571 -4.734 1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 373 73.837 -6.095 0.212 1.00 0.00 H new ATOM 0 HE ARG A 373 74.712 -3.389 -0.656 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.517 -6.762 0.092 1.00 0.00 H new ATOM 0 HH12 ARG A 373 77.225 -6.545 -0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 373 76.885 -3.120 -1.081 1.00 0.00 H new ATOM 0 HH22 ARG A 373 77.994 -4.490 -0.964 1.00 0.00 H new ATOM 565 N ALA A 374 70.436 -6.805 -4.106 1.00 0.00 N ATOM 566 CA ALA A 374 70.372 -7.553 -5.349 1.00 0.00 C ATOM 567 C ALA A 374 69.581 -6.803 -6.422 1.00 0.00 C ATOM 568 O ALA A 374 70.046 -6.654 -7.560 1.00 0.00 O ATOM 569 CB ALA A 374 69.777 -8.927 -5.114 1.00 0.00 C ATOM 0 H ALA A 374 69.897 -7.216 -3.344 1.00 0.00 H new ATOM 0 HA ALA A 374 71.392 -7.670 -5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 374 69.737 -9.472 -6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.396 -9.475 -4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 374 68.769 -8.823 -4.712 1.00 0.00 H new ATOM 575 N VAL A 375 68.412 -6.314 -6.062 1.00 0.00 N ATOM 576 CA VAL A 375 67.563 -5.620 -7.010 1.00 0.00 C ATOM 577 C VAL A 375 68.094 -4.216 -7.320 1.00 0.00 C ATOM 578 O VAL A 375 68.366 -3.407 -6.429 1.00 0.00 O ATOM 579 CB VAL A 375 66.067 -5.570 -6.556 1.00 0.00 C ATOM 580 CG1 VAL A 375 65.901 -4.785 -5.277 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.173 -5.008 -7.654 1.00 0.00 C ATOM 0 H VAL A 375 68.028 -6.384 -5.120 1.00 0.00 H new ATOM 0 HA VAL A 375 67.593 -6.202 -7.931 1.00 0.00 H new ATOM 0 HB VAL A 375 65.756 -6.596 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.849 -4.772 -4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.486 -5.253 -4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.249 -3.763 -5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.140 -4.987 -7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.494 -3.996 -7.902 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.245 -5.639 -8.540 1.00 0.00 H new ATOM 591 N GLN A 376 68.214 -3.946 -8.586 1.00 0.00 N ATOM 592 CA GLN A 376 68.710 -2.678 -9.095 1.00 0.00 C ATOM 593 C GLN A 376 67.535 -1.734 -9.425 1.00 0.00 C ATOM 594 O GLN A 376 67.539 -1.022 -10.438 1.00 0.00 O ATOM 595 CB GLN A 376 69.593 -2.952 -10.323 1.00 0.00 C ATOM 596 CG GLN A 376 68.954 -3.869 -11.362 1.00 0.00 C ATOM 597 CD GLN A 376 69.881 -4.174 -12.516 1.00 0.00 C ATOM 598 OE1 GLN A 376 69.919 -3.451 -13.519 1.00 0.00 O ATOM 599 NE2 GLN A 376 70.624 -5.245 -12.401 1.00 0.00 N ATOM 0 H GLN A 376 67.967 -4.610 -9.320 1.00 0.00 H new ATOM 0 HA GLN A 376 69.313 -2.177 -8.338 1.00 0.00 H new ATOM 0 HB2 GLN A 376 69.841 -2.002 -10.797 1.00 0.00 H new ATOM 0 HB3 GLN A 376 70.531 -3.397 -9.990 1.00 0.00 H new ATOM 0 HG2 GLN A 376 68.656 -4.802 -10.884 1.00 0.00 H new ATOM 0 HG3 GLN A 376 68.046 -3.402 -11.744 1.00 0.00 H new ATOM 0 HE21 GLN A 376 70.566 -5.818 -11.559 1.00 0.00 H new ATOM 0 HE22 GLN A 376 71.261 -5.507 -13.153 1.00 0.00 H new ATOM 608 N GLY A 377 66.557 -1.728 -8.528 1.00 0.00 N ATOM 609 CA GLY A 377 65.342 -0.929 -8.679 1.00 0.00 C ATOM 610 C GLY A 377 65.568 0.559 -8.581 1.00 0.00 C ATOM 611 O GLY A 377 