USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 842 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 514 ASN : amide:sc= 0.0439 K(o=-0.24,f=-4.9!) USER MOD Set 1.2: A 534 THR OG1 : rot 180:sc= -0.28 USER MOD Set 2.1: A 472 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 522 THR OG1 : rot -47:sc= 0.586 USER MOD Set 3.1: A 441 THR OG1 : rot 69:sc= 0.11 USER MOD Set 3.2: A 530 ASN : amide:sc= -1.65! X(o=-1.5!,f=-1.8) USER MOD Single : A 435 MET CE :methyl -144:sc= -0.142 (180deg=-0.633) USER MOD Single : A 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 453 ASN :FLIP amide:sc= -1.24 F(o=-2.6!,f=-1.2) USER MOD Single : A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 TYR OH : rot -149:sc= 0.455 USER MOD Single : A 461 HIS : +bothHN:sc= 1.44 K(o=1.4,f=-5.2!) USER MOD Single : A 463 LYS NZ :NH3+ 157:sc= 1.15 (180deg=0.751) USER MOD Single : A 464 ASN : amide:sc= 0.0492 K(o=0.049,f=-9.8!) USER MOD Single : A 473 THR OG1 : rot 95:sc= 0.339 USER MOD Single : A 474 LYS NZ :NH3+ -140:sc= 1.09 (180deg=-0.272!) USER MOD Single : A 478 TYR OH : rot 37:sc= 0.489 USER MOD Single : A 480 ASN : amide:sc= -0.459 K(o=-0.46,f=-4.6!) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 TYR OH : rot 27:sc= -0.137 USER MOD Single : A 485 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 486 ASN : amide:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 488 THR OG1 : rot 180:sc= 0 USER MOD Single : A 490 SER OG : rot 180:sc= -0.34 USER MOD Single : A 494 LYS NZ :NH3+ 171:sc=-0.00359 (180deg=-0.125) USER MOD Single : A 497 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 502 SER OG : rot 44:sc= 0.429 USER MOD Single : A 504 THR OG1 : rot 180:sc= -0.0587 USER MOD Single : A 506 THR OG1 : rot 180:sc= 0 USER MOD Single : A 507 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 510 MET CE :methyl -131:sc= -0.0376 (180deg=-1.51!) USER MOD Single : A 511 TYR OH : rot 43:sc= 0.511 USER MOD Single : A 516 THR OG1 : rot 80:sc= 0 USER MOD Single : A 521 ASN : amide:sc= 0 X(o=0,f=0.084) USER MOD Single : A 527 ASN : amide:sc= 0.964 K(o=0.96,f=0) USER MOD Single : A 529 ASN : amide:sc= -0.446 K(o=-0.45,f=-3.7!) USER MOD Single : A 531 ASN : amide:sc= 0.243 X(o=0.24,f=0.092) USER MOD Single : A 538 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 435 -8.644 16.589 21.298 1.00 12.22 N ATOM 2 CA MET A 435 -8.525 16.512 19.816 1.00 43.33 C ATOM 3 C MET A 435 -7.922 15.172 19.374 1.00 5.02 C ATOM 4 O MET A 435 -6.712 14.960 19.470 1.00 74.12 O ATOM 5 CB MET A 435 -7.663 17.666 19.277 1.00 54.02 C ATOM 6 CG MET A 435 -8.293 19.045 19.425 1.00 52.31 C ATOM 7 SD MET A 435 -7.275 20.349 18.697 1.00 30.12 S ATOM 8 CE MET A 435 -5.762 20.186 19.648 1.00 55.33 C ATOM 0 HA MET A 435 -9.531 16.594 19.405 1.00 43.33 H new ATOM 0 HB2 MET A 435 -6.705 17.660 19.796 1.00 54.02 H new ATOM 0 HB3 MET A 435 -7.455 17.486 18.222 1.00 54.02 H new ATOM 0 HG2 MET A 435 -9.274 19.046 18.950 1.00 52.31 H new ATOM 0 HG3 MET A 435 -8.450 19.258 20.482 1.00 52.31 H new ATOM 0 HE1 MET A 435 -5.331 21.173 19.818 1.00 55.33 H new ATOM 0 HE2 MET A 435 -5.984 19.717 20.607 1.00 55.33 H new ATOM 0 HE3 MET A 435 -5.051 19.569 19.098 1.00 55.33 H new ATOM 20 N GLU A 436 -8.774 14.270 18.894 1.00 45.03 N ATOM 21 CA GLU A 436 -8.325 12.964 18.409 1.00 20.45 C ATOM 22 C GLU A 436 -7.952 13.045 16.927 1.00 33.41 C ATOM 23 O GLU A 436 -8.778 13.402 16.086 1.00 21.11 O ATOM 24 CB GLU A 436 -9.415 11.893 18.612 1.00 60.54 C ATOM 25 CG GLU A 436 -9.788 11.630 20.071 1.00 3.01 C ATOM 26 CD GLU A 436 -10.529 12.793 20.718 1.00 43.55 C ATOM 27 OE1 GLU A 436 -11.757 12.907 20.509 1.00 14.24 O ATOM 28 OE2 GLU A 436 -9.890 13.597 21.433 1.00 1.14 O ATOM 0 H GLU A 436 -9.781 14.418 18.830 1.00 45.03 H new ATOM 0 HA GLU A 436 -7.446 12.678 18.986 1.00 20.45 H new ATOM 0 HB2 GLU A 436 -10.311 12.199 18.072 1.00 60.54 H new ATOM 0 HB3 GLU A 436 -9.076 10.959 18.164 1.00 60.54 H new ATOM 0 HG2 GLU A 436 -10.409 10.736 20.125 1.00 3.01 H new ATOM 0 HG3 GLU A 436 -8.881 11.423 20.640 1.00 3.01 H new ATOM 35 N PHE A 437 -6.704 12.730 16.610 1.00 52.30 N ATOM 36 CA PHE A 437 -6.245 12.723 15.221 1.00 71.40 C ATOM 37 C PHE A 437 -5.915 11.295 14.773 1.00 74.34 C ATOM 38 O PHE A 437 -5.268 10.544 15.503 1.00 43.45 O ATOM 39 CB PHE A 437 -5.021 13.630 15.048 1.00 70.03 C ATOM 40 CG PHE A 437 -5.295 15.079 15.365 1.00 62.05 C ATOM 41 CD1 PHE A 437 -6.009 15.873 14.477 1.00 11.10 C ATOM 42 CD2 PHE A 437 -4.843 15.646 16.548 1.00 3.22 C ATOM 43 CE1 PHE A 437 -6.263 17.200 14.765 1.00 22.33 C ATOM 44 CE2 PHE A 437 -5.095 16.973 16.839 1.00 13.33 C ATOM 45 CZ PHE A 437 -5.808 17.750 15.947 1.00 40.23 C ATOM 0 H PHE A 437 -5.989 12.476 17.292 1.00 52.30 H new ATOM 0 HA PHE A 437 -7.050 13.109 14.595 1.00 71.40 H new ATOM 0 HB2 PHE A 437 -4.219 13.271 15.693 1.00 70.03 H new ATOM 0 HB3 PHE A 437 -4.664 13.552 14.021 1.00 70.03 H new ATOM 0 HD1 PHE A 437 -6.369 15.449 13.552 1.00 11.10 H new ATOM 0 HD2 PHE A 437 -4.287 15.042 17.250 1.00 3.22 H new ATOM 0 HE1 PHE A 437 -6.818 17.808 14.065 1.00 22.33 H new ATOM 0 HE2 PHE A 437 -4.735 17.402 17.762 1.00 13.33 H new ATOM 0 HZ PHE A 437 -6.009 18.787 16.174 1.00 40.23 H new ATOM 55 N PRO A 438 -6.369 10.898 13.573 1.00 75.53 N ATOM 56 CA PRO A 438 -6.138 9.547 13.044 1.00 62.20 C ATOM 57 C PRO A 438 -4.680 9.313 12.628 1.00 22.12 C ATOM 58 O PRO A 438 -3.840 10.209 12.724 1.00 13.15 O ATOM 59 CB PRO A 438 -7.080 9.472 11.838 1.00 14.23 C ATOM 60 CG PRO A 438 -7.224 10.884 11.384 1.00 74.53 C ATOM 61 CD PRO A 438 -7.136 11.735 12.625 1.00 55.02 C ATOM 0 HA PRO A 438 -6.329 8.778 13.792 1.00 62.20 H new ATOM 0 HB2 PRO A 438 -6.666 8.843 11.050 1.00 14.23 H new ATOM 0 HB3 PRO A 438 -8.044 9.044 12.114 1.00 14.23 H new ATOM 0 HG2 PRO A 438 -6.439 11.147 10.675 1.00 74.53 H new ATOM 0 HG3 PRO A 438 -8.176 11.034 10.875 1.00 74.53 H new ATOM 0 HD2 PRO A 438 -6.631 12.680 12.427 1.00 55.02 H new ATOM 0 HD3 PRO A 438 -8.125 11.977 13.015 1.00 55.02 H new ATOM 69 N ASP A 439 -4.378 8.087 12.223 1.00 3.31 N ATOM 70 CA ASP A 439 -3.048 7.748 11.716 1.00 33.53 C ATOM 71 C ASP A 439 -3.151 6.588 10.715 1.00 31.33 C ATOM 72 O ASP A 439 -3.009 5.417 11.080 1.00 70.03 O ATOM 73 CB ASP A 439 -2.110 7.396 12.881 1.00 21.21 C ATOM 74 CG ASP A 439 -0.644 7.379 12.473 1.00 11.32 C ATOM 75 OD1 ASP A 439 -0.053 8.466 12.335 1.00 35.11 O ATOM 76 OD2 ASP A 439 -0.073 6.280 12.306 1.00 22.51 O ATOM 0 H ASP A 439 -5.035 7.307 12.234 1.00 3.31 H new ATOM 0 HA ASP A 439 -2.629 8.610 11.197 1.00 33.53 H new ATOM 0 HB2 ASP A 439 -2.250 8.118 13.685 1.00 21.21 H new ATOM 0 HB3 ASP A 439 -2.383 6.419 13.279 1.00 21.21 H new ATOM 81 N LEU A 440 -3.461 6.922 9.464 1.00 0.34 N ATOM 82 CA LEU A 440 -3.642 5.924 8.409 1.00 5.11 C ATOM 83 C LEU A 440 -2.296 5.511 7.802 1.00 34.44 C ATOM 84 O LEU A 440 -1.744 6.205 6.948 1.00 73.34 O ATOM 85 CB LEU A 440 -4.566 6.468 7.309 1.00 62.13 C ATOM 86 CG LEU A 440 -5.970 6.891 7.769 1.00 52.14 C ATOM 87 CD1 LEU A 440 -6.741 7.538 6.622 1.00 11.20 C ATOM 88 CD2 LEU A 440 -6.736 5.698 8.335 1.00 71.04 C ATOM 0 H LEU A 440 -3.593 7.884 9.153 1.00 0.34 H new ATOM 0 HA LEU A 440 -4.101 5.044 8.858 1.00 5.11 H new ATOM 0 HB2 LEU A 440 -4.081 7.327 6.845 1.00 62.13 H new ATOM 0 HB3 LEU A 440 -4.671 5.705 6.537 1.00 62.13 H new ATOM 0 HG LEU A 440 -5.861 7.630 8.563 1.00 52.14 H new ATOM 0 HD11 LEU A 440 -7.732 7.830 6.969 1.00 11.20 H new ATOM 0 HD12 LEU A 440 -6.204 8.420 6.274 1.00 11.20 H new ATOM 0 HD13 LEU A 440 -6.839 6.826 5.802 1.00 11.20 H new ATOM 0 HD21 LEU A 440 -7.727 6.020 8.654 1.00 71.04 H new ATOM 0 HD22 LEU A 440 -6.834 4.931 7.567 1.00 71.04 H new ATOM 0 HD23 LEU A 440 -6.195 5.290 9.188 1.00 71.04 H new ATOM 100 N THR A 441 -1.774 4.377 8.247 1.00 10.34 N ATOM 101 CA THR A 441 -0.506 3.857 7.731 1.00 25.41 C ATOM 102 C THR A 441 -0.706 2.513 7.027 1.00 44.42 C ATOM 103 O THR A 441 -1.606 1.741 7.372 1.00 35.44 O ATOM 104 CB THR A 441 0.550 3.703 8.850 1.00 24.01 C ATOM 105 OG1 THR A 441 1.764 3.147 8.321 1.00 51.13 O ATOM 106 CG2 THR A 441 0.040 2.826 9.988 1.00 35.34 C ATOM 0 H THR A 441 -2.206 3.795 8.965 1.00 10.34 H new ATOM 0 HA THR A 441 -0.139 4.587 7.009 1.00 25.41 H new ATOM 0 HB THR A 441 0.749 4.698 9.248 1.00 24.01 H new ATOM 0 HG1 THR A 441 2.192 3.800 7.729 1.00 51.13 H new ATOM 0 HG21 THR A 441 0.810 2.741 10.755 1.00 35.34 H new ATOM 0 HG22 THR A 441 -0.855 3.274 10.420 1.00 35.34 H new ATOM 0 HG23 THR A 441 -0.200 1.835 9.604 1.00 35.34 H new ATOM 114 N VAL A 442 0.128 2.242 6.031 1.00 12.11 N ATOM 115 CA VAL A 442 0.012 1.021 5.229 1.00 2.01 C ATOM 116 C VAL A 442 1.301 0.184 5.299 1.00 24.24 C ATOM 117 O VAL A 442 2.395 0.724 5.452 1.00 63.43 O ATOM 118 CB VAL A 442 -0.315 1.364 3.749 1.00 63.02 C ATOM 119 CG1 VAL A 442 -1.625 2.143 3.646 1.00 54.03 C ATOM 120 CG2 VAL A 442 0.823 2.155 3.111 1.00 15.32 C ATOM 0 H VAL A 442 0.897 2.852 5.755 1.00 12.11 H new ATOM 0 HA VAL A 442 -0.805 0.431 5.645 1.00 2.01 H new ATOM 0 HB VAL A 442 -0.430 0.426 3.207 1.00 63.02 H new ATOM 0 HG11 VAL A 442 -1.831 2.371 2.600 1.00 54.03 H new ATOM 0 HG12 VAL A 442 -2.438 1.543 4.054 1.00 54.03 H new ATOM 0 HG13 VAL A 442 -1.541 3.072 4.210 1.00 54.03 H new ATOM 0 HG21 VAL A 442 0.571 2.384 2.075 1.00 15.32 H new ATOM 0 HG22 VAL A 442 0.974 3.084 3.661 1.00 15.32 H new ATOM 0 HG23 VAL A 442 1.738 1.564 3.140 1.00 15.32 H new ATOM 130 N GLU A 443 1.165 -1.137 5.206 1.00 1.20 N ATOM 131 CA GLU A 443 2.323 -2.046 5.229 1.00 31.41 C ATOM 132 C GLU A 443 2.275 -3.045 4.061 1.00 63.10 C ATOM 133 O GLU A 443 1.348 -3.849 3.961 1.00 71.25 O ATOM 134 CB GLU A 443 2.377 -2.816 6.563 1.00 60.22 C ATOM 135 CG GLU A 443 2.658 -1.940 7.785 1.00 43.11 C ATOM 136 CD GLU A 443 2.748 -2.741 9.080 1.00 4.35 C ATOM 137 OE1 GLU A 443 3.790 -3.393 9.311 