65.047 1.325 -9.389 1.00 0.00 O ATOM 0 H GLY A 377 66.582 -2.279 -7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 377 64.889 -1.154 -9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.626 -1.228 -7.914 1.00 0.00 H new ATOM 615 N ARG A 378 66.369 0.968 -7.635 1.00 0.00 N ATOM 616 CA ARG A 378 66.585 2.369 -7.372 1.00 0.00 C ATOM 617 C ARG A 378 67.541 2.927 -8.397 1.00 0.00 C ATOM 618 O ARG A 378 68.202 2.175 -9.122 1.00 0.00 O ATOM 619 CB ARG A 378 67.164 2.528 -5.993 1.00 0.00 C ATOM 620 CG ARG A 378 66.439 1.716 -4.920 1.00 0.00 C ATOM 621 CD ARG A 378 67.426 1.179 -3.953 1.00 0.00 C ATOM 622 NE ARG A 378 66.812 0.139 -3.205 1.00 0.00 N ATOM 623 CZ ARG A 378 66.781 -1.110 -3.644 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.245 -1.380 -4.849 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.298 -2.072 -2.895 1.00 0.00 N ATOM 0 H ARG A 378 66.892 0.341 -7.023 1.00 0.00 H new ATOM 0 HA ARG A 378 65.640 2.909 -7.432 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.212 2.231 -6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.137 3.582 -5.717 1.00 0.00 H new ATOM 0 HG2 ARG A 378 65.713 2.343 -4.403 1.00 0.00 H new ATOM 0 HG3 ARG A 378 65.884 0.899 -5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.302 0.800 -4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 378 67.772 1.970 -3.287 1.00 0.00 H new ATOM 0 HE ARG A 378 66.384 0.360 -2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.622 -0.631 -5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.227 -2.338 -5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 378 65.941 -1.862 -1.963 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.280 -3.030 -3.244 1.00 0.00 H new ATOM 639 N ARG A 379 67.651 4.235 -8.429 1.00 0.00 N ATOM 640 CA ARG A 379 68.486 4.929 -9.420 1.00 0.00 C ATOM 641 C ARG A 379 69.951 4.634 -9.169 1.00 0.00 C ATOM 642 O ARG A 379 70.785 4.712 -10.066 1.00 0.00 O ATOM 643 CB ARG A 379 68.266 6.442 -9.330 1.00 0.00 C ATOM 644 CG ARG A 379 66.898 6.806 -8.821 1.00 0.00 C ATOM 645 CD ARG A 379 66.521 8.242 -9.064 1.00 0.00 C ATOM 646 NE ARG A 379 67.321 9.215 -8.334 1.00 0.00 N ATOM 647 CZ ARG A 379 66.834 10.025 -7.376 1.00 0.00 C ATOM 648 NH1 ARG A 379 65.585 9.873 -6.925 1.00 0.00 N ATOM 649 NH2 ARG A 379 67.600 10.976 -6.874 1.00 0.00 N ATOM 0 H ARG A 379 67.172 4.858 -7.778 1.00 0.00 H new ATOM 0 HA ARG A 379 68.204 4.575 -10.412 1.00 0.00 H new ATOM 0 HB2 ARG A 379 69.020 6.875 -8.672 1.00 0.00 H new ATOM 0 HB3 ARG A 379 68.411 6.884 -10.316 1.00 0.00 H new ATOM 0 HG2 ARG A 379 66.160 6.161 -9.298 1.00 0.00 H new ATOM 0 HG3 ARG A 379 66.854 6.605 -7.751 1.00 0.00 H new ATOM 0 HD2 ARG A 379 66.606 8.450 -10.131 1.00 0.00 H new ATOM 0 HD3 ARG A 379 65.474 8.379 -8.795 1.00 0.00 H new ATOM 0 HE ARG A 379 68.312 9.287 -8.563 1.00 0.00 H new ATOM 0 HH11 ARG A 379 64.991 9.137 -7.307 1.00 0.00 H new ATOM 0 HH12 ARG A 379 65.226 10.493 -6.199 1.00 0.00 H new ATOM 0 HH21 ARG A 379 68.555 11.094 -7.213 1.00 0.00 H new ATOM 0 HH22 ARG A 379 67.237 11.593 -6.148 1.00 0.00 H new ATOM 663 N LYS A 380 70.249 4.281 -7.943 1.00 0.00 N ATOM 664 CA LYS A 380 71.569 4.056 -7.521 1.00 0.00 C ATOM 665 C LYS