1.00 53.44 O ATOM 138 OE2 GLU A 443 1.782 -2.725 9.874 1.00 54.04 O ATOM 0 H GLU A 443 0.265 -1.608 5.114 1.00 1.20 H new ATOM 0 HA GLU A 443 3.220 -1.436 5.125 1.00 31.41 H new ATOM 0 HB2 GLU A 443 1.428 -3.331 6.710 1.00 60.22 H new ATOM 0 HB3 GLU A 443 3.149 -3.583 6.495 1.00 60.22 H new ATOM 0 HG2 GLU A 443 3.592 -1.400 7.632 1.00 43.11 H new ATOM 0 HG3 GLU A 443 1.870 -1.193 7.880 1.00 43.11 H new ATOM 145 N ILE A 444 3.273 -2.987 3.178 1.00 23.41 N ATOM 146 CA ILE A 444 3.378 -3.942 2.065 1.00 3.34 C ATOM 147 C ILE A 444 4.250 -5.139 2.466 1.00 63.11 C ATOM 148 O ILE A 444 5.354 -4.962 2.989 1.00 21.25 O ATOM 149 CB ILE A 444 3.987 -3.290 0.798 1.00 52.31 C ATOM 150 CG1 ILE A 444 3.209 -2.022 0.406 1.00 32.20 C ATOM 151 CG2 ILE A 444 4.005 -4.290 -0.362 1.00 3.44 C ATOM 152 CD1 ILE A 444 3.791 -1.300 -0.794 1.00 23.44 C ATOM 0 H ILE A 444 4.020 -2.293 3.208 1.00 23.41 H new ATOM 0 HA ILE A 444 2.365 -4.272 1.836 1.00 3.34 H new ATOM 0 HB ILE A 444 5.014 -3.001 1.023 1.00 52.31 H new ATOM 0 HG12 ILE A 444 2.175 -2.292 0.191 1.00 32.20 H new ATOM 0 HG13 ILE A 444 3.190 -1.340 1.256 1.00 32.20 H new ATOM 0 HG21 ILE A 444 4.436 -3.816 -1.244 1.00 3.44 H new ATOM 0 HG22 ILE A 444 4.606 -5.157 -0.086 1.00 3.44 H new ATOM 0 HG23 ILE A 444 2.987 -4.610 -0.583 1.00 3.44 H new ATOM 0 HD11 ILE A 444 3.192 -0.416 -1.013 1.00 23.44 H new ATOM 0 HD12 ILE A 444 4.816 -0.999 -0.576 1.00 23.44 H new ATOM 0 HD13 ILE A 444 3.785 -1.965 -1.657 1.00 23.44 H new ATOM 164 N LYS A 445 3.762 -6.349 2.218 1.00 54.00 N ATOM 165 CA LYS A 445 4.478 -7.564 2.622 1.00 64.24 C ATOM 166 C LYS A 445 4.334 -8.675 1.563 1.00 5.13 C ATOM 167 O LYS A 445 3.291 -8.795 0.920 1.00 64.43 O ATOM 168 CB LYS A 445 3.938 -8.031 3.985 1.00 12.21 C ATOM 169 CG LYS A 445 4.945 -8.813 4.821 1.00 44.30 C ATOM 170 CD LYS A 445 4.420 -9.067 6.233 1.00 70.22 C ATOM 171 CE LYS A 445 5.504 -9.608 7.152 1.00 24.24 C ATOM 172 NZ LYS A 445 4.995 -9.858 8.525 1.00 74.32 N ATOM 0 H LYS A 445 2.877 -6.520 1.741 1.00 54.00 H new ATOM 0 HA LYS A 445 5.541 -7.341 2.709 1.00 64.24 H new ATOM 0 HB2 LYS A 445 3.611 -7.159 4.552 1.00 12.21 H new ATOM 0 HB3 LYS A 445 3.058 -8.653 3.821 1.00 12.21 H new ATOM 0 HG2 LYS A 445 5.162 -9.764 4.335 1.00 44.30 H new ATOM 0 HG3 LYS A 445 5.883 -8.261 4.874 1.00 44.30 H new ATOM 0 HD2 LYS A 445 4.024 -8.139 6.646 1.00 70.22 H new ATOM 0 HD3 LYS A 445 3.593 -9.776 6.191 1.00 70.22 H new ATOM 0 HE2 LYS A 445 5.901 -10.535 6.738 1.00 24.24 H new ATOM 0 HE3 LYS A 445 6.330 -8.898 7.195 1.00 24.24 H new ATOM 0 HZ1 LYS A 445 5.765 -10.226 9.119 1.00 74.32 H new ATOM 0 HZ2 LYS A 445 4.639 -8.969 8.931 1.00 74.32 H new ATOM 0 HZ3 LYS A 445 4.224 -10.554 8.488 1.00 74.32 H new ATOM 186 N GLY A 446 5.390 -9.471 1.375 1.00 63.13 N ATOM 187 CA GLY A 446 5.352 -10.554 0.390 1.00 25.35 C ATOM 188 C GLY A 446 6.736 -10.957 -0.123 1.00 74.43 C ATOM 189 O GLY A 446 7.747 -10.700 0.536 1.00 71.43 O ATOM 0 H GLY A 446 6.270 -9.388 1.884 1.00 63.13 H new ATOM 0 HA2 GLY A 446 4.870 -11.424 0.836 1.00 25.35 H new ATOM 0 HA3 GLY A 446 4.735 -10.246 -0.454 1.00 25.35 H new ATOM 193 N PRO A 447 6.814 -11.613 -1.302 1.00 44.35 N ATOM 194 CA PRO A 447 8.098 -12.038 -1.902 1.00 43.42 C ATOM 195 C PRO A 447 8.920 -10.865 -2.473 1.00 71.24 C ATOM 196 O PRO A 447 8.389 -10.009 -3.183 1.00 52.31 O ATOM 197 CB PRO A 447 7.657 -12.985 -3.025 1.00 51.23 C ATOM 198 CG PRO A 447 6.300 -12.498 -3.414 1.00 34.32 C ATOM 199 CD PRO A 447 5.660 -12.003 -2.141 1.00 44.41 C ATOM 0 HA PRO A 447 8.757 -12.494 -1.164 1.00 43.42 H new ATOM 0 HB2 PRO A 447 8.348 -12.950 -3.868 1.00 51.23 H new ATOM 0 HB3 PRO A 447 7.624 -14.019 -2.682 1.00 51.23 H new ATOM 0 HG2 PRO A 447 6.368 -11.700 -4.153 1.00 34.32 H new ATOM 0 HG3 PRO A 447 5.711 -13.298 -3.862 1.00 34.32 H new ATOM 0 HD2 PRO A 447 4.996 -11.159 -2.328 1.00 44.41 H new ATOM 0 HD3 PRO A 447 5.062 -12.780 -1.664 1.00 44.41 H new ATOM 207 N ASP A 448 10.219 -10.841 -2.175 1.00 12.44 N ATOM 208 CA ASP A 448 11.097 -9.745 -2.611 1.00 73.43 C ATOM 209 C ASP A 448 11.782 -10.041 -3.962 1.00 54.23 C ATOM 210 O ASP A 448 12.244 -9.129 -4.645 1.00 40.23 O ATOM 211 CB ASP A 448 12.145 -9.457 -1.528 1.00 45.10 C ATOM 212 CG ASP A 448 13.002 -10.670 -1.204 1.00 52.44 C ATOM 213 OD1 ASP A 448 12.454 -11.678 -0.715 1.00 64.21 O ATOM 214 OD2 ASP A 448 14.227 -10.623 -1.435 1.00 73.52 O ATOM 0 H ASP A 448 10.690 -11.566 -1.634 1.00 12.44 H new ATOM 0 HA ASP A 448 10.474 -8.863 -2.760 1.00 73.43 H new ATOM 0 HB2 ASP A 448 12.788 -8.641 -1.858 1.00 45.10 H new ATOM 0 HB3 ASP A 448 11.642 -9.120 -0.622 1.00 45.10 H new ATOM 219 N VAL A 449 11.854 -11.315 -4.345 1.00 71.43 N ATOM 220 CA VAL A 449 12.458 -11.711 -5.629 1.00 64.44 C ATOM 221 C VAL A 449 11.511 -12.611 -6.435 1.00 71.22 C ATOM 222 O VAL A 449 11.038 -13.633 -5.939 1.00 4.44 O ATOM 223 CB VAL A 449 13.812 -12.446 -5.425 1.00 51.41 C ATOM 224 CG1 VAL A 449 14.387 -12.920 -6.761 1.00 73.41 C ATOM 225 CG2 VAL A 449 14.811 -11.544 -4.700 1.00 75.31 C ATOM 0 H VAL A 449 11.503 -12.095 -3.789 1.00 71.43 H new ATOM 0 HA VAL A 449 12.639 -10.791 -6.185 1.00 64.44 H new ATOM 0 HB VAL A 449 13.628 -13.324 -4.806 1.00 51.41 H new ATOM 0 HG11 VAL A 449 15.334 -13.431 -6.589 1.00 73.41 H new ATOM 0 HG12 VAL A 449 13.686 -13.606 -7.236 1.00 73.41 H new ATOM 0 HG13 VAL A 449 14.551 -12.061 -7.412 1.00 73.41 H new ATOM 0 HG21 VAL A 449 15.752 -12.077 -4.567 1.00 75.31 H new ATOM 0 HG22 VAL A 449 14.984 -10.644 -5.290 1.00 75.31 H new ATOM 0 HG23 VAL A 449 14.410 -11.267 -3.725 1.00 75.31 H new ATOM 235 N VAL A 450 11.235 -12.218 -7.678 1.00 71.41 N ATOM 236 CA VAL A 450 10.350 -12.985 -8.567 1.00 55.35 C ATOM 237 C VAL A 450 10.941 -13.098 -9.983 1.00 34.54 C ATOM 238 O VAL A 450 11.829 -12.332 -10.363 1.00 75.11 O ATOM 239 CB VAL A 450 8.935 -12.345 -8.657 1.00 54.05 C ATOM 240 CG1 VAL A 450 8.244 -12.350 -7.293 1.00 63.00 C ATOM 241 CG2 VAL A 450 9.015 -10.928 -9.220 1.00 4.05 C ATOM 0 H VAL A 450 11.612 -11.368 -8.098 1.00 71.41 H new ATOM 0 HA VAL A 450 10.261 -13.981 -8.134 1.00 55.35 H new ATOM 0 HB VAL A 450 8.336 -12.948 -9.340 1.00 54.05 H new ATOM 0 HG11 VAL A 450 7.257 -11.897 -7.384 1.00 63.00 H new ATOM 0 HG12 VAL A 450 8.141 -13.376 -6.941 1.00 63.00 H new ATOM 0 HG13 VAL A 450 8.841 -11.780 -6.581 1.00 63.00 H new ATOM 0 HG21 VAL A 450 8.014 -10.501 -9.274 1.00 4.05 H new ATOM 0 HG22 VAL A 450 9.638 -10.313 -8.570 1.00 4.05 H new ATOM 0 HG23 VAL A 450 9.451 -10.957 -10.219 1.00 4.05 H new ATOM 251 N GLY A 451 10.453 -14.062 -10.759 1.00 64.53 N ATOM 252 CA GLY A 451 10.904 -14.219 -12.140 1.00 63.54 C ATOM 253 C GLY A 451 9.990 -13.529 -13.148 1.00 21.22 C ATOM 254 O GLY A 451 8.866 -13.136 -12.822 1.00 65.14 O ATOM 0 H GLY A 451 9.752 -14.740 -10.460 1.00 64.53 H new ATOM 0 HA2 GLY A 451 11.912 -13.815 -12.235 1.00 63.54 H new ATOM 0 HA3 GLY A 451 10.963 -15.281 -12.379 1.00 63.54 H new ATOM 258 N VAL A 452 10.463 -13.383 -14.382 1.00 73.43 N ATOM 259 CA VAL A 452 9.674 -12.748 -15.439 1.00 61.24 C ATOM 260 C VAL A 452 8.486 -13.637 -15.867 1.00 73.01 C ATOM 261 O VAL A 452 8.613 -14.858 -15.973 1.00 10.24 O ATOM 262 CB VAL A 452 10.557 -12.413 -16.670 1.00 23.14 C ATOM 263 CG1 VAL A 452 11.073 -13.684 -17.340 1.00 5.20 C ATOM 264 CG2 VAL A 452 9.799 -11.536 -17.664 1.00 4.21 C ATOM 0 H VAL A 452 11.388 -13.695 -14.677 1.00 73.43 H new ATOM 0 HA VAL A 452 9.277 -11.819 -15.031 1.00 61.24 H new ATOM 0 HB VAL A 452 11.421 -11.850 -16.318 1.00 23.14 H new ATOM 0 HG11 VAL A 452 11.689 -13.418 -18.199 1.00 5.20 H new ATOM 0 HG12 VAL A 452 11.670 -14.254 -16.628 1.00 5.20 H new ATOM 0 HG13 VAL A 452 10.229 -14.289 -17.672 1.00 5.20 H new ATOM 0 HG21 VAL A 452 10.440 -11.316 -18.517 1.00 4.21 H new ATOM 0 HG22 VAL A 452 8.907 -12.061 -18.006 1.00 4.21 H new ATOM 0 HG23 VAL A 452 9.508 -10.604 -17.179 1.00 4.21 H new ATOM 274 N ASN A 453 7.331 -13.007 -16.095 1.00 23.32 N ATOM 275 CA ASN A 453 6.091 -13.715 -16.458 1.00 12.43 C ATOM 276 C ASN A 453 5.608 -14.654 -15.336 1.00 20.03 C ATOM 277 O ASN A 453 4.791 -15.547 -15.573 1.00 34.35 O ATOM 278 CB ASN A 453 6.261 -14.491 -17.773 1.00 43.40 C ATOM 279 CG ASN A 453 6.405 -13.574 -18.972 1.00 23.52 C ATOM 280 OD1 ASN A 453 7.626 -13.245 -19.331 1.00 32.44 O flip ATOM 281 ND2 ASN A 453 5.419 -13.175 -19.585 1.00 21.03 N flip ATOM 0 H ASN A 453 7.224 -11.994 -16.035 1.00 23.32 H new ATOM 0 HA ASN A 453 5.324 -12.954 -16.600 1.00 12.43 H new ATOM 0 HB2 ASN A 453 7.140 -15.132 -17.702 1.00 43.40 H new ATOM 0 HB3 ASN A 453 5.401 -15.144 -17.920 1.00 43.40 H new ATOM 0 HD21 ASN A 453 4.484 -13.448 -19.281 1.00 21.03 H new ATOM 0 HD22 ASN A 453 5.534 -12.570 -20.398 1.00 21.03 H new ATOM 288 N LYS A 454 6.106 -14.440 -14.119 1.00 1.15 N ATOM 289 CA LYS A 454 5.640 -15.184 -12.943 1.00 15.10 C ATOM 290 C LYS A 454 4.552 -14.401 -12.199 1.00 21.24 C ATOM 291 O LYS A 454 4.528 -13.173 -12.228 1.00 70.55 O ATOM 292 CB LYS A 454 6.809 -15.477 -11.989 1.00 42.33 C ATOM 293 CG LYS A 454 7.852 -16.436 -12.554 1.00 31.11 C ATOM 294 CD LYS A 454 7.262 -17.813 -12.854 1.00 64.13 C ATOM 295 CE LYS A 454 6.617 -18.444 -11.620 1.00 44.04 C ATOM 296 NZ LYS A 454 6.153 -19.833 -11.884 1.00 4.11 N ATOM 0 H LYS A 454 6.835 -13.755 -13.918 1.00 1.15 H new ATOM 0 HA LYS A 454 5.220 -16.128 -13.291 1.00 15.10 H new ATOM 0 HB2 LYS A 454 7.298 -14.537 -11.732 1.00 42.33 H new ATOM 0 HB3 LYS A 454 6.412 -15.894 -11.063 1.00 42.33 H new ATOM 0 HG2 LYS A 454 8.274 -16.016 -13.467 1.00 31.11 H new ATOM 0 HG3 LYS A 454 8.671 -16.540 -11.843 1.00 31.11 H new ATOM 0 HD2 LYS A 454 6.518 -17.723 -13.646 1.00 64.13 H new ATOM 0 HD3 LYS A 454 8.048 -18.470 -13.228 1.00 64.13 H new ATOM 0 HE2 LYS A 454 7.334 -18.451 -10.799 1.00 44.04 H new ATOM 0 HE3 LYS A 454 5.772 -17.834 -11.300 1.00 44.04 H new ATOM 0 HZ1 LYS A 454 5.722 -20.225 -11.022 1.00 4.11 H new ATOM 0 HZ2 LYS A 454 5.450 -19.824 -12.650 1.00 4.11 H new ATOM 0 HZ3 LYS A 454 6.963 -20.422 -12.164 1.00 4.11 H new ATOM 310 N LEU A 455 3.651 -15.114 -11.535 1.00 12.22 N ATOM 311 CA LEU A 455 2.575 -14.475 -10.772 1.00 64.12 C ATOM 312 C LEU A 455 2.946 -14.362 -9.286 1.00 31.34 C ATOM 313 O LEU A 455 3.170 -15.371 -8.615 1.00 32.01 O ATOM 314 CB LEU A 455 1.276 -15.275 -10.921 1.00 40.13 C ATOM 315 CG LEU A 455 0.032 -14.620 -10.299 1.00 12.55 C ATOM 316 CD1 LEU A 455 -0.231 -13.261 -10.937 1.00 20.31 C ATOM 317 CD2 LEU A 455 -1.185 -15.528 -10.439 1.00 15.31 C ATOM 0 H LEU A 455 3.640 -16.134 -11.506 1.00 12.22 H new ATOM 0 HA LEU A 455 2.429 -13.471 -11.169 1.00 64.12 H new ATOM 0 HB2 LEU A 455 1.089 -15.440 -11.982 1.00 40.13 H new ATOM 0 HB3 LEU A 455 1.417 -16.255 -10.466 1.00 40.13 H new ATOM 0 HG LEU A 455 0.220 -14.469 -9.236 1.00 12.55 H new ATOM 0 HD11 LEU A 455 -1.115 -12.812 -10.485 1.00 20.31 H new ATOM 0 HD12 LEU A 455 0.629 -12.611 -10.776 1.00 20.31 H new ATOM 0 HD13 LEU A 455 -0.395 -13.387 -12.007 1.00 20.31 H new ATOM 0 HD21 LEU A 455 -2.053 -15.044 -9.992 1.00 15.31 H new ATOM 0 HD22 LEU A 455 -1.378 -15.717 -11.495 1.00 15.31 H new ATOM 0 HD23 LEU A 455 -0.994 -16.473 -9.930 1.00 15.31 H new ATOM 329 N ALA A 456 3.012 -13.137 -8.777 1.00 62.42 N ATOM 330 CA ALA A 456 3.352 -12.901 -7.370 1.00 50.22 C ATOM 331 C ALA A 456 2.171 -12.299 -6.593 1.00 34.24 C ATOM 332 O ALA A 456 1.504 -11.376 -7.069 1.00 30.35 O ATOM 333 CB ALA A 456 4.572 -11.992 -7.270 1.00 73.22 C ATOM 0 H ALA A 456 2.835 -12.288 -9.314 1.00 62.42 H new ATOM 0 HA ALA A 456 3.585 -13.865 -6.918 1.00 50.22 H new ATOM 0 HB1 ALA A 456 4.815 -11.824 -6.221 1.00 73.22 H new ATOM 0 HB2 ALA A 456 5.419 -12.464 -7.768 1.00 73.22 H new ATOM 0 HB3 ALA A 456 4.355 -11.038 -7.750 1.00 73.22 H new ATOM 339 N GLU A 457 1.916 -12.834 -5.400 1.00 32.51 N ATOM 340 CA GLU A 457 0.844 -12.339 -4.525 1.00 72.02 C ATOM 341 C GLU A 457 1.412 -11.597 -3.305 1.00 71.41 C ATOM 342 O GLU A 457 2.287 -12.106 -2.604 1.00 73.34 O ATOM 343 CB GLU A 457 -0.054 -13.506 -4.071 1.00 23.14 C ATOM 344 CG GLU A 457 -1.104 -13.907 -5.106 1.00 12.44 C ATOM 345 CD GLU A 457 -1.841 -15.190 -4.747 1.00 41.44 C ATOM 346 OE1 GLU A 457 -2.756 -15.140 -3.898 1.00 44.51 O ATOM 347 OE2 GLU A 457 -1.511 -16.255 -5.315 1.00 15.42 O ATOM 0 H GLU A 457 2.440 -13.618 -5.011 1.00 32.51 H new ATOM 0 HA GLU A 457 0.245 -11.630 -5.097 1.00 72.02 H new ATOM 0 HB2 GLU A 457 0.572 -14.370 -3.847 1.00 23.14 H new ATOM 0 HB3 GLU A 457 -0.557 -13.228 -3.145 1.00 23.14 H new ATOM 0 HG2 GLU A 457 -1.827 -13.098 -5.213 1.00 12.44 H new ATOM 0 HG3 GLU A 457 -0.620 -14.032 -6.075 1.00 12.44 H new ATOM 354 N TYR A 458 0.896 -10.394 -3.053 1.00 33.43 N ATOM 355 CA TYR A 458 1.359 -9.563 -1.932 1.00 54.33 C ATOM 356 C TYR A 458 0.207 -9.208 -0.982 1.00 54.30 C ATOM 357 O TYR A 458 -0.967 -9.384 -1.312 1.00 53.01 O ATOM 358 CB TYR A 458 2.003 -8.268 -2.456 1.00 1.22 C ATOM 359 CG TYR A 458 3.277 -8.482 -3.257 1.00 63.25 C ATOM 360 CD1 TYR A 458 3.231 -8.846 -4.600 1.00 53.52 C ATOM 361 CD2 TYR A 458 4.528 -8.313 -2.669 1.00 3.04 C ATOM 362 CE1 TYR A 458 4.390 -9.039 -5.328 1.00 1.40 C ATOM 363 CE2 TYR A 458 5.687 -8.503 -3.392 1.00 74.45 C ATOM 364 CZ TYR A 458 5.614 -8.867 -4.720 1.00 70.52 C ATOM 365 OH TYR A 458 6.770 -9.060 -5.438 1.00 60.35 O ATOM 0 H TYR A 458 0.155 -9.969 -3.610 1.00 33.43 H new ATOM 0 HA TYR A 458 2.098 -10.143 -1.379 1.00 54.33 H new ATOM 0 HB2 TYR A 458 1.280 -7.743 -3.080 1.00 1.22 H new ATOM 0 HB3 TYR A 458 2.225 -7.618 -1.609 1.00 1.22 H new ATOM 0 HD1 TYR A 458 2.273 -8.980 -5.081 1.00 53.52 H new ATOM 0 HD2 TYR A 458 4.592 -8.028 -1.629 1.00 3.04 H new ATOM 0 HE1 TYR A 458 4.336 -9.323 -6.369 1.00 1.40 H new ATOM 0 HE2 TYR A 458 6.649 -8.367 -2.920 1.00 74.45 H new ATOM 0 HH TYR A 458 7.474 -9.392 -4.842 1.00 60.35 H new ATOM 375 N GLU A 459 0.559 -8.704 0.198 1.00 30.32 N ATOM 376 CA GLU A 459 -0.426 -8.287 1.202 1.00 31.34 C ATOM 377 C GLU A 459 -0.261 -6.806 1.560 1.00 53.43 C ATOM 378 O GLU A 459 0.833 -6.358 1.909 1.00 1.12 O ATOM 379 CB GLU A 459 -0.275 -9.122 2.483 1.00 44.33 C ATOM 380 CG GLU A 459 -0.714 -10.575 2.349 1.00 43.24 C ATOM 381 CD GLU A 459 -0.468 -11.387 3.614 1.00 14.23 C ATOM 382 OE1 GLU A 459 -0.513 -10.808 4.726 1.00 30.44 O ATOM 383 OE2 GLU A 459 -0.222 -12.607 3.503 1.00 51.22 O ATOM 0 H GLU A 459 1.528 -8.572 0.488 1.00 30.32 H new ATOM 0 HA GLU A 459 -1.415 -8.443 0.771 1.00 31.34 H new ATOM 0 HB2 GLU A 459 0.769 -9.099 2.795 1.00 44.33 H new ATOM 0 HB3 GLU A 459 -0.855 -8.653 3.277 1.00 44.33 H new ATOM 0 HG2 GLU A 459 -1.775 -10.607 2.103 1.00 43.24 H new ATOM 0 HG3 GLU A 459 -0.180 -11.036 1.518 1.00 43.24 H new ATOM 390 N VAL A 460 -1.353 -6.056 1.475 1.00 14.44 N ATOM 391 CA VAL A 460 -1.374 -4.668 1.929 1.00 15.12 C ATOM 392 C VAL A 460 -2.124 -4.563 3.263 1.00 2.32 C ATOM 393 O VAL A 460 -3.331 -4.793 3.326 1.00 32.11 O ATOM 394 CB VAL A 460 -2.056 -3.733 0.898 1.00 11.34 C ATOM 395 CG1 VAL A 460 -1.931 -2.271 1.321 1.00 41.43 C ATOM 396 CG2 VAL A 460 -1.482 -3.948 -0.499 1.00 14.11 C ATOM 0 H VAL A 460 -2.240 -6.386 1.094 1.00 14.44 H new ATOM 0 HA VAL A 460 -0.338 -4.352 2.050 1.00 15.12 H new ATOM 0 HB VAL A 460 -3.116 -3.985 0.867 1.00 11.34 H new ATOM 0 HG11 VAL A 460 -2.417 -1.635 0.581 1.00 41.43 H new ATOM 0 HG12 VAL A 460 -2.409 -2.131 2.290 1.00 41.43 H new ATOM 0 HG13 VAL A 460 -0.877 -2.002 1.394 1.00 41.43 H new ATOM 0 HG21 VAL A 460 -1.978 -3.280 -1.203 1.00 14.11 H new ATOM 0 HG22 VAL A 460 -0.413 -3.736 -0.490 1.00 14.11 H new ATOM 0 HG23 VAL A 460 -1.645 -4.982 -0.804 1.00 14.11 H new ATOM 406 N HIS A 461 -1.406 -4.227 4.324 1.00 15.41 N ATOM 407 CA HIS A 461 -2.012 -4.046 5.644 1.00 33.10 C ATOM 408 C HIS A 461 -2.265 -2.558 5.920 1.00 62.13 C ATOM 409 O HIS A 461 -1.331 -1.800 6.173 1.00 72.45 O ATOM 410 CB HIS A 461 -1.110 -4.653 6.731 1.00 1.32 C ATOM 411 CG HIS A 461 -0.980 -6.148 6.646 1.00 75.04 C ATOM 412 ND1 HIS A 461 -1.448 -7.002 7.623 1.00 73.43 N ATOM 413 CD2 HIS A 461 -0.429 -6.945 5.695 1.00 34.21 C ATOM 414 CE1 HIS A 461 -1.194 -8.248 7.281 1.00 75.52 C ATOM 415 NE2 HIS A 461 -0.578 -8.242 6.118 1.00 53.45 N ATOM 0 H HIS A 461 -0.398 -4.072 4.301 1.00 15.41 H new ATOM 0 HA HIS A 461 -2.971 -4.564 5.661 1.00 33.10 H new ATOM 0 HB2 HIS A 461 -0.118 -4.207 6.658 1.00 1.32 H new ATOM 0 HB3 HIS A 461 -1.508 -4.387 7.710 1.00 1.32 H new ATOM 0 HD1 HIS A 461 -1.919 -6.712 8.480 1.00 73.43 H new ATOM 0 HD2 HIS A 461 0.039 -6.619 4.778 1.00 34.21 H new ATOM 0 HE1 HIS A 461 -1.448 -9.126 7.857 1.00 75.52 H new ATOM 0 HE2 HIS A 461 -0.262 -9.069 5.612 1.00 53.45 H new ATOM 424 N VAL A 462 -3.528 -2.148 5.860 1.00 3.45 N ATOM 425 CA VAL A 462 -3.903 -0.749 6.067 1.00 22.42 C ATOM 426 C VAL A 462 -4.556 -0.577 7.441 1.00 43.23 C ATOM 427 O VAL A 462 -5.540 -1.239 7.766 1.00 63.32 O ATOM 428 CB VAL A 462 -4.850 -0.237 4.944 1.00 21.10 C ATOM 429 CG1 VAL A 462 -4.200 -0.435 3.577 1.00 33.43 C ATOM 430 CG2 VAL A 462 -6.218 -0.922 4.990 1.00 64.12 C ATOM 0 H VAL A 462 -4.315 -2.767 5.669 1.00 3.45 H new ATOM 0 HA VAL A 462 -2.994 -0.148 6.027 1.00 22.42 H new ATOM 0 HB VAL A 462 -5.015 0.827 5.113 1.00 21.10 H new ATOM 0 HG11 VAL A 462 -4.872 -0.073 2.799 1.00 33.43 H new ATOM 0 HG12 VAL A 462 -3.264 0.121 3.535 1.00 33.43 H new ATOM 0 HG13 VAL A 462 -4.000 -1.495 3.419 1.00 33.43 H new ATOM 0 HG21 VAL A 462 -6.846 -0.534 4.188 1.00 64.12 H new ATOM 0 HG22 VAL A 462 -6.091 -1.997 4.863 1.00 64.12 H new ATOM 0 HG23 VAL A 462 -6.692 -0.723 5.951 1.00 64.12 H new ATOM 440 N LYS A 463 -3.997 0.306 8.251 1.00 3.20 N ATOM 441 CA LYS A 463 -4.396 0.422 9.653 1.00 22.23 C ATOM 442 C LYS A 463 -4.470 1.877 10.123 1.00 0.04 C ATOM 443 O LYS A 463 -3.675 2.721 9.710 1.00 43.25 O ATOM 444 CB LYS A 463 -3.405 -0.351 10.524 1.00 53.14 C ATOM 445 CG LYS A 463 -1.955 -0.125 10.114 1.00 62.14 C ATOM 446 CD LYS A 463 -0.977 -0.621 11.168 1.00 44.22 C ATOM 447 CE LYS A 463 -1.047 -2.129 11.335 1.00 13.24 C ATOM 448 NZ LYS A 463 0.111 -2.661 12.097 1.00 42.45 N ATOM 0 H LYS A 463 -3.264 0.956 7.966 1.00 3.20 H new ATOM 0 HA LYS A 463 -5.398 0.002 9.747 1.00 22.23 H new ATOM 0 HB2 LYS A 463 -3.534 -0.053 11.565 1.00 53.14 H new ATOM 0 HB3 LYS A 463 -3.632 -1.416 10.467 1.00 53.14 H new ATOM 0 HG2 LYS A 463 -1.762 -0.637 9.171 1.00 62.14 H new ATOM 0 HG3 LYS A 463 -1.790 0.938 9.939 1.00 62.14 H new ATOM 0 HD2 LYS A 463 0.036 -0.333 10.888 1.00 44.22 H new ATOM 0 HD3 LYS A 463 -1.194 -0.139 12.121 1.00 44.22 H new ATOM 0 HE2 LYS A 463 -1.971 -2.394 11.849 1.00 13.24 H new ATOM 0 HE3 LYS A 463 -1.082 -2.601 10.353 1.00 13.24 H new ATOM 0 HZ1 LYS A 463 -0.143 -3.576 12.521 1.00 42.45 H new ATOM 0 HZ2 LYS A 463 0.919 -2.790 11.455 1.00 42.45 H new ATOM 0 HZ3 LYS A 463 0.369 -1.991 12.849 1.00 42.45 H new ATOM 462 N ASN A 464 -5.437 2.156 10.990 1.00 41.02 N ATOM 463 CA ASN A 464 -5.540 3.459 11.646 1.00 61.42 C ATOM 464 C ASN A 464 -5.024 3.341 13.085 1.00 71.11 C ATOM 465 O ASN A 464 -5.488 2.496 13.847 1.00 71.01 O ATOM 466 CB ASN A 464 -7.006 3.915 11.634 1.00 53.31 C ATOM 467 CG ASN A 464 -7.206 5.338 12.125 1.00 45.33 C ATOM 468 OD1 ASN A 464 -6.470 5.841 12.970 1.00 12.41 O ATOM 469 ND2 ASN A 464 -8.220 5.996 11.603 1.00 42.13 N ATOM 0 H ASN A 464 -6.166 1.494 11.258 1.00 41.02 H new ATOM 0 HA ASN A 464 -4.938 4.197 11.116 1.00 61.42 H new ATOM 0 HB2 ASN A 464 -7.395 3.832 10.619 1.00 53.31 H new ATOM 0 HB3 ASN A 464 -7.593 3.239 12.256 1.00 53.31 H new ATOM 0 HD21 ASN A 464 -8.413 6.953 11.899 1.00 42.13 H new ATOM 0 HD22 ASN A 464 -8.812 5.549 10.903 1.00 42.13 H new ATOM 476 N LEU A 465 -4.081 4.195 13.470 1.00 25.41 N ATOM 477 CA LEU A 465 -3.470 4.110 14.804 1.00 1.31 C ATOM 478 C LEU A 