A 380 71.574 2.778 -6.718 1.00 0.00 C ATOM 666 O LYS A 380 70.516 2.136 -6.569 1.00 0.00 O ATOM 667 CB LYS A 380 72.053 5.219 -6.625 1.00 0.00 C ATOM 668 CG LYS A 380 71.169 6.466 -6.579 1.00 0.00 C ATOM 669 CD LYS A 380 69.932 6.255 -5.688 1.00 0.00 C ATOM 670 CE LYS A 380 68.932 7.402 -5.789 1.00 0.00 C ATOM 671 NZ LYS A 380 69.498 8.686 -5.330 1.00 0.00 N ATOM 0 H LYS A 380 69.551 4.145 -7.212 1.00 0.00 H new ATOM 0 HA LYS A 380 72.232 3.986 -8.383 1.00 0.00 H new ATOM 0 HB2 LYS A 380 72.162 4.842 -5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 380 73.045 5.518 -6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.749 7.309 -6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 380 70.850 6.723 -7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 380 69.441 5.324 -5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 380 70.250 6.146 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 380 68.602 7.503 -6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 380 68.050 7.164 -5.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 68.726 9.347 -5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 70.071 8.528 -4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 70.097 9.089 -6.079 1.00 0.00 H new ATOM 685 N ARG A 381 72.733 2.426 -6.213 1.00 0.00 N ATOM 686 CA ARG A 381 72.918 1.286 -5.326 1.00 0.00 C ATOM 687 C ARG A 381 72.002 1.393 -4.112 1.00 0.00 C ATOM 688 O ARG A 381 71.693 2.489 -3.644 1.00 0.00 O ATOM 689 CB ARG A 381 74.405 1.159 -4.900 1.00 0.00 C ATOM 690 CG ARG A 381 75.179 2.458 -4.909 1.00 0.00 C ATOM 691 CD ARG A 381 76.575 2.301 -4.340 1.00 0.00 C ATOM 692 NE ARG A 381 77.322 3.570 -4.384 1.00 0.00 N ATOM 693 CZ ARG A 381 78.363 3.890 -3.588 1.00 0.00 C ATOM 694 NH1 ARG A 381 78.744 3.065 -2.612 1.00 0.00 N ATOM 695 NH2 ARG A 381 79.001 5.038 -3.761 1.00 0.00 N ATOM 0 H ARG A 381 73.597 2.931 -6.408 1.00 0.00 H new ATOM 0 HA ARG A 381 72.648 0.380 -5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.446 0.734 -3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.900 0.452 -5.566 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.246 2.831 -5.931 1.00 0.00 H new ATOM 0 HG3 ARG A 381 74.636 3.206 -4.331 1.00 0.00 H new ATOM 0 HD2 ARG A 381 76.512 1.950 -3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 381 77.115 1.540 -4.903 1.00 0.00 H new ATOM 0 HE ARG A 381 77.028 4.263 -5.072 1.00 0.00 H new ATOM 0 HH11 ARG A 381 78.248 2.186 -2.464 1.00 0.00 H new ATOM 0 HH12 ARG A 381 79.532 3.313 -2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 381 78.705 5.680 -4.496 1.00 0.00 H new ATOM 0 HH22 ARG A 381 79.788 5.280 -3.159 1.00 0.00 H new ATOM 709 N PHE A 382 71.571 0.281 -3.617 1.00 0.00 N ATOM 710 CA PHE A 382 70.640 0.236 -2.513 1.00 0.00 C ATOM 711 C PHE A 382 71.196 0.853 -1.253 1.00 0.00 C ATOM 712 O PHE A 382 70.502 1.537 -0.543 1.00 0.00 O ATOM 713 CB PHE A 382 70.160 -1.194 -2.249 1.00 0.00 C ATOM 714 CG PHE A 382 69.471 -1.360 -0.916 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.291 -0.712 -0.658 1.00 0.00 C ATOM 716 CD2 PHE A 382 70.035 -2.122 0.086 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.677 -0.818 0.548 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.427 -2.221 1.305 1.00 0.00 C ATOM 719 CZ PHE A 382 68.243 -1.565 1.531 1.00 0.00 C ATOM 0 H PHE A 382 71.851 -0.637 -3.963 1.00 0.00 H new ATOM 0 HA PHE A 382 69.784 0.841 -2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.475 -1.492 -3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.014 -1.870 -2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 382 67.841 -0.105 -1.430 1.00 0.00 H new ATOM 0 HD2 PHE A 382 70.963 -2.644 -0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.741 -0.310 0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 382 69.876 -2.813 2.088 1.00 0.00 H new ATOM 0 HZ PHE A 382 67.760 -1.643 2.494 1.00 0.00 H new ATOM 729 N ASP A 383 72.420 0.634 -1.018 1.00 0.00 N ATOM 730 CA ASP A 383 73.068 1.087 0.201 1.00 0.00 C ATOM 731 C ASP A 383 73.169 2.578 0.223 1.00 0.00 C ATOM 732 O ASP A 383 73.012 3.215 1.262 1.00 0.00 O ATOM 733 CB ASP A 383 74.455 0.533 0.292 1.00 0.00 C ATOM 734 CG ASP A 383 74.510 -0.963 0.463 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.538 -1.692 -0.553 1.00 0.00 O ATOM 736 OD2 ASP A 383 74.535 -1.430 1.626 1.00 0.00 O ATOM 0 H ASP A 383 73.037 0.131 -1.656 1.00 0.00 H new ATOM 0 HA ASP A 383 72.465 0.740 1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.003 0.805 -0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 383 74.968 1.003 1.131 1.00 0.00 H new ATOM 741 N VAL A 384 73.411 3.136 -0.930 1.00 0.00 N ATOM 742 CA VAL A 384 73.567 4.554 -1.061 1.00 0.00 C ATOM 743 C VAL A 384 72.193 5.195 -0.916 1.00 0.00 C ATOM 744 O VAL A 384 72.049 6.278 -0.373 1.00 0.00 O ATOM 745 CB VAL A 384 74.218 4.890 -2.420 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.224 5.021 -3.549 1.00 0.00 C ATOM 747 CG2 VAL A 384 75.160 6.059 -2.344 1.00 0.00 C ATOM 0 H VAL A 384 73.505 2.619 -1.804 1.00 0.00 H new ATOM 0 HA VAL A 384 74.225 4.947 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 384 74.827 4.020 -2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 384 73.752 5.258 -4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 384 72.685 4.082 -3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.517 5.819 -3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.586 6.247 -3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 384 74.617 6.943 -2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.961 5.836 -1.639 1.00 0.00 H new ATOM 757 N LEU A 385 71.200 4.466 -1.381 1.00 0.00 N ATOM 758 CA LEU A 385 69.849 4.832 -1.326 1.00 0.00 C ATOM 759 C LEU A 385 69.357 4.747 0.115 1.00 0.00 C ATOM 760 O LEU A 385 68.668 5.639 0.602 1.00 0.00 O ATOM 761 CB LEU A 385 69.084 3.872 -2.256 1.00 0.00 C ATOM 762 CG LEU A 385 67.625 4.137 -2.499 1.00 0.00 C ATOM 763 CD1 LEU A 385 66.847 3.522 -1.359 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.410 5.647 -2.602 1.00 0.00 C ATOM 0 H LEU A 385 71.349 3.560 -1.825 1.00 0.00 H new ATOM 0 HA LEU A 385 69.691 5.859 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.588 3.871 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.177 2.866 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 385 67.278 3.693 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 