465 -3.837 5.317 15.685 1.00 31.43 C ATOM 479 O LEU A 465 -3.428 5.398 16.844 1.00 2.41 O ATOM 480 CB LEU A 465 -1.942 3.988 14.668 1.00 2.44 C ATOM 481 CG LEU A 465 -1.445 2.823 13.784 1.00 61.51 C ATOM 482 CD1 LEU A 465 0.080 2.792 13.728 1.00 75.22 C ATOM 483 CD2 LEU A 465 -1.988 1.482 14.279 1.00 45.42 C ATOM 0 H LEU A 465 -3.721 4.951 12.887 1.00 25.41 H new ATOM 0 HA LEU A 465 -3.864 3.222 15.297 1.00 1.31 H new ATOM 0 HB2 LEU A 465 -1.555 4.922 14.260 1.00 2.44 H new ATOM 0 HB3 LEU A 465 -1.514 3.874 15.664 1.00 2.44 H new ATOM 0 HG LEU A 465 -1.823 2.991 12.776 1.00 61.51 H new ATOM 0 HD11 LEU A 465 0.404 1.963 13.099 1.00 75.22 H new ATOM 0 HD12 LEU A 465 0.448 3.729 13.310 1.00 75.22 H new ATOM 0 HD13 LEU A 465 0.478 2.662 14.734 1.00 75.22 H new ATOM 0 HD21 LEU A 465 -1.621 0.681 13.637 1.00 45.42 H new ATOM 0 HD22 LEU A 465 -1.653 1.309 15.302 1.00 45.42 H new ATOM 0 HD23 LEU A 465 -3.078 1.498 14.252 1.00 45.42 H new ATOM 495 N GLY A 466 -4.632 6.240 15.141 1.00 63.12 N ATOM 496 CA GLY A 466 -5.015 7.440 15.885 1.00 3.04 C ATOM 497 C GLY A 466 -6.209 7.234 16.814 1.00 35.22 C ATOM 498 O GLY A 466 -6.406 7.993 17.762 1.00 53.54 O ATOM 0 H GLY A 466 -5.019 6.181 14.199 1.00 63.12 H new ATOM 0 HA2 GLY A 466 -4.163 7.779 16.474 1.00 3.04 H new ATOM 0 HA3 GLY A 466 -5.250 8.235 15.178 1.00 3.04 H new ATOM 502 N GLY A 467 -7.016 6.209 16.542 1.00 32.13 N ATOM 503 CA GLY A 467 -8.173 5.912 17.390 1.00 23.45 C ATOM 504 C GLY A 467 -9.444 6.668 16.991 1.00 5.41 C ATOM 505 O GLY A 467 -10.356 6.844 17.803 1.00 34.31 O ATOM 0 H GLY A 467 -6.894 5.576 15.751 1.00 32.13 H new ATOM 0 HA2 GLY A 467 -8.372 4.841 17.354 1.00 23.45 H new ATOM 0 HA3 GLY A 467 -7.926 6.156 18.423 1.00 23.45 H new ATOM 509 N ILE A 468 -9.497 7.123 15.742 1.00 20.03 N ATOM 510 CA ILE A 468 -10.696 7.777 15.189 1.00 30.53 C ATOM 511 C ILE A 468 -10.972 7.302 13.748 1.00 30.02 C ATOM 512 O ILE A 468 -10.061 7.244 12.923 1.00 22.02 O ATOM 513 CB ILE A 468 -10.570 9.326 15.232 1.00 60.34 C ATOM 514 CG1 ILE A 468 -11.692 10.000 14.422 1.00 10.33 C ATOM 515 CG2 ILE A 468 -9.200 9.771 14.736 1.00 44.31 C ATOM 516 CD1 ILE A 468 -11.617 11.515 14.406 1.00 70.53 C ATOM 0 H ILE A 468 -8.721 7.053 15.084 1.00 20.03 H new ATOM 0 HA ILE A 468 -11.540 7.489 15.816 1.00 30.53 H new ATOM 0 HB ILE A 468 -10.675 9.640 16.270 1.00 60.34 H new ATOM 0 HG12 ILE A 468 -11.656 9.634 13.396 1.00 10.33 H new ATOM 0 HG13 ILE A 468 -12.655 9.698 14.834 1.00 10.33 H new ATOM 0 HG21 ILE A 468 -9.135 10.858 14.775 1.00 44.31 H new ATOM 0 HG22 ILE A 468 -8.426 9.338 15.369 1.00 44.31 H new ATOM 0 HG23 ILE A 468 -9.058 9.436 13.709 1.00 44.31 H new ATOM 0 HD11 ILE A 468 -12.441 11.914 13.815 1.00 70.53 H new ATOM 0 HD12 ILE A 468 -11.685 11.893 15.426 1.00 70.53 H new ATOM 0 HD13 ILE A 468 -10.670 11.828 13.965 1.00 70.53 H new ATOM 528 N GLY A 469 -12.229 6.970 13.463 1.00 72.23 N ATOM 529 CA GLY A 469 -12.599 6.399 12.166 1.00 62.11 C ATOM 530 C GLY A 469 -12.520 7.377 10.991 1.00 55.11 C ATOM 531 O GLY A 469 -12.874 8.552 11.113 1.00 24.41 O ATOM 0 H GLY A 469 -13.009 7.085 14.110 1.00 72.23 H new ATOM 0 HA2 GLY A 469 -11.948 5.550 11.959 1.00 62.11 H new ATOM 0 HA3 GLY A 469 -13.616 6.012 12.231 1.00 62.11 H new ATOM 535 N VAL A 470 -12.059 6.873 9.840 1.00 53.04 N ATOM 536 CA VAL A 470 -11.940 7.672 8.610 1.00 3.55 C ATOM 537 C VAL A 470 -12.553 6.933 7.397 1.00 31.30 C ATOM 538 O VAL A 470 -12.079 5.861 7.014 1.00 1.05 O ATOM 539 CB VAL A 470 -10.452 8.000 8.299 1.00 43.10 C ATOM 540 CG1 VAL A 470 -10.325 8.836 7.025 1.00 52.53 C ATOM 541 CG2 VAL A 470 -9.794 8.712 9.481 1.00 61.13 C ATOM 0 H VAL A 470 -11.759 5.904 9.733 1.00 53.04 H new ATOM 0 HA VAL A 470 -12.489 8.598 8.780 1.00 3.55 H new ATOM 0 HB VAL A 470 -9.930 7.057 8.134 1.00 43.10 H new ATOM 0 HG11 VAL A 470 -9.273 9.050 6.833 1.00 52.53 H new ATOM 0 HG12 VAL A 470 -10.742 8.283 6.184 1.00 52.53 H new ATOM 0 HG13 VAL A 470 -10.869 9.773 7.149 1.00 52.53 H new ATOM 0 HG21 VAL A 470 -8.754 8.931 9.240 1.00 61.13 H new ATOM 0 HG22 VAL A 470 -10.323 9.643 9.685 1.00 61.13 H new ATOM 0 HG23 VAL A 470 -9.835 8.070 10.361 1.00 61.13 H new ATOM 551 N PRO A 471 -13.625 7.484 6.785 1.00 74.40 N ATOM 552 CA PRO A 471 -14.232 6.921 5.557 1.00 60.34 C ATOM 553 C PRO A 471 -13.486 7.332 4.270 1.00 51.43 C ATOM 554 O PRO A 471 -13.708 6.770 3.197 1.00 42.14 O ATOM 555 CB PRO A 471 -15.636 7.531 5.574 1.00 3.23 C ATOM 556 CG PRO A 471 -15.455 8.858 6.233 1.00 51.15 C ATOM 557 CD PRO A 471 -14.361 8.676 7.260 1.00 2.34 C ATOM 0 HA PRO A 471 -14.207 5.831 5.550 1.00 60.34 H new ATOM 0 HB2 PRO A 471 -16.035 7.639 4.565 1.00 3.23 H new ATOM 0 HB3 PRO A 471 -16.335 6.904 6.128 1.00 3.23 H new ATOM 0 HG2 PRO A 471 -15.181 9.620 5.504 1.00 51.15 H new ATOM 0 HG3 PRO A 471 -16.381 9.187 6.705 1.00 51.15 H new ATOM 0 HD2 PRO A 471 -13.713 9.551 7.314 1.00 2.34 H new ATOM 0 HD3 PRO A 471 -14.771 8.521 8.258 1.00 2.34 H new ATOM 565 N SER A 472 -12.592 8.306 4.407 1.00 41.11 N ATOM 566 CA SER A 472 -11.850 8.899 3.276 1.00 61.20 C ATOM 567 C SER A 472 -10.635 8.057 2.854 1.00 3.30 C ATOM 568 O SER A 472 -9.792 8.517 2.082 1.00 43.23 O ATOM 569 CB SER A 472 -11.388 10.319 3.624 1.00 32.21 C ATOM 570 OG SER A 472 -12.489 11.156 3.952 1.00 71.05 O ATOM 0 H SER A 472 -12.353 8.716 5.310 1.00 41.11 H new ATOM 0 HA SER A 472 -12.541 8.926 2.434 1.00 61.20 H new ATOM 0 HB2 SER A 472 -10.694 10.282 4.464 1.00 32.21 H new ATOM 0 HB3 SER A 472 -10.845 10.744 2.780 1.00 32.21 H new ATOM 0 HG SER A 472 -12.163 12.054 4.171 1.00 71.05 H new ATOM 576 N THR A 473 -10.555 6.819 3.330 1.00 3.12 N ATOM 577 CA THR A 473 -9.313 6.043 3.249 1.00 43.52 C ATOM 578 C THR A 473 -9.202 5.297 1.909 1.00 62.44 C ATOM 579 O THR A 473 -9.686 4.178 1.741 1.00 21.14 O ATOM 580 CB THR A 473 -9.236 5.011 4.408 1.00 61.21 C ATOM 581 OG1 THR A 473 -9.355 5.674 5.677 1.00 33.40 O ATOM 582 CG2 THR A 473 -7.932 4.221 4.372 1.00 53.23 C ATOM 0 H THR A 473 -11.330 6.329 3.776 1.00 3.12 H new ATOM 0 HA THR A 473 -8.487 6.750 3.329 1.00 43.52 H new ATOM 0 HB THR A 473 -10.064 4.315 4.278 1.00 61.21 H new ATOM 0 HG1 THR A 473 -10.289 5.651 5.972 1.00 33.40 H new ATOM 0 HG21 THR A 473 -7.915 3.510 5.198 1.00 53.23 H new ATOM 0 HG22 THR A 473 -7.859 3.682 3.427 1.00 53.23 H new ATOM 0 HG23 THR A 473 -7.089 4.906 4.465 1.00 53.23 H new ATOM 590 N LYS A 474 -8.575 5.973 0.945 1.00 51.23 N ATOM 591 CA LYS A 474 -8.294 5.403 -0.378 1.00 21.30 C ATOM 592 C LYS A 474 -6.873 4.816 -0.417 1.00 52.40 C ATOM 593 O LYS A 474 -5.895 5.529 -0.182 1.00 74.34 O ATOM 594 CB LYS A 474 -8.425 6.497 -1.452 1.00 44.31 C ATOM 595 CG LYS A 474 -9.726 7.293 -1.365 1.00 71.22 C ATOM 596 CD LYS A 474 -9.750 8.454 -2.360 1.00 32.44 C ATOM 597 CE LYS A 474 -10.980 9.342 -2.180 1.00 73.43 C ATOM 598 NZ LYS A 474 -10.991 10.478 -3.142 1.00 65.34 N ATOM 0 H LYS A 474 -8.247 6.932 1.057 1.00 51.23 H new ATOM 0 HA LYS A 474 -9.012 4.607 -0.575 1.00 21.30 H new ATOM 0 HB2 LYS A 474 -7.583 7.184 -1.363 1.00 44.31 H new ATOM 0 HB3 LYS A 474 -8.357 6.036 -2.437 1.00 44.31 H new ATOM 0 HG2 LYS A 474 -10.570 6.631 -1.558 1.00 71.22 H new ATOM 0 HG3 LYS A 474 -9.849 7.679 -0.353 1.00 71.22 H new ATOM 0 HD2 LYS A 474 -8.849 9.055 -2.237 1.00 32.44 H new ATOM 0 HD3 LYS A 474 -9.734 8.060 -3.376 1.00 32.44 H new ATOM 0 HE2 LYS A 474 -11.882 8.744 -2.314 1.00 73.43 H new ATOM 0 HE3 LYS A 474 -11.002 9.729 -1.161 1.00 73.43 H new ATOM 0 HZ1 LYS A 474 -11.327 11.337 -2.661 1.00 65.34 H new ATOM 0 HZ2 LYS A 474 -10.029 10.637 -3.503 1.00 65.34 H new ATOM 0 HZ3 LYS A 474 -11.625 10.255 -3.935 1.00 65.34 H new ATOM 612 N VAL A 475 -6.761 3.525 -0.718 1.00 52.34 N ATOM 613 CA VAL A 475 -5.462 2.842 -0.737 1.00 42.24 C ATOM 614 C VAL A 475 -4.977 2.606 -2.175 1.00 33.33 C ATOM 615 O VAL A 475 -5.617 1.900 -2.951 1.00 3.53 O ATOM 616 CB VAL A 475 -5.542 1.484 0.003 1.00 32.12 C ATOM 617 CG1 VAL A 475 -4.165 0.825 0.080 1.00 54.32 C ATOM 618 CG2 VAL A 475 -6.146 1.669 1.396 1.00 21.52 C ATOM 0 H VAL A 475 -7.553 2.926 -0.953 1.00 52.34 H new ATOM 0 HA VAL A 475 -4.750 3.490 -0.226 1.00 42.24 H new ATOM 0 HB VAL A 475 -6.195 0.820 -0.563 1.00 32.12 H new ATOM 0 HG11 VAL A 475 -4.246 -0.127 0.604 1.00 54.32 H new ATOM 0 HG12 VAL A 475 -3.787 0.654 -0.928 1.00 54.32 H new ATOM 0 HG13 VAL A 475 -3.479 1.478 0.619 1.00 54.32 H new ATOM 0 HG21 VAL A 475 -6.195 0.705 1.902 1.00 21.52 H new ATOM 0 HG22 VAL A 475 -5.524 2.352 1.975 1.00 21.52 H new ATOM 0 HG23 VAL A 475 -7.150 2.082 1.305 1.00 21.52 H new ATOM 628 N ARG A 476 -3.838 3.193 -2.523 1.00 62.41 N ATOM 629 CA ARG A 476 -3.299 3.100 -3.883 1.00 41.22 C ATOM 630 C ARG A 476 -1.947 2.368 -3.906 1.00 62.14 C ATOM 631 O ARG A 476 -1.142 2.510 -2.988 1.00 72.42 O ATOM 632 CB ARG A 476 -3.151 4.511 -4.469 1.00 15.52 C ATOM 633 CG ARG A 476 -4.470 5.280 -4.530 1.00 34.21 C ATOM 634 CD ARG A 476 -4.282 6.731 -4.960 1.00 63.45 C ATOM 635 NE ARG A 476 -5.564 7.434 -5.043 1.00 12.35 N ATOM 636 CZ ARG A 476 -5.731 8.713 -4.827 1.00 12.54 C ATOM 637 NH1 ARG A 476 -4.730 9.477 -4.537 1.00 45.10 N ATOM 638 NH2 ARG A 476 -6.915 9.224 -4.927 1.00 34.13 N ATOM 0 H ARG A 476 -3.265 3.742 -1.882 1.00 62.41 H new ATOM 0 HA ARG A 476 -3.994 2.521 -4.490 1.00 41.22 H new ATOM 0 HB2 ARG A 476 -2.437 5.074 -3.867 1.00 15.52 H new ATOM 0 HB3 ARG A 476 -2.734 4.438 -5.473 1.00 15.52 H new ATOM 0 HG2 ARG A 476 -5.145 4.783 -5.227 1.00 34.21 H new ATOM 0 HG3 ARG A 476 -4.947 5.254 -3.550 1.00 34.21 H new ATOM 0 HD2 ARG A 476 -3.631 7.241 -4.250 1.00 63.45 H new ATOM 0 HD3 ARG A 476 -3.784 6.763 -5.929 1.00 63.45 H new ATOM 0 HE ARG A 476 -6.388 6.885 -5.288 1.00 12.35 H new ATOM 0 HH11 ARG A 476 -3.791 9.085 -4.473 1.00 45.10 H new ATOM 0 HH12 ARG A 476 -4.879 10.472 -4.372 1.00 45.10 H new ATOM 0 HH21 ARG A 476 -7.708 8.631 -5.172 1.00 34.13 H new ATOM 0 HH22 ARG A 476 -7.056 10.220 -4.761 1.00 34.13 H new ATOM 652 N VAL A 477 -1.699 1.593 -4.963 1.00 44.55 N ATOM 653 CA VAL A 477 -0.444 0.847 -5.104 1.00 15.32 C ATOM 654 C VAL A 477 0.304 1.270 -6.376 1.00 64.44 C ATOM 655 O VAL A 477 -0.218 1.145 -7.487 1.00 0.04 O ATOM 656 CB VAL A 477 -0.704 -0.683 -5.153 1.00 51.15 C ATOM 657 CG1 VAL A 477 0.603 -1.456 -5.344 1.00 23.34 C ATOM 658 CG2 VAL A 477 -1.429 -1.149 -3.890 1.00 24.03 C ATOM 0 H VAL A 477 -2.351 1.464 -5.737 1.00 44.55 H new ATOM 0 HA VAL A 477 0.168 1.077 -4.232 1.00 15.32 H new ATOM 0 HB VAL A 477 -1.345 -0.888 -6.011 1.00 51.15 H new ATOM 0 HG11 VAL A 477 0.392 -2.525 -5.375 1.00 23.34 H new ATOM 0 HG12 VAL A 477 1.072 -1.152 -6.279 1.00 23.34 H new ATOM 0 HG13 VAL A 477 1.276 -1.243 -4.514 1.00 23.34 H new ATOM 0 HG21 VAL A 477 -1.601 -2.224 -3.945 1.00 24.03 H new ATOM 0 HG22 VAL A 477 -0.818 -0.924 -3.016 1.00 24.03 H new ATOM 0 HG23 VAL A 477 -2.385 -0.632 -3.808 1.00 24.03 H new ATOM 668 N TYR A 478 1.523 1.772 -6.202 1.00 15.03 N ATOM 669 CA TYR A 478 2.350 2.242 -7.317 1.00 72.33 C ATOM 670 C TYR A 478 3.626 1.398 -7.463 1.00 1.22 C ATOM 671 O TYR A 478 4.274 1.059 -6.477 1.00 62.10 O ATOM 672 CB TYR A 478 2.738 3.715 -7.107 1.00 2.13 C ATOM 673 CG TYR A 478 1.559 4.671 -7.064 1.00 2.32 C ATOM 674 CD1 TYR A 478 0.908 4.961 -5.867 1.00 74.05 C ATOM 675 CD2 TYR A 478 1.097 5.286 -8.222 1.00 22.44 C ATOM 676 CE1 TYR A 478 -0.165 5.832 -5.831 1.00 13.32 C ATOM 677 CE2 TYR A 478 0.026 6.157 -8.192 1.00 33.44 C ATOM 678 CZ TYR A 478 -0.603 6.427 -6.997 1.00 13.02 C ATOM 679 OH TYR A 478 -1.674 7.292 -6.969 1.00 21.21 O ATOM 0 H TYR A 478 1.967 1.866 -5.289 1.00 15.03 H new ATOM 0 HA TYR A 478 1.761 2.142 -8.229 1.00 72.33 H new ATOM 0 HB2 TYR A 478 3.296 3.802 -6.175 1.00 2.13 H new ATOM 0 HB3 TYR A 478 3.409 4.020 -7.910 1.00 2.13 H new ATOM 0 HD1 TYR A 478 1.247 4.498 -4.952 1.00 74.05 H new ATOM 0 HD2 TYR A 478 1.585 5.079 -9.163 1.00 22.44 H new ATOM 0 HE1 TYR A 478 -0.658 6.046 -4.894 1.00 13.32 H new ATOM 0 HE2 TYR A 478 -0.317 6.625 -9.103 1.00 33.44 H new ATOM 0 HH TYR A 478 -1.642 7.826 -6.148 1.00 21.21 H new ATOM 689 N ILE A 479 3.974 1.064 -8.699 1.00 12.02 N ATOM 690 CA ILE A 479 5.224 0.358 -8.998 1.00 10.41 C ATOM 691 C ILE A 479 6.175 1.287 -9.768 1.00 0.01 C ATOM 692 O ILE A 479 5.934 1.601 -10.936 1.00 14.41 O ATOM 693 CB ILE A 479 4.955 -0.922 -9.830 1.00 3.14 C ATOM 694 CG1 ILE A 479 3.956 -1.833 -9.092 1.00 42.03 C ATOM 695 CG2 ILE A 479 6.260 -1.668 -10.112 1.00 21.12 C ATOM 696 CD1 ILE A 479 3.567 -3.079 -9.863 1.00 1.14 C ATOM 0 H ILE A 479 3.406 1.271 -9.521 1.00 12.02 H new ATOM 0 HA ILE A 479 5.684 0.064 -8.055 1.00 10.41 H new ATOM 0 HB ILE A 479 4.520 -0.631 -10.786 1.00 3.14 H new ATOM 0 HG12 ILE A 479 4.389 -2.130 -8.137 1.00 42.03 H new ATOM 0 HG13 ILE A 479 3.055 -1.261 -8.869 1.00 42.03 H new ATOM 0 HG21 ILE A 479 6.048 -2.563 -10.697 1.00 21.12 H new ATOM 0 HG22 ILE A 479 6.936 -1.021 -10.671 1.00 21.12 H new ATOM 0 HG23 ILE A 479 6.727 -1.953 -9.169 1.00 21.12 H new ATOM 0 HD11 ILE A 479 2.862 -3.666 -9.274 1.00 1.14 H new ATOM 0 HD12 ILE A 479 3.102 -2.793 -10.807 1.00 1.14 H new ATOM 0 HD13 ILE A 479 4.457 -3.676 -10.063 1.00 1.14 H new ATOM 708 N ASN A 480 7.238 1.745 -9.100 1.00 75.24 N ATOM 709 CA ASN A 480 8.153 2.744 -9.674 1.00 43.32 C ATOM 710 C ASN A 480 7.393 4.018 -10.097 1.00 55.52 C ATOM 711 O ASN A 480 7.748 4.675 -11.078 1.00 55.32 O ATOM 712 CB ASN A 480 8.928 2.158 -10.870 1.00 70.22 C ATOM 713 CG ASN A 480 9.949 1.112 -10.455 1.00 2.43 C ATOM 714 OD1 ASN A 480 10.460 1.129 -9.341 1.00 60.11 O ATOM 715 ND2 ASN A 480 10.269 0.199 -11.353 1.00 24.24 N ATOM 0 H ASN A 480 7.489 1.441 -8.159 1.00 75.24 H new ATOM 0 HA ASN A 480 8.870 3.018 -8.900 1.00 43.32 H new ATOM 0 HB2 ASN A 480 8.222 1.712 -11.571 1.00 70.22 H new ATOM 0 HB3 ASN A 480 9.436 2.965 -11.399 1.00 70.22 H new ATOM 0 HD21 ASN A 480 10.959 -0.518 -11.128 1.00 24.24 H new ATOM 0 HD22 ASN A 480 9.827 0.211 -12.272 1.00 24.24 H new ATOM 722 N GLY A 481 6.354 4.366 -9.335 1.00 5.11 N ATOM 723 CA GLY A 481 5.547 5.548 -9.640 1.00 11.44 C ATOM 724 C GLY A 481 4.296 5.243 -10.466 1.00 54.42 C ATOM 725 O GLY A 481 3.343 6.025 -10.474 1.00 31.53 O ATOM 0 H GLY A 481 6.054 3.850 -8.508 1.00 5.11 H new ATOM 0 HA2 GLY A 481 5.248 6.023 -8.706 1.00 11.44 H new ATOM 0 HA3 GLY A 481 6.162 6.267 -10.181 1.00 11.44 H new ATOM 729 N THR A 482 4.289 4.105 -11.155 1.00 5.41 N ATOM 730 CA THR A 482 3.165 3.725 -12.027 1.00 43.15 C ATOM 731 C THR A 482 2.012 3.093 -11.230 1.00 34.22 C ATOM 732 O THR A 482 2.199 2.080 -10.558 1.00 13.25 O ATOM 733 CB THR A 482 3.617 2.719 -13.117 1.00 75.41 C ATOM 734 OG1 THR A 482 4.725 3.256 -13.855 1.00 55.12 O ATOM 735 CG2 THR A 482 2.477 2.393 -14.079 1.00 23.44 C ATOM 0 H THR A 482 5.048 3.424 -11.131 1.00 5.41 H new ATOM 0 HA THR A 482 2.815 4.645 -12.495 1.00 43.15 H new ATOM 0 HB THR A 482 3.919 1.800 -12.616 1.00 75.41 H new ATOM 0 HG1 THR A 482 5.004 2.613 -14.540 1.00 55.12 H new ATOM 0 HG21 THR A 482 2.826 1.685 -14.831 1.00 23.44 H new ATOM 0 HG22 THR A 482 1.648 1.954 -13.525 1.00 23.44 H new ATOM 0 HG23 THR A 482 2.142 3.307 -14.569 1.00 23.44 H new ATOM 743 N LEU A 483 0.819 3.687 -11.312 1.00 24.20 N ATOM 744 CA LEU A 483 -0.358 3.156 -10.610 1.00 65.34 C ATOM 745 C LEU A 483 -0.748 1.765 -11.134 1.00 11.25 C ATOM 746 O LEU A 483 -1.044 1.591 -12.318 1.00 11.14 O ATOM 747 CB LEU A 483 -1.553 4.112 -10.750 1.00 45.30 C ATOM 748 CG LEU A 483 -2.845 3.662 -10.041 1.00 14.41 C ATOM 749 CD1 LEU A 483 -2.640 3.564 -8.531 1.00 43.01 C ATOM 750 CD2 LEU A 483 -4.001 4.605 -10.372 1.00 22.51 C ATOM 0 H LEU A 483 0.640 4.532 -11.854 1.00 24.20 H new ATOM 0 HA LEU A 483 -0.091 3.065 -9.557 1.00 65.34 H new ATOM 0 HB2 LEU A 483 -1.264 5.087 -10.358 1.00 45.30 H new ATOM 0 HB3 LEU A 483 -1.768 4.245 -11.810 1.00 45.30 H new ATOM 0 HG LEU A 483 -3.099 2.668 -10.408 1.00 14.41 H new ATOM 0 HD11 LEU A 483 -3.568 3.244 -8.058 1.00 43.01 H new ATOM 0 HD12 LEU A 483 -1.855 2.839 -8.317 1.00 43.01 H new ATOM 0 HD13 LEU A 483 -2.350 4.539 -8.139 1.00 43.01 H new ATOM 0 HD21 LEU A 483 -4.903 4.268 -9.861 1.00 22.51 H new ATOM 0 HD22 LEU A 483 -3.753 5.614 -10.043 1.00 22.51 H new ATOM 0 HD23 LEU A 483 -4.173 4.606 -11.448 1.00 22.51 H new ATOM 762 N TYR A 484 -0.740 0.781 -10.245 1.00 3.30 N ATOM 763 CA TYR A 484 -1.128 -0.591 -10.591 1.00 62.52 C ATOM 764 C TYR A 484 -2.545 -0.932 -10.094 1.00 63.04 C ATOM 765 O TYR A 484 -3.344 -1.527 -10.821 1.00 50.00 O ATOM 766 CB TYR A 484 -0.112 -1.581 -9.996 1.00 62.21 C ATOM 767 CG TYR A 484 -0.584 -3.026 -10.012 1.00 41.44 C ATOM 768 CD1 TYR A 484 -0.532 -3.788 -11.174 1.00 44.14 C ATOM 769 CD2 TYR A 484 -1.099 -3.619 -8.863 1.00 25.33 C ATOM 770 CE1 TYR A 484 -0.977 -5.097 -11.190 1.00 41.52 C ATOM 771 CE2 TYR A 484 -1.551 -4.924 -8.874 1.00 74.12 C ATOM 772 CZ TYR A 484 -1.486 -5.659 -10.038 1.00 4.44 C ATOM 773 OH TYR A 484 -1.942 -6.956 -10.051 1.00 32.33 O ATOM 0 H TYR A 484 -0.468 0.903 -9.270 1.00 3.30 H new ATOM 0 HA TYR A 484 -1.133 -0.672 -11.678 1.00 62.52 H new ATOM 0 HB2 TYR A 484 0.822 -1.507 -10.553 1.00 62.21 H new ATOM 0 HB3 TYR A 484 0.106 -1.291 -8.968 1.00 62.21 H new ATOM 0 HD1 TYR A 484 -0.137 -3.350 -12.079 1.00 44.14 H new ATOM 0 HD2 TYR A 484 -1.146 -3.049 -7.947 1.00 25.33 H new ATOM 0 HE1 TYR A 484 -0.926 -5.676 -12.100 1.00 41.52 H new ATOM 0 HE2 TYR A 484 -1.953 -5.366 -7.975 1.00 74.12 H new ATOM 0 HH TYR A 484 -1.475 -7.460 -10.750 1.00 32.33 H new ATOM 783 N LYS A 485 -2.855 -0.546 -8.859 1.00 24.32 N ATOM 784 CA LYS A 485 -4.131 -0.919 -8.226 1.00 14.24 C ATOM 785 C LYS A 485 -4.625 0.188 -7.283 1.00 65.22 C ATOM 786 O LYS A 485 -3.826 0.949 -6.738 1.00 32.45 O ATOM 787 CB LYS A 485 -3.949 -2.232 -7.442 1.00 21.34 C ATOM 788 CG LYS A 485 -5.217 -2.752 -6.762 1.00 42.31 C ATOM 789 CD LYS A 485 -6.228 -3.329 -7.753 1.00 51.44 C ATOM 790 CE LYS A 485 -5.710 -4.600 -8.423 1.00 44.32 C ATOM 791 NZ LYS A 485 -6.737 -5.225 -9.299 1.00 62.11 N ATOM 0 H LYS A 485 -2.246 0.024 -8.272 1.00 24.32 H new ATOM 0 HA LYS A 485 -4.879 -1.056 -9.007 1.00 14.24 H new ATOM 0 HB2 LYS A 485 -3.579 -2.998 -8.124 1.00 21.34 H new ATOM 0 HB3 LYS A 485 -3.181 -2.082 -6.683 1.00 21.34 H new ATOM 0 HG2 LYS A 485 -4.946 -3.520 -6.038 1.00 42.31 H new ATOM 0 HG3 LYS A 485 -5.684 -1.940 -6.205 1.00 42.31 H new ATOM 0 HD2 LYS A 485 -7.161 -3.547 -7.233 1.00 51.44 H new ATOM 0 HD3 LYS A 485 -6.455 -2.584 -8.515 1.00 51.44 H new ATOM 0 HE2 LYS A 485 -4.825 -4.364 -9.013 1.00 44.32 H new ATOM 0 HE3 LYS A 485 -5.402 -5.314 -7.659 1.00 44.32 H new ATOM 0 HZ1 LYS A 485 -6.345 -6.084 -9.734 1.00 62.11 H new ATOM 0 HZ2 LYS A 485 -7.572 -5.474 -8.732 1.00 62.11 H new ATOM 0 HZ3 LYS A 485 -7.012 -4.554 -10.044 1.00 62.11 H new ATOM 805 N ASN A 486 -5.944 0.275 -7.091 1.00 32.30 N ATOM 806 CA ASN A 486 -6.526 1.244 -6.153 1.00 44.11 C ATOM 807 C ASN A 486 -7.779 0.675 -5.458 1.00 73.41 C ATOM 808 O ASN A 486 -8.603 0.006 -6.081 1.00 22.43 O ATOM 809 CB ASN A 486 -6.869 2.554 -6.882 1.00 64.30 C ATOM 810 CG ASN A 486 -7.921 2.372 -7.966 1.00 22.53 C ATOM 811 OD1 ASN A 486 -9.116 2.494 -7.718 1.00 12.32 O ATOM 812 ND2 ASN A 486 -7.486 2.082 -9.175 1.00 33.11 N ATOM 0 H ASN A 486 -6.628 -0.311 -7.570 1.00 32.30 H new ATOM 0 HA ASN A 486 -5.782 1.450 -5.383 1.00 44.11 H new ATOM 0 HB2 ASN A 486 -7.226 3.285 -6.156 1.00 64.30 H new ATOM 0 HB3 ASN A 486 -5.963 2.964 -7.328 1.00 64.30 H new ATOM 0 HD21 ASN A 486 -8.150 1.952 -9.938 1.00 33.11 H new ATOM 0 HD22 ASN A 486 -6.485 1.987 -9.348 1.00 33.11 H new ATOM 819 N TRP A 487 -7.903 0.945 -4.161 1.00 50.32 N ATOM 820 CA TRP A 487 -9.061 0.513 -3.365 1.00 33.44 C ATOM 821 C TRP A 487 -9.646 1.692 -2.573 1.00 21.13 C ATOM 822 O TRP A 487 -8.923 2.606 -2.174 1.00 23.15 O ATOM 823 CB TRP A 487 -8.662 -0.582 -2.362 1.00 31.44 C ATOM 824 CG TRP A 487 -8.119 -1.845 -2.967 1.00 70.44 C ATOM 825 CD1 TRP A 487 -8.819 -2.809 -3.637 1.00 12.32 C ATOM 826 CD2 TRP A 487 -6.762 -2.300 -2.916 1.00 32.54 C ATOM 827 NE1 TRP A 487 -7.977 -3.829 -4.011 1.00 4.23 N ATOM 828 CE2 TRP A 487 -6.711 -3.541 -3.575 1.00 75.31 C ATOM 829 CE3 TRP A 487 -5.589 -1.775 -2.375 1.00 3.44 C ATOM 830 CZ2 TRP A 487 -5.528 -4.265 -3.706 1.00 54.25 C ATOM 831 CZ3 TRP A 487 -4.416 -2.493 -2.505 1.00 43.21 C ATOM 832 CH2 TRP A 487 -4.393 -3.727 -3.166 1.00 2.41 C ATOM 0 H TRP A 487 -7.208 1.468 -3.628 1.00 50.32 H new ATOM 0 HA TRP A 487 -9.803 0.124 -4.062 1.00 33.44 H new ATOM 0 HB2 TRP A 487 -7.913 -0.174 -1.683 1.00 31.44 H new ATOM 0 HB3 TRP A 487 -9.535 -0.834 -1.759 1.00 31.44 H new ATOM 0 HD1 TRP A 487 -9.879 -2.774 -3.842 1.00 12.32 H new ATOM 0 HE1 TRP A 487 -8.250 -4.664 -4.529 1.00 4.23 H new ATOM 0 HE3 TRP A 487 -5.597 -0.824 -1.863 1.00 3.44 H new ATOM 0 HZ2 TRP A 487 -5.508 -5.217 -4.216 1.00 54.25 H new ATOM 0 HZ3 TRP A 487 -3.501 -2.096 -2.090 1.00 43.21 H new ATOM 0 HH2 TRP A 487 -3.460 -4.265 -3.251 1.00 2.41 H new ATOM 843 N THR A 488 -10.955 1.668 -2.345 1.00 15.53 N ATOM 844 CA THR A 488 -11.598 2.642 -1.455 1.00 33.43 C ATOM 845 C THR A 488 -12.235 1.927 -0.258 1.00 41.43 C ATOM 846 O THR A 488 -13.140 1.106 -0.424 1.00 72.21 O ATOM 847 CB THR A 488 -12.686 3.461 -2.194 1.00 50.34 C ATOM 848 OG1 THR A 488 -12.114 4.125 -3.334 1.00 33.21 O ATOM 849 CG2 THR A 488 -13.321 4.495 -1.269 1.00 61.13 C ATOM 0 H THR A 488 -11.594 0.990 -2.760 1.00 15.53 H new ATOM 0 HA THR A 488 -10.824 3.327 -1.110 1.00 33.43 H new ATOM 0 HB THR A 488 -13.461 2.769 -2.523 1.00 50.34 H new ATOM 0 HG1 THR A 488 -12.809 4.639 -3.796 1.00 33.21 H new ATOM 0 HG21 THR A 488 -14.080 5.054 -1.815 1.00 61.13 H new ATOM 0 HG22 THR A 488 -13.783 3.990 -0.421 1.00 61.13 H new ATOM 0 HG23 THR A 488 -12.554 5.181 -0.909 1.00 61.13 H new ATOM 857 N VAL A 489 -11.770 2.246 0.949 1.00 22.34 N ATOM 858 CA VAL A 489 -12.233 1.565 2.168 1.00 61.43 C ATOM 859 C VAL A 489 -12.373 2.540 3.347 1.00 21.44 C ATOM 860 O VAL A 489 -12.011 3.713 3.253 1.00 42.40 O ATOM 861 CB VAL A 489 -11.271 0.414 2.585 1.00 44.44 C ATOM 862 CG1 VAL A 489 -11.209 -0.679 1.515 1.00 13.22 C ATOM 863 CG2 VAL A 489 -9.873 0.956 2.887 1.00 24.43 C ATOM 0 H VAL A 489 -11.072 2.972 1.114 1.00 22.34 H new ATOM 0 HA VAL A 489 -13.211 1.148 1.928 1.00 61.43 H new ATOM 0 HB VAL A 489 -11.669 -0.035 3.495 1.00 44.44 H new ATOM 0 HG11 VAL A 489 -10.529 -1.467 1.838 1.00 13.22 H new ATOM 0 HG12 VAL A 489 -12.204 -1.098 1.365 1.00 13.22 H new ATOM 0 HG13 VAL A 489 -10.850 -0.252 0.579 1.00 13.22 H new ATOM 0 HG21 VAL A 489 -9.219 0.134 3.176 1.00 24.43 H new ATOM 0 HG22 VAL A 489 -9.472 1.444 1.998 1.00 24.43 H new ATOM 0 HG23 VAL A 489 -9.931 1.677 3.702 1.00 24.43 H new ATOM 873 N SER A 490 -12.915 2.044 4.456 1.00 54.03 N ATOM 874 CA SER A 490 -13.038 2.833 5.691 1.00 11.35 C ATOM 875 C SER A 490 -12.303 2.151 6.852 1.00 70.12 C ATOM 876 O SER A 490 -12.415 0.939 7.041 1.00 62.22 O ATOM 877 CB SER A 490 -14.514 3.029 6.066 1.00 35.33 C ATOM 878 OG SER A 490 -15.221 3.739 5.058 1.00 72.31 O ATOM 0 H SER A 490 -13.280 1.094 4.530 1.00 54.03 H new ATOM 0 HA SER A 490 -12.583 3.806 5.507 1.00 11.35 H new ATOM 0 HB2 SER A 490 -14.982 2.057 6.223 1.00 35.33 H new ATOM 0 HB3 SER A 490 -14.581 3.572 7.009 1.00 35.33 H new ATOM 0 HG SER A 490 -16.157 3.845 5.328 1.00 72.31 H new ATOM 884 N LEU A 491 -11.550 2.928 7.629 1.00 11.31 N ATOM 885 CA LEU A 491 -10.825 2.390 8.790 1.00 4.45 C ATOM 886 C LEU A 491 -11.310 3.038 10.091 1.00 65.33 C ATOM 887 O LEU A 491 -11.203 4.251 10.269 1.00 32.40 O ATOM 888 CB LEU A 491 -9.312 2.614 8.627 1.00 64.33 C ATOM 889 CG LEU A 491 -8.635 1.777 7.526 1.00 24.04 C ATOM 890 CD1 LEU A 491 -7.164 2.152 7.380 1.00 61.34 C ATOM 891 CD2 LEU A 491 -8.779 0.288 7.826 1.00 33.24 C ATOM 0 H LEU A 491 -11.423 3.929 7.480 1.00 11.31 H new ATOM 0 HA LEU A 491 -11.024 1.320 8.843 1.00 4.45 H new ATOM 0 HB2 LEU A 491 -9.139 3.669 8.416 1.00 64.33 H new ATOM 0 HB3 LEU A 491 -8.825 2.395 9.577 1.00 64.33 H new ATOM 0 HG LEU A 491 -9.134 1.993 6.581 1.00 24.04 H new ATOM 0 HD11 LEU A 491 -6.710 1.546 6.596 1.00 61.34 H new ATOM 0 HD12 LEU A 491 -7.082 3.207 7.117 1.00 61.34 H new ATOM 0 HD13 LEU A 491 -6.647 1.972 8.323 1.00 61.34 H new ATOM 0 HD21 LEU A 491 -8.295 -0.290 7.039 1.00 33.24 H new ATOM 0 HD22 LEU A 491 -8.308 0.062 8.783 1.00 33.24 H new ATOM 0 HD23 LEU A 491 -9.836 0.026 7.871 1.00 33.24 H new ATOM 903 N GLY A 492 -11.825 2.219 11.003 1.00 51.01 N ATOM 904 CA GLY A 492 -12.300 2.718 12.288 1.00 44.23 C ATOM 905 C GLY A 492 -11.188 2.899 13.318 1.00 61.02 C ATOM 906 O GLY A 492 -10.000 2.826 12.986 1.00 42.41 O ATOM 0 H GLY A 492 -11.924 1.212 10.877 1.00 51.01 H new ATOM 0 HA2 GLY A 492 -12.802 3.673 12.135 1.00 44.23 H new ATOM 0 HA3 GLY A 492 -13.044 2.027 12.685 1.00 44.23 H new ATOM 910 N PRO A 493 -11.542 3.136 14.591 1.00 21.15 N ATOM 911 CA PRO A 493 -10.554 3.328 15.660 1.00 30.44 C ATOM 912 C PRO A 493 -9.676 2.084 15.888 1.00 15.15 C ATOM 913 O PRO A 493 -10.144 1.065 16.401 1.00 44.53 O ATOM 914 CB PRO A 493 -11.416 3.633 16.897 1.00 12.35 C ATOM 915 CG PRO A 493 -12.761 3.070 16.580 1.00 52.25 C ATOM 916 CD PRO A 493 -12.929 3.230 15.093 1.00 54.12 C ATOM 0 HA PRO A 493 -9.845 4.120 15.420 1.00 30.44 H new ATOM 0 HB2 PRO A 493 -10.997 3.174 17.793 1.00 12.35 H new ATOM 0 HB3 PRO A 493 -11.471 4.705 17.085 1.00 12.35 H new ATOM 0 HG2 PRO A 493 -12.825 2.021 16.871 1.00 52.25 H new ATOM 0 HG3 PRO A 493 -13.545 3.599 17.122 1.00 52.25 H new ATOM 0 HD2 PRO A 493 -13.564 2.451 14.672 1.00 54.12 H new ATOM 0 HD3 PRO A 493 -13.387 4.186 14.839 1.00 54.12 H new ATOM 924 N LYS A 494 -8.405 2.176 15.477 1.00 75.24 N ATOM 925 CA LYS A 494 -7.430 1.087 15.657 1.00 22.42 C ATOM 926 C LYS A 494 -7.771 -0.132 14.775 1.00 73.24 C ATOM 927 O LYS A 494 -7.436 -1.269 15.106 1.00 63.40 O ATOM 928 CB LYS A 494 -7.347 0.685 17.143 1.00 61.12 C ATOM 929 CG LYS A 494 -6.963 1.833 18.080 1.00 74.13 C ATOM 930 CD LYS A 494 -5.517 2.279 17.884 1.00 63.43 C ATOM 931 CE LYS A 494 -5.163 3.467 18.778 1.00 42.40 C ATOM 932 NZ LYS A 494 -5.344 3.167 20.228 1.00 4.13 N ATOM 0 H LYS A 494 -8.023 3.000 15.013 1.00 75.24 H new ATOM 0 HA LYS A 494 -6.454 1.454 15.339 1.00 22.42 H new ATOM 0 HB2 LYS A 494 -8.311 0.283 17.454 1.00 61.12 H new ATOM 0 HB3 LYS A 494 -6.617 -0.118 17.251 1.00 61.12 H new ATOM 0 HG2 LYS A 494 -7.629 2.679 17.907 1.00 74.13 H new ATOM 0 HG3 LYS A 494 -7.108 1.520 19.114 1.00 74.13 H new ATOM 0 HD2 LYS A 494 -4.847 1.447 18.103 1.00 63.43 H new ATOM 0 HD3 LYS A 494 -5.358 2.550 16.840 1.00 63.43 H new ATOM 0 HE2 LYS A 494 -4.128 3.758 18.597 1.00 42.40 H new ATOM 0 HE3 LYS A 494 -5.785 4.320 18.507 1.00 42.40 H new ATOM 0 HZ1 LYS A 494 -4.949 3.944 20.795 1.00 4.13 H new ATOM 0 HZ2 LYS A 494 -6.358 3.065 20.438 1.00 4.13 H new ATOM 0 HZ3 LYS A 494 -4.851 2.282 20.463 1.00 4.13 H new ATOM 946 N GLU A 495 -8.411 0.124 13.631 1.00 71.12 N ATOM 947 CA GLU A 495 -8.826 -0.940 12.701 1.00 70.32 C ATOM 948 C GLU A 495 -7.751 -1.211 11.626 1.00 61.43 C ATOM 949 O GLU A 495 -7.039 -0.297 11.206 1.00 4.12 O ATOM 950 CB GLU A 495 -10.152 -0.541 12.028 1.00 71.31 C ATOM 951 CG GLU A 495 -10.684 -1.550 11.011 1.00 63.43 C ATOM 952 CD GLU A 495 -11.039 -2.892 11.635 1.00 63.14 C ATOM 953 OE1 GLU A 495 -12.161 -3.029 12.162 1.00 42.52 O ATOM 954 OE2 GLU A 495 -10.201 -3.814 11.595 1.00 63.31 O ATOM 0 H GLU A 495 -8.656 1.064 13.321 1.00 71.12 H new ATOM 0 HA GLU A 495 -8.959 -1.858 13.273 1.00 70.32 H new ATOM 0 HB2 GLU A 495 -10.906 -0.394 12.801 1.00 71.31 H new ATOM 0 HB3 GLU A 495 -10.016 0.419 11.529 1.00 71.31 H new ATOM 0 HG2 GLU A 495 -11.568 -1.136 10.525 1.00 63.43 H new ATOM 0 HG3 GLU A 495 -9.935 -1.704 10.234 1.00 63.43 H new ATOM 961 N GLU A 496 -7.649 -2.472 11.188 1.00 44.40 N ATOM 962 CA GLU A 496 -6.701 -2.872 10.132 1.00 30.40 C ATOM 963 C GLU A 496 -7.368 -3.798 9.096 1.00 42.53 C ATOM 964 O GLU A 496 -7.984 -4.804 9.456 1.00 13.33 O ATOM 965 CB GLU A 496 -5.484 -3.597 10.733 1.00 44.20 C ATOM 966 CG GLU A 496 -4.413 -3.946 9.697 1.00 71.43 C ATOM 967 CD GLU A 496 -3.396 -4.964 10.194 1.00 30.12 C ATOM 968 OE1 GLU A 496 -2.698 -4.685 11.190 1.00 22.33 O ATOM 969 OE2 GLU A 496 -3.280 -6.042 9.579 1.00 24.55 O ATOM 0 H GLU A 496 -8.214 -3.240 11.550 1.00 44.40 H new ATOM 0 HA GLU A 496 -6.376 -1.958 9.636 1.00 30.40 H new ATOM 0 HB2 GLU A 496 -5.041 -2.969 11.506 1.00 44.20 H new ATOM 0 HB3 GLU A 496 -5.820 -4.512 11.220 1.00 44.20 H new ATOM 0 HG2 GLU A 496 -4.898 -4.336 8.802 1.00 71.43 H new ATOM 0 HG3 GLU A 496 -3.891 -3.035 9.405 1.00 71.43 H new ATOM 976 N LYS A 497 -7.223 -3.466 7.811 1.00 22.31 N ATOM 977 CA LYS A 497 -7.755 -4.298 6.721 1.00 42.14 C ATOM 978 C LYS A 497 -6.613 -4.835 5.839 1.00 12.44 C ATOM 979 O LYS A 497 -5.681 -4.103 5.503 1.00 52.44 O ATOM 980 CB LYS A 497 -8.729 -3.486 5.847 1.00 74.12 C ATOM 981 CG LYS A 497 -9.807 -2.737 6.626 1.00 34.32 C ATOM 982 CD LYS A 497 -10.752 -3.668 7.379 1.00 3.01 C ATOM 983 CE LYS A 497 -11.568 -4.545 6.437 1.00 21.33 C ATOM 984 NZ LYS A 497 -12.578 -5.353 7.170 1.00 12.41 N ATOM 0 H LYS A 497 -6.740 -2.625 7.496 1.00 22.31 H new ATOM 0 HA LYS A 497 -8.286 -5.137 7.171 1.00 42.14 H new ATOM 0 HB2 LYS A 497 -8.157 -2.767 5.260 1.00 74.12 H new ATOM 0 HB3 LYS A 497 -9.212 -4.161 5.141 1.00 74.12 H new ATOM 0 HG2 LYS A 497 -9.331 -2.060 7.335 1.00 34.32 H new ATOM 0 HG3 LYS A 497 -10.385 -2.122 5.936 1.00 34.32 H new ATOM 0 HD2 LYS A 497 -10.175 -4.301 8.053 1.00 3.01 H new ATOM 0 HD3 LYS A 497 -11.427 -3.076 7.997 1.00 3.01 H new ATOM 0 HE2 LYS A 497 -12.070 -3.918 5.700 1.00 