385 65.782 3.699 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.036 2.449 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.161 3.974 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.354 5.853 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.722 6.123 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 385 68.000 6.043 -3.429 1.00 0.00 H new ATOM 776 N LEU A 386 69.710 3.673 0.788 1.00 0.00 N ATOM 777 CA LEU A 386 69.318 3.490 2.166 1.00 0.00 C ATOM 778 C LEU A 386 69.969 4.571 3.001 1.00 0.00 C ATOM 779 O LEU A 386 69.411 5.007 3.987 1.00 0.00 O ATOM 780 CB LEU A 386 69.771 2.157 2.692 1.00 0.00 C ATOM 781 CG LEU A 386 68.764 1.305 3.511 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.474 0.175 4.229 1.00 0.00 C ATOM 783 CD2 LEU A 386 67.919 2.119 4.490 1.00 0.00 C ATOM 0 H LEU A 386 70.269 2.913 0.401 1.00 0.00 H new ATOM 0 HA LEU A 386 68.231 3.540 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.098 1.558 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.647 2.327 3.317 1.00 0.00 H new ATOM 0 HG LEU A 386 68.066 0.889 2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 386 68.749 -0.408 4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 386 69.965 -0.468 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.219 0.587 4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.240 1.454 5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.572 2.622 5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.341 2.862 3.941 1.00 0.00 H new ATOM 795 N ALA A 387 71.149 5.006 2.581 1.00 0.00 N ATOM 796 CA ALA A 387 71.846 6.091 3.248 1.00 0.00 C ATOM 797 C ALA A 387 71.005 7.360 3.187 1.00 0.00 C ATOM 798 O ALA A 387 70.908 8.105 4.162 1.00 0.00 O ATOM 799 CB ALA A 387 73.189 6.318 2.603 1.00 0.00 C ATOM 0 H ALA A 387 71.644 4.620 1.777 1.00 0.00 H new ATOM 0 HA ALA A 387 72.005 5.825 4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.703 7.134 3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.787 5.410 2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 387 73.050 6.575 1.553 1.00 0.00 H new ATOM 805 N GLU A 388 70.351 7.562 2.053 1.00 0.00 N ATOM 806 CA GLU A 388 69.472 8.688 1.841 1.00 0.00 C ATOM 807 C GLU A 388 68.257 8.517 2.705 1.00 0.00 C ATOM 808 O GLU A 388 67.716 9.494 3.250 1.00 0.00 O ATOM 809 CB GLU A 388 69.055 8.737 0.391 1.00 0.00 C ATOM 810 CG GLU A 388 70.213 8.728 -0.559 1.00 0.00 C ATOM 811 CD GLU A 388 69.823 8.986 -1.964 1.00 0.00 C ATOM 812 OE1 GLU A 388 69.199 10.038 -2.228 1.00 0.00 O ATOM 813 OE2 GLU A 388 70.194 8.202 -2.853 1.00 0.00 O ATOM 0 H GLU A 388 70.421 6.938 1.249 1.00 0.00 H new ATOM 0 HA GLU A 388 69.986 9.615 2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 388 68.411 7.884 0.176 1.00 0.00 H new ATOM 0 HB3 GLU A 388 68.461 9.635 0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.936 9.481 -0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 388 70.714 7.762 -0.500 1.00 0.00 H new ATOM 820 N HIS A 389 67.829 7.262 2.837 1.00 0.00 N ATOM 821 CA HIS A 389 66.756 6.918 3.700 1.00 0.00 C ATOM 822 C HIS A 389 67.100 7.270 5.083 1.00 0.00 C ATOM 823 O HIS A 389 66.402 7.969 5.655 1.00 0.00 