21.33 H new ATOM 0 HE3 LYS A 497 -10.900 -5.209 5.889 1.00 21.33 H new ATOM 0 HZ1 LYS A 497 -13.113 -5.936 6.495 1.00 12.41 H new ATOM 0 HZ2 LYS A 497 -12.098 -5.970 7.856 1.00 12.41 H new ATOM 0 HZ3 LYS A 497 -13.231 -4.719 7.673 1.00 12.41 H new ATOM 998 N VAL A 498 -6.682 -6.116 5.470 1.00 22.21 N ATOM 999 CA VAL A 498 -5.679 -6.717 4.577 1.00 3.51 C ATOM 1000 C VAL A 498 -6.208 -6.841 3.138 1.00 61.34 C ATOM 1001 O VAL A 498 -7.146 -7.593 2.865 1.00 30.45 O ATOM 1002 CB VAL A 498 -5.226 -8.113 5.082 1.00 11.04 C ATOM 1003 CG1 VAL A 498 -4.185 -8.724 4.143 1.00 14.42 C ATOM 1004 CG2 VAL A 498 -4.678 -8.018 6.507 1.00 11.34 C ATOM 0 H VAL A 498 -7.416 -6.757 5.772 1.00 22.21 H new ATOM 0 HA VAL A 498 -4.819 -6.047 4.581 1.00 3.51 H new ATOM 0 HB VAL A 498 -6.097 -8.768 5.091 1.00 11.04 H new ATOM 0 HG11 VAL A 498 -3.884 -9.702 4.520 1.00 14.42 H new ATOM 0 HG12 VAL A 498 -4.614 -8.835 3.147 1.00 14.42 H new ATOM 0 HG13 VAL A 498 -3.314 -8.071 4.092 1.00 14.42 H new ATOM 0 HG21 VAL A 498 -4.366 -9.007 6.843 1.00 11.34 H new ATOM 0 HG22 VAL A 498 -3.823 -7.342 6.524 1.00 11.34 H new ATOM 0 HG23 VAL A 498 -5.454 -7.637 7.171 1.00 11.34 H new ATOM 1014 N LEU A 499 -5.601 -6.085 2.227 1.00 11.22 N ATOM 1015 CA LEU A 499 -5.963 -6.110 0.806 1.00 4.52 C ATOM 1016 C LEU A 499 -4.839 -6.748 -0.024 1.00 45.14 C ATOM 1017 O LEU A 499 -3.677 -6.385 0.117 1.00 32.05 O ATOM 1018 CB LEU A 499 -6.232 -4.678 0.321 1.00 11.21 C ATOM 1019 CG LEU A 499 -7.344 -3.932 1.086 1.00 33.21 C ATOM 1020 CD1 LEU A 499 -7.401 -2.461 0.675 1.00 2.05 C ATOM 1021 CD2 LEU A 499 -8.696 -4.607 0.860 1.00 35.22 C ATOM 0 H LEU A 499 -4.845 -5.437 2.449 1.00 11.22 H new ATOM 0 HA LEU A 499 -6.865 -6.709 0.680 1.00 4.52 H new ATOM 0 HB2 LEU A 499 -5.309 -4.104 0.400 1.00 11.21 H new ATOM 0 HB3 LEU A 499 -6.498 -4.712 -0.736 1.00 11.21 H new ATOM 0 HG LEU A 499 -7.110 -3.975 2.150 1.00 33.21 H new ATOM 0 HD11 LEU A 499 -8.194 -1.959 1.230 1.00 2.05 H new ATOM 0 HD12 LEU A 499 -6.446 -1.984 0.895 1.00 2.05 H new ATOM 0 HD13 LEU A 499 -7.604 -2.389 -0.393 1.00 2.05 H new ATOM 0 HD21 LEU A 499 -9.468 -4.067 1.407 1.00 35.22 H new ATOM 0 HD22 LEU A 499 -8.933 -4.600 -0.204 1.00 35.22 H new ATOM 0 HD23 LEU A 499 -8.652 -5.637 1.215 1.00 35.22 H new ATOM 1033 N THR A 500 -5.182 -7.693 -0.890 1.00 71.22 N ATOM 1034 CA THR A 500 -4.171 -8.418 -1.677 1.00 11.34 C ATOM 1035 C THR A 500 -4.277 -8.120 -3.176 1.00 62.10 C ATOM 1036 O THR A 500 -5.343 -7.762 -3.684 1.00 52.24 O ATOM 1037 CB THR A 500 -4.274 -9.952 -1.480 1.00 34.14 C ATOM 1038 OG1 THR A 500 -5.627 -10.396 -1.680 1.00 51.21 O ATOM 1039 CG2 THR A 500 -3.796 -10.370 -0.094 1.00 22.30 C ATOM 0 H THR A 500 -6.144 -7.980 -1.070 1.00 71.22 H new ATOM 0 HA THR A 500 -3.209 -8.064 -1.306 1.00 11.34 H new ATOM 0 HB THR A 500 -3.627 -10.421 -2.221 1.00 34.14 H new ATOM 0 HG1 THR A 500 -5.675 -11.367 -1.554 1.00 51.21 H new ATOM 0 HG21 THR A 500 -3.882 -11.452 0.010 1.00 22.30 H new ATOM 0 HG22 THR A 500 -2.755 -10.075 0.036 1.00 22.30 H new ATOM 0 HG23 THR A 500 -4.409 -9.883 0.664 1.00 22.30 H new ATOM 1047 N PHE A 501 -3.157 -8.279 -3.875 1.00 63.31 N ATOM 1048 CA PHE A 501 -3.118 -8.145 -5.333 1.00 21.13 C ATOM 1049 C PHE A 501 -2.124 -9.144 -5.947 1.00 12.30 C ATOM 1050 O PHE A 501 -1.119 -9.499 -5.323 1.00 22.12 O ATOM 1051 CB PHE A 501 -2.754 -6.705 -5.738 1.00 3.31 C ATOM 1052 CG PHE A 501 -1.399 -6.236 -5.255 1.00 41.54 C ATOM 1053 CD1 PHE A 501 -1.257 -5.638 -4.010 1.00 21.11 C ATOM 1054 CD2 PHE A 501 -0.270 -6.381 -6.053 1.00 41.32 C ATOM 1055 CE1 PHE A 501 -0.022 -5.197 -3.574 1.00 64.14 C ATOM 1056 CE2 PHE A 501 0.966 -5.944 -5.618 1.00 44.43 C ATOM 1057 CZ PHE A 501 1.090 -5.353 -4.378 1.00 35.12 C ATOM 0 H PHE A 501 -2.256 -8.503 -3.453 1.00 63.31 H new ATOM 0 HA PHE A 501 -4.112 -8.370 -5.719 1.00 21.13 H new ATOM 0 HB2 PHE A 501 -2.783 -6.629 -6.825 1.00 3.31 H new ATOM 0 HB3 PHE A 501 -3.517 -6.029 -5.351 1.00 3.31 H new ATOM 0 HD1 PHE A 501 -2.122 -5.516 -3.375 1.00 21.11 H new ATOM 0 HD2 PHE A 501 -0.360 -6.841 -7.026 1.00 41.32 H new ATOM 0 HE1 PHE A 501 0.074 -4.730 -2.605 1.00 64.14 H new ATOM 0 HE2 PHE A 501 1.835 -6.065 -6.248 1.00 44.43 H new ATOM 0 HZ PHE A 501 2.056 -5.012 -4.036 1.00 35.12 H new ATOM 1067 N SER A 502 -2.414 -9.596 -7.166 1.00 52.34 N ATOM 1068 CA SER A 502 -1.542 -10.543 -7.877 1.00 72.23 C ATOM 1069 C SER A 502 -0.948 -9.897 -9.137 1.00 3.32 C ATOM 1070 O SER A 502 -1.667 -9.581 -10.091 1.00 53.14 O ATOM 1071 CB SER A 502 -2.330 -11.809 -8.250 1.00 23.14 C ATOM 1072 OG SER A 502 -3.454 -11.500 -9.061 1.00 11.11 O ATOM 0 H SER A 502 -3.247 -9.324 -7.687 1.00 52.34 H new ATOM 0 HA SER A 502 -0.721 -10.818 -7.215 1.00 72.23 H new ATOM 0 HB2 SER A 502 -1.677 -12.503 -8.780 1.00 23.14 H new ATOM 0 HB3 SER A 502 -2.662 -12.313 -7.342 1.00 23.14 H new ATOM 0 HG SER A 502 -3.193 -10.853 -9.749 1.00 11.11 H new ATOM 1078 N TRP A 503 0.370 -9.719 -9.141 1.00 33.24 N ATOM 1079 CA TRP A 503 1.065 -8.998 -10.216 1.00 20.11 C ATOM 1080 C TRP A 503 1.984 -9.923 -11.029 1.00 12.21 C ATOM 1081 O TRP A 503 2.688 -10.768 -10.471 1.00 61.24 O ATOM 1082 CB TRP A 503 1.870 -7.836 -9.612 1.00 51.42 C ATOM 1083 CG TRP A 503 2.685 -7.062 -10.611 1.00 23.33 C ATOM 1084 CD1 TRP A 503 2.235 -6.465 -11.755 1.00 12.42 C ATOM 1085 CD2 TRP A 503 4.090 -6.785 -10.540 1.00 21.21 C ATOM 1086 NE1 TRP A 503 3.275 -5.843 -12.401 1.00 34.02 N ATOM 1087 CE2 TRP A 503 4.423 -6.025 -11.677 1.00 32.54 C ATOM 1088 CE3 TRP A 503 5.097 -7.109 -9.627 1.00 42.11 C ATOM 1089 CZ2 TRP A 503 5.721 -5.583 -11.922 1.00 12.45 C ATOM 1090 CZ3 TRP A 503 6.385 -6.671 -9.873 1.00 43.33 C ATOM 1091 CH2 TRP A 503 6.686 -5.915 -11.012 1.00 31.13 C ATOM 0 H TRP A 503 0.988 -10.066 -8.407 1.00 33.24 H new ATOM 0 HA TRP A 503 0.315 -8.609 -10.904 1.00 20.11 H new ATOM 0 HB2 TRP A 503 1.182 -7.153 -9.115 1.00 51.42 H new ATOM 0 HB3 TRP A 503 2.536 -8.231 -8.845 1.00 51.42 H new ATOM 0 HD1 TRP A 503 1.212 -6.480 -12.100 1.00 12.42 H new ATOM 0 HE1 TRP A 503 3.204 -5.328 -13.279 1.00 34.02 H new ATOM 0 HE3 TRP A 503 4.873 -7.691 -8.745 1.00 42.11 H new ATOM 0 HZ2 TRP A 503 5.957 -4.999 -12.799 1.00 12.45 H new ATOM 0 HZ3 TRP A 503 7.172 -6.916 -9.175 1.00 43.33 H new ATOM 0 HH2 TRP A 503 7.702 -5.587 -11.175 1.00 31.13 H new ATOM 1102 N THR A 504 1.956 -9.762 -12.352 1.00 3.15 N ATOM 1103 CA THR A 504 2.825 -10.531 -13.258 1.00 4.12 C ATOM 1104 C THR A 504 3.804 -9.609 -14.007 1.00 12.00 C ATOM 1105 O THR A 504 3.422 -8.927 -14.964 1.00 51.01 O ATOM 1106 CB THR A 504 2.001 -11.336 -14.298 1.00 23.41 C ATOM 1107 OG1 THR A 504 1.113 -12.248 -13.631 1.00 33.14 O ATOM 1108 CG2 THR A 504 2.910 -12.118 -15.245 1.00 51.41 C ATOM 0 H THR A 504 1.339 -9.103 -12.827 1.00 3.15 H new ATOM 0 HA THR A 504 3.385 -11.227 -12.633 1.00 4.12 H new ATOM 0 HB THR A 504 1.423 -10.621 -14.884 1.00 23.41 H new ATOM 0 HG1 THR A 504 0.597 -12.749 -14.297 1.00 33.14 H new ATOM 0 HG21 THR A 504 2.301 -12.671 -15.960 1.00 51.41 H new ATOM 0 HG22 THR A 504 3.560 -11.426 -15.780 1.00 51.41 H new ATOM 0 HG23 THR A 504 3.519 -12.817 -14.671 1.00 51.41 H new ATOM 1116 N PRO A 505 5.080 -9.558 -13.574 1.00 54.33 N ATOM 1117 CA PRO A 505 6.111 -8.740 -14.239 1.00 74.21 C ATOM 1118 C PRO A 505 6.546 -9.313 -15.603 1.00 2.12 C ATOM 1119 O PRO A 505 7.348 -10.243 -15.675 1.00 55.31 O ATOM 1120 CB PRO A 505 7.276 -8.765 -13.240 1.00 24.44 C ATOM 1121 CG PRO A 505 7.106 -10.050 -12.499 1.00 71.43 C ATOM 1122 CD PRO A 505 5.618 -10.275 -12.396 1.00 44.11 C ATOM 0 HA PRO A 505 5.748 -7.739 -14.470 1.00 74.21 H new ATOM 0 HB2 PRO A 505 8.238 -8.726 -13.751 1.00 24.44 H new ATOM 0 HB3 PRO A 505 7.239 -7.910 -12.565 1.00 24.44 H new ATOM 0 HG2 PRO A 505 7.590 -10.872 -13.027 1.00 71.43 H new ATOM 0 HG3 PRO A 505 7.562 -9.994 -11.510 1.00 71.43 H new ATOM 0 HD2 PRO A 505 5.369 -11.336 -12.423 1.00 44.11 H new ATOM 0 HD3 PRO A 505 5.215 -9.877 -11.465 1.00 44.11 H new ATOM 1130 N THR A 506 5.999 -8.761 -16.684 1.00 13.33 N ATOM 1131 CA THR A 506 6.348 -9.193 -18.048 1.00 64.33 C ATOM 1132 C THR A 506 7.742 -8.697 -18.468 1.00 75.34 C ATOM 1133 O THR A 506 8.364 -9.250 -19.376 1.00 31.41 O ATOM 1134 CB THR A 506 5.310 -8.686 -19.074 1.00 62.25 C ATOM 1135 OG1 THR A 506 5.125 -7.270 -18.916 1.00 33.12 O ATOM 1136 CG2 THR A 506 3.974 -9.401 -18.904 1.00 4.21 C ATOM 0 H THR A 506 5.309 -8.010 -16.648 1.00 13.33 H new ATOM 0 HA THR A 506 6.351 -10.283 -18.035 1.00 64.33 H new ATOM 0 HB THR A 506 5.686 -8.899 -20.075 1.00 62.25 H new ATOM 0 HG1 THR A 506 4.468 -6.951 -19.569 1.00 33.12 H new ATOM 0 HG21 THR A 506 3.263 -9.024 -19.639 1.00 4.21 H new ATOM 0 HG22 THR A 506 4.113 -10.472 -19.050 1.00 4.21 H new ATOM 0 HG23 THR A 506 3.589 -9.219 -17.901 1.00 4.21 H new ATOM 1144 N GLN A 507 8.217 -7.644 -17.812 1.00 54.12 N ATOM 1145 CA GLN A 507 9.560 -7.105 -18.057 1.00 71.44 C ATOM 1146 C GLN A 507 10.473 -7.320 -16.840 1.00 42.41 C ATOM 1147 O GLN A 507 10.036 -7.180 -15.695 1.00 15.24 O ATOM 1148 CB GLN A 507 9.473 -5.609 -18.388 1.00 2.41 C ATOM 1149 CG GLN A 507 8.811 -5.314 -19.729 1.00 12.33 C ATOM 1150 CD GLN A 507 8.561 -3.830 -19.947 1.00 11.33 C ATOM 1151 OE1 GLN A 507 9.415 -3.108 -20.454 1.00 63.31 O ATOM 1152 NE2 GLN A 507 7.385 -3.364 -19.579 1.00 53.14 N ATOM 0 H GLN A 507 7.690 -7.139 -17.099 1.00 54.12 H new ATOM 0 HA GLN A 507 9.990 -7.638 -18.905 1.00 71.44 H new ATOM 0 HB2 GLN A 507 8.916 -5.104 -17.599 1.00 2.41 H new ATOM 0 HB3 GLN A 507 10.478 -5.187 -18.389 1.00 2.41 H new ATOM 0 HG2 GLN A 507 9.442 -5.694 -20.532 1.00 12.33 H new ATOM 0 HG3 GLN A 507 7.864 -5.850 -19.788 1.00 12.33 H new ATOM 0 HE21 GLN A 507 6.697 -3.990 -19.160 1.00 53.14 H new ATOM 0 HE22 GLN A 507 7.163 -2.378 -19.713 1.00 53.14 H new ATOM 1161 N GLU A 508 11.738 -7.647 -17.091 1.00 64.25 N ATOM 1162 CA GLU A 