O ATOM 824 CB HIS A 389 66.338 5.465 3.590 1.00 0.00 C ATOM 825 CG HIS A 389 65.200 5.142 4.462 1.00 0.00 C ATOM 826 ND1 HIS A 389 63.985 5.757 4.382 1.00 0.00 N ATOM 827 CD2 HIS A 389 65.148 4.339 5.509 1.00 0.00 C ATOM 828 CE1 HIS A 389 63.246 5.347 5.369 1.00 0.00 C ATOM 829 NE2 HIS A 389 63.922 4.473 6.059 1.00 0.00 N ATOM 0 H HIS A 389 68.233 6.470 2.337 1.00 0.00 H new ATOM 0 HA HIS A 389 65.888 7.496 3.382 1.00 0.00 H new ATOM 0 HB2 HIS A 389 66.074 5.243 2.556 1.00 0.00 H new ATOM 0 HB3 HIS A 389 67.183 4.826 3.848 1.00 0.00 H new ATOM 0 HD1 HIS A 389 63.703 6.427 3.666 1.00 0.00 H new ATOM 0 HD2 HIS A 389 65.940 3.694 5.861 1.00 0.00 H new ATOM 0 HE1 HIS A 389 62.240 5.676 5.582 1.00 0.00 H new ATOM 838 N LYS A 390 68.190 6.799 5.586 1.00 0.00 N ATOM 839 CA LYS A 390 68.610 7.087 6.948 1.00 0.00 C ATOM 840 C LYS A 390 68.884 8.530 7.196 1.00 0.00 C ATOM 841 O LYS A 390 68.814 8.997 8.324 1.00 0.00 O ATOM 842 CB LYS A 390 69.712 6.194 7.329 1.00 0.00 C ATOM 843 CG LYS A 390 69.319 4.761 7.012 1.00 0.00 C ATOM 844 CD LYS A 390 68.007 4.345 7.717 1.00 0.00 C ATOM 845 CE LYS A 390 68.302 3.934 9.114 1.00 0.00 C ATOM 846 NZ LYS A 390 69.308 2.842 9.196 1.00 0.00 N ATOM 0 H LYS A 390 68.833 6.196 5.072 1.00 0.00 H new ATOM 0 HA LYS A 390 67.771 6.876 7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.619 6.464 6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 390 69.931 6.298 8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.202 4.648 5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.122 4.090 7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.301 5.175 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 390 67.537 3.523 7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.664 4.797 9.673 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.379 3.608 9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.002 2.140 9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.399 2.383 8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.228 3.238 9.478 1.00 0.00 H new ATOM 860 N ASN A 391 69.237 9.229 6.186 1.00 0.00 N ATOM 861 CA ASN A 391 69.353 10.641 6.327 1.00 0.00 C ATOM 862 C ASN A 391 67.966 11.296 6.556 1.00 0.00 C ATOM 863 O ASN A 391 67.850 12.296 7.270 1.00 0.00 O ATOM 864 CB ASN A 391 70.110 11.277 5.170 1.00 0.00 C ATOM 865 CG ASN A 391 71.605 11.341 5.402 1.00 0.00 C ATOM 866 OD1 ASN A 391 72.116 12.308 5.993 1.00 0.00 O ATOM 867 ND2 ASN A 391 72.324 10.351 4.951 1.00 0.00 N ATOM 0 H ASN A 391 69.450 8.859 5.260 1.00 0.00 H new ATOM 0 HA ASN A 391 69.952 10.831 7.218 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.914 10.710 4.260 1.00 0.00 H new ATOM 0 HB3 ASN A 391 69.730 12.285 5.006 1.00 0.00 H new ATOM 0 HD21 ASN A 391 73.336 10.356 5.079 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.874 9.572 4.470 1.00 0.00 H new ATOM 874 N LYS A 392 66.927 10.709 5.971 1.00 0.00 N ATOM 875 CA LYS A 392 65.551 11.152 6.160 1.00 0.00 C ATOM 876 C LYS A 392 64.921 10.409 7.353 1.00 0.00 C ATOM 877 O LYS A 392 64.619 10.995 8.391 1.00 0.00 O ATOM 878 CB LYS A 392 64.734 10.815 4.913 1.00 0.00 C ATOM 879 CG LYS A 392 63.275 11.149 5.062 1.00 0.00 C ATOM 880 CD LYS A 392 63.010 12.640 5.014 1.00 0.00 C ATOM 881 CE LYS A 392 61.544 12.937 5.269 1.00 0.00 C ATOM 882 NZ LYS A 392 60.649 12.248 4.304 1.00 0.00 N ATOM 0 H LYS A 392 67.017 9.907 5.348 1.00 0.00 H new ATOM 0 HA LYS A 392 65.551 12.227 6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 392 65.141 11.359 4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.838 9.753 4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.711 10.658 4.269 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.909 10.749 6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 392 63.623 13.147 5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 392 63.301 13.034 4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 392 61.285 12.631 6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 392 61.379 14.013 5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 59.687 12.635 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 61.001 12.397 3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 60.631 11.229 4.513 1.00 0.00 H new ATOM 896 N THR A 393 64.770 9.122 7.172 1.00 0.00 N ATOM 897 CA THR A 393 64.242 8.221 8.110 1.00 0.00 C ATOM 898 C THR A 393 65.343 7.230 8.494 1.00 0.00 C ATOM 899 O THR A 393 65.639 6.259 7.825 1.00 0.00 O ATOM 900 CB THR A 393 63.099 7.452 7.547 1.00 0.00 C ATOM 901 OG1 THR A 393 62.186 8.350 6.920 1.00 0.00 O ATOM 902 CG2 THR A 393 62.390 6.667 8.643 1.00 0.00 C ATOM 0 H THR A 393 65.037 8.666 6.300 1.00 0.00 H new ATOM 0 HA THR A 393 63.887 8.787 8.972 1.00 0.00 H new ATOM 0 HB THR A 393 63.478 6.745 6.809 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.434 7.844 6.547 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.557 6.111 8.212 1.00 0.00 H new ATOM 0 HG22 THR A 393 63.091 5.971 9.104 1.00 0.00 H new ATOM 0 HG23 THR A 393 62.014 7.356 9.399 1.00 0.00 H new ATOM 910 N ARG A 394 65.878 7.547 9.532 1.00 0.00 N ATOM 911 CA ARG A 394 67.003 6.995 10.214 1.00 0.00 C ATOM 912 C ARG A 394 66.564 5.844 11.114 1.00 0.00 C ATOM 913 O ARG A 394 67.303 5.384 11.964 1.00 0.00 O ATOM 914 CB ARG A 394 67.621 8.172 10.979 1.00 0.00 C ATOM 915 CG ARG A 394 68.963 7.976 11.652 1.00 0.00 C ATOM 916 CD ARG A 394 69.912 7.093 10.896 1.00 0.00 C ATOM 917 NE ARG A 394 71.251 7.108 11.494 1.00 0.00 N ATOM 918 CZ ARG A 394 71.852 6.072 12.099 1.00 0.00 C ATOM 919 NH1 ARG A 394 71.191 4.932 12.322 1.00 0.00 N ATOM 920 NH2 ARG A 394 73.107 6.190 12.514 1.00 0.00 N ATOM 0 H ARG A 394 65.508 8.338 10.058 1.00 0.00 H new ATOM 0 HA ARG A 394 67.742 6.556 9.544 1.00 0.00 H new ATOM 0 HB2 ARG A 394 67.719 9.004 10.282 1.00 0.00 H new ATOM 0 HB3 ARG A 394 66.909 8.479 11.745 1.00 0.00 H new ATOM 0 HG2 ARG A 394 69.429 8.951 11.796 1.00 0.00 H new ATOM 0 HG3 ARG A 394 68.801 7.551 12.642 1.00 0.00 H new ATOM 0 HD2 ARG A 394 69.529 6.072 10.883 1.00 0.00 H new ATOM 0 HD3 ARG A 394 69.971 7.424 9.859 1.00 0.00 H new ATOM 0 HE ARG A 394 71.772 7.984 11.446 1.00 0.00 H new ATOM 0 HH11 ARG A 394 70.218 4.842 12.031 1.00 0.00 H new ATOM 0 HH12 ARG A 394 71.660 4.152 12.783 1.00 0.00 H new ATOM 0 HH21 ARG A 394 73.611 7.066 12.373 1.00 0.00 H new ATOM 0 HH22 ARG A 394 73.568 5.405 12.974 1.00 0.00 H new