508 12.704 -7.887 -16.011 1.00 20.11 C ATOM 1163 C GLU A 508 13.378 -6.585 -15.543 1.00 22.23 C ATOM 1164 O GLU A 508 13.503 -5.620 -16.302 1.00 1.42 O ATOM 1165 CB GLU A 508 13.748 -8.934 -16.447 1.00 74.54 C ATOM 1166 CG GLU A 508 14.463 -8.634 -17.767 1.00 30.25 C ATOM 1167 CD GLU A 508 15.645 -7.688 -17.625 1.00 44.12 C ATOM 1168 OE1 GLU A 508 16.663 -8.092 -17.021 1.00 75.23 O ATOM 1169 OE2 GLU A 508 15.574 -6.551 -18.137 1.00 1.31 O ATOM 0 H GLU A 508 12.122 -7.753 -18.030 1.00 64.25 H new ATOM 0 HA GLU A 508 12.156 -8.282 -15.156 1.00 20.11 H new ATOM 0 HB2 GLU A 508 14.497 -9.026 -15.660 1.00 74.54 H new ATOM 0 HB3 GLU A 508 13.254 -9.902 -16.532 1.00 74.54 H new ATOM 0 HG2 GLU A 508 14.810 -9.571 -18.202 1.00 30.25 H new ATOM 0 HG3 GLU A 508 13.747 -8.203 -18.467 1.00 30.25 H new ATOM 1176 N GLY A 509 13.775 -6.554 -14.274 1.00 23.30 N ATOM 1177 CA GLY A 509 14.401 -5.361 -13.709 1.00 70.15 C ATOM 1178 C GLY A 509 14.092 -5.178 -12.226 1.00 41.01 C ATOM 1179 O GLY A 509 13.531 -6.070 -11.589 1.00 41.24 O ATOM 0 H GLY A 509 13.676 -7.332 -13.622 1.00 23.30 H new ATOM 0 HA2 GLY A 509 15.481 -5.423 -13.846 1.00 70.15 H new ATOM 0 HA3 GLY A 509 14.060 -4.483 -14.258 1.00 70.15 H new ATOM 1183 N MET A 510 14.463 -4.027 -11.670 1.00 5.02 N ATOM 1184 CA MET A 510 14.184 -3.729 -10.261 1.00 51.22 C ATOM 1185 C MET A 510 12.932 -2.843 -10.129 1.00 10.52 C ATOM 1186 O MET A 510 12.881 -1.737 -10.670 1.00 53.14 O ATOM 1187 CB MET A 510 15.391 -3.034 -9.616 1.00 4.31 C ATOM 1188 CG MET A 510 15.340 -3.007 -8.095 1.00 60.32 C ATOM 1189 SD MET A 510 15.475 -4.659 -7.377 1.00 74.32 S ATOM 1190 CE MET A 510 15.280 -4.299 -5.633 1.00 72.34 C ATOM 0 H MET A 510 14.956 -3.286 -12.168 1.00 5.02 H new ATOM 0 HA MET A 510 13.998 -4.670 -9.743 1.00 51.22 H new ATOM 0 HB2 MET A 510 16.303 -3.542 -9.931 1.00 4.31 H new ATOM 0 HB3 MET A 510 15.451 -2.011 -9.987 1.00 4.31 H new ATOM 0 HG2 MET A 510 16.149 -2.382 -7.717 1.00 60.32 H new ATOM 0 HG3 MET A 510 14.405 -2.548 -7.773 1.00 60.32 H new ATOM 0 HE1 MET A 510 16.074 -4.790 -5.069 1.00 72.34 H new ATOM 0 HE2 MET A 510 15.335 -3.222 -5.475 1.00 72.34 H new ATOM 0 HE3 MET A 510 14.312 -4.666 -5.292 1.00 72.34 H new ATOM 1200 N TYR A 511 11.924 -3.331 -9.412 1.00 63.31 N ATOM 1201 CA TYR A 511 10.657 -2.605 -9.261 1.00 51.41 C ATOM 1202 C TYR A 511 10.354 -2.294 -7.792 1.00 1.42 C ATOM 1203 O TYR A 511 10.158 -3.198 -6.983 1.00 31.11 O ATOM 1204 CB TYR A 511 9.509 -3.416 -9.868 1.00 63.50 C ATOM 1205 CG TYR A 511 9.656 -3.656 -11.357 1.00 44.11 C ATOM 1206 CD1 TYR A 511 10.356 -4.756 -11.836 1.00 63.21 C ATOM 1207 CD2 TYR A 511 9.099 -2.781 -12.285 1.00 0.41 C ATOM 1208 CE1 TYR A 511 10.496 -4.980 -13.189 1.00 2.41 C ATOM 1209 CE2 TYR A 511 9.234 -2.999 -13.641 1.00 65.33 C ATOM 1210 CZ TYR A 511 9.935 -4.100 -14.087 1.00 41.21 C ATOM 1211 OH TYR A 511 10.070 -4.328 -15.435 1.00 71.21 O ATOM 0 H TYR A 511 11.955 -4.226 -8.924 1.00 63.31 H new ATOM 0 HA TYR A 511 10.755 -1.658 -9.791 1.00 51.41 H new ATOM 0 HB2 TYR A 511 9.445 -4.377 -9.358 1.00 63.50 H new ATOM 0 HB3 TYR A 511 8.570 -2.895 -9.684 1.00 63.50 H new ATOM 0 HD1 TYR A 511 10.799 -5.449 -11.135 1.00 63.21 H new ATOM 0 HD2 TYR A 511 8.552 -1.917 -11.938 1.00 0.41 H new ATOM 0 HE1 TYR A 511 11.043 -5.841 -13.543 1.00 2.41 H new ATOM 0 HE2 TYR A 511 8.794 -2.312 -14.348 1.00 65.33 H new ATOM 0 HH TYR A 511 9.925 -5.279 -15.622 1.00 71.21 H new ATOM 1221 N ARG A 512 10.310 -1.008 -7.452 1.00 70.12 N ATOM 1222 CA ARG A 512 9.985 -0.583 -6.089 1.00 30.02 C ATOM 1223 C ARG A 512 8.478 -0.324 -5.952 1.00 61.03 C ATOM 1224 O ARG A 512 7.941 0.614 -6.543 1.00 34.23 O ATOM 1225 CB ARG A 512 10.766 0.689 -5.714 1.00 62.50 C ATOM 1226 CG ARG A 512 10.770 0.980 -4.214 1.00 61.24 C ATOM 1227 CD ARG A 512 11.439 2.312 -3.881 1.00 72.14 C ATOM 1228 NE ARG A 512 10.540 3.452 -4.066 1.00 50.51 N ATOM 1229 CZ ARG A 512 10.862 4.692 -3.794 1.00 1.22 C ATOM 1230 NH1 ARG A 512 12.071 5.005 -3.452 1.00 15.02 N ATOM 1231 NH2 ARG A 512 9.977 5.630 -3.885 1.00 71.22 N ATOM 0 H ARG A 512 10.495 -0.242 -8.099 1.00 70.12 H new ATOM 0 HA ARG A 512 10.272 -1.385 -5.409 1.00 30.02 H new ATOM 0 HB2 ARG A 512 11.795 0.590 -6.060 1.00 62.50 H new ATOM 0 HB3 ARG A 512 10.334 1.540 -6.240 1.00 62.50 H new ATOM 0 HG2 ARG A 512 9.744 0.990 -3.846 1.00 61.24 H new ATOM 0 HG3 ARG A 512 11.288 0.176 -3.692 1.00 61.24 H new ATOM 0 HD2 ARG A 512 11.787 2.292 -2.848 1.00 72.14 H new ATOM 0 HD3 ARG A 512 12.319 2.441 -4.512 1.00 72.14 H new ATOM 0 HE ARG A 512 9.605 3.269 -4.429 1.00 50.51 H new ATOM 0 HH11 ARG A 512 12.787 4.281 -3.392 1.00 15.02 H new ATOM 0 HH12 ARG A 512 12.307 5.975 -3.243 1.00 15.02 H new ATOM 0 HH21 ARG A 512 9.024 5.406 -4.170 1.00 71.22 H new ATOM 0 HH22 ARG A 512 10.232 6.594 -3.672 1.00 71.22 H new ATOM 1245 N ILE A 513 7.802 -1.154 -5.165 1.00 54.30 N ATOM 1246 CA ILE A 513 6.357 -1.033 -4.969 1.00 31.33 C ATOM 1247 C ILE A 513 6.041 -0.189 -3.723 1.00 4.41 C ATOM 1248 O ILE A 513 6.406 -0.544 -2.601 1.00 74.34 O ATOM 1249 CB ILE A 513 5.694 -2.429 -4.827 1.00 34.22 C ATOM 1250 CG1 ILE A 513 6.003 -3.298 -6.062 1.00 75.31 C ATOM 1251 CG2 ILE A 513 4.183 -2.291 -4.630 1.00 20.33 C ATOM 1252 CD1 ILE A 513 5.401 -4.692 -6.008 1.00 41.43 C ATOM 0 H ILE A 513 8.232 -1.922 -4.649 1.00 54.30 H new ATOM 0 HA ILE A 513 5.950 -0.536 -5.850 1.00 31.33 H new ATOM 0 HB ILE A 513 6.109 -2.920 -3.947 1.00 34.22 H new ATOM 0 HG12 ILE A 513 5.634 -2.789 -6.952 1.00 75.31 H new ATOM 0 HG13 ILE A 513 7.084 -3.385 -6.170 1.00 75.31 H new ATOM 0 HG21 ILE A 513 3.737 -3.281 -4.533 1.00 20.33 H new ATOM 0 HG22 ILE A 513 3.985 -1.713 -3.727 1.00 20.33 H new ATOM 0 HG23 ILE A 513 3.749 -1.781 -5.490 1.00 20.33 H new ATOM 0 HD11 ILE A 513 5.665 -5.238 -6.914 1.00 41.43 H new ATOM 0 HD12 ILE A 513 5.789 -5.222 -5.138 1.00 41.43 H new ATOM 0 HD13 ILE A 513 4.316 -4.617 -5.933 1.00 41.43 H new ATOM 1264 N ASN A 514 5.377 0.943 -3.934 1.00 21.21 N ATOM 1265 CA ASN A 514 4.998 1.845 -2.844 1.00 4.22 C ATOM 1266 C ASN A 514 3.475 1.964 -2.731 1.00 21.02 C ATOM 1267 O ASN A 514 2.783 2.138 -3.731 1.00 24.25 O ATOM 1268 CB ASN A 514 5.604 3.233 -3.069 1.00 5.20 C ATOM 1269 CG ASN A 514 7.123 3.222 -3.028 1.00 13.12 C ATOM 1270 OD1 ASN A 514 7.784 3.036 -4.045 1.00 3.04 O ATOM 1271 ND2 ASN A 514 7.689 3.417 -1.854 1.00 73.42 N ATOM 0 H ASN A 514 5.086 1.262 -4.858 1.00 21.21 H new ATOM 0 HA ASN A 514 5.384 1.426 -1.915 1.00 4.22 H new ATOM 0 HB2 ASN A 514 5.273 3.618 -4.034 1.00 5.20 H new ATOM 0 HB3 ASN A 514 5.229 3.917 -2.308 1.00 5.20 H new ATOM 0 HD21 ASN A 514 8.706 3.416 -1.772 1.00 73.42 H new ATOM 0 HD22 ASN A 514 7.110 3.569 -1.028 1.00 73.42 H new ATOM 1278 N ALA A 515 2.958 1.884 -1.510 1.00 41.21 N ATOM 1279 CA ALA A 515 1.518 2.033 -1.273 1.00 25.11 C ATOM 1280 C ALA A 515 1.227 3.332 -0.521 1.00 15.11 C ATOM 1281 O ALA A 515 1.890 3.649 0.469 1.00 53.53 O ATOM 1282 CB ALA A 515 0.973 0.838 -0.496 1.00 1.34 C ATOM 0 H ALA A 515 3.509 1.717 -0.668 1.00 41.21 H new ATOM 0 HA ALA A 515 1.018 2.073 -2.241 1.00 25.11 H new ATOM 0 HB1 ALA A 515 -0.096 0.969 -0.331 1.00 1.34 H new ATOM 0 HB2 ALA A 515 1.143 -0.075 -1.066 1.00 1.34 H new ATOM 0 HB3 ALA A 515 1.482 0.766 0.465 1.00 1.34 H new ATOM 1288 N THR A 516 0.239 4.085 -0.992 1.00 73.33 N ATOM 1289 CA THR A 516 -0.100 5.380 -0.391 1.00 63.22 C ATOM 1290 C THR A 516 -1.579 5.449 0.004 1.00 11.45 C ATOM 1291 O THR A 516 -2.452 4.959 -0.716 1.00 55.12 O ATOM 1292 CB THR A 516 0.204 6.547 -1.366 1.00 24.23 C ATOM 1293 OG1 THR A 516 -0.640 6.455 -2.525 1.00 10.32 O ATOM 1294 CG2 THR A 516 1.665 6.536 -1.809 1.00 1.24 C ATOM 0 H THR A 516 -0.344 3.825 -1.788 1.00 73.33 H new ATOM 0 HA THR A 516 0.516 5.477 0.503 1.00 63.22 H new ATOM 0 HB THR A 516 0.008 7.479 -0.836 1.00 24.23 H new ATOM 0 HG1 THR A 516 -1.528 6.811 -2.312 1.00 10.32 H new ATOM 0 HG21 THR A 516 1.844 7.367 -2.492 1.00 1.24 H new ATOM 0 HG22 THR A 516 2.311 6.637 -0.937 1.00 1.24 H new ATOM 0 HG23 THR A 516 1.885 5.596 -2.316 1.00 1.24 H new ATOM 1302 N VAL A 517 -1.860 6.055 1.156 1.00 72.14 N ATOM 1303 CA VAL A 517 -3.241 6.294 1.583 1.00 63.35 C ATOM 1304 C VAL A 517 -3.507 7.797 1.775 1.00 14.14 C ATOM 1305 O VAL A 517 -2.652 8.530 2.269 1.00 12.40 O ATOM 1306 CB VAL A 517 -3.572 5.525 2.889 1.00 42.33 C ATOM 1307 CG1 VAL A 517 -2.618 5.910 4.014 1.00 2.14 C ATOM 1308 CG2 VAL A 517 -5.023 5.760 3.303 1.00 44.53 C ATOM 0 H VAL A 517 -1.153 6.390 1.811 1.00 72.14 H new ATOM 0 HA VAL A 517 -3.892 5.921 0.792 1.00 63.35 H new ATOM 0 HB VAL A 517 -3.441 4.461 2.692 1.00 42.33 H new ATOM 0 HG11 VAL A 517 -2.876 5.354 4.916 1.00 2.14 H new ATOM 0 HG12 VAL A 517 -1.595 5.672 3.721 1.00 2.14 H new ATOM 0 HG13 VAL A 517 -2.700 6.979 4.211 1.00 2.14 H new ATOM 0 HG21 VAL A 517 -5.233 5.211 4.221 1.00 44.53 H new ATOM 0 HG22 VAL A 517 -5.185 6.825 3.471 1.00 44.53 H new ATOM 0 HG23 VAL A 517 -5.688 5.412 2.512 1.00 44.53 H new ATOM 1318 N ASP A 518 -4.700 8.231 1.368 1.00 2.13 N ATOM 1319 CA ASP A 518 -5.114 9.643 1.432 1.00 51.43 C ATOM 1320 C ASP A 518 -4.003 10.615 0.966 1.00 21.22 C ATOM 1321 O ASP A 518 -3.563 11.491 1.714 1.00 71.31 O ATOM 1322 CB ASP A 518 -5.608 10.017 2.842 1.00 31.03 C ATOM 1323 CG ASP A 518 -6.371 11.340 2.851 1.00 31.20 C ATOM 1324 OD1 ASP A 518 -6.756 11.819 1.762 1.00 44.41 O ATOM 1325 OD2 ASP A 518 -6.597 11.905 3.940 1.00 45.43 O ATOM 0 H ASP A 518 -5.414 7.614 0.982 1.00 2.13 H new ATOM 0 HA ASP A 518 -5.944 9.751 0.733 1.00 51.43 H new ATOM 0 HB2 ASP A 518 -6.253 9.225 3.222 1.00 31.03 H new ATOM 0 HB3 ASP A 518 -4.756 10.086 3.518 1.00 31.03 H new ATOM 1330 N GLU A 519 -3.550 10.448 -0.279 1.00 32.51 N ATOM 1331 CA GLU A 519 -2.633 11.411 -0.910 1.00 42.02 C ATOM 1332 C GLU A 519 -3.258 12.812 -0.932 1.00 34.14 C ATOM 1333 O GLU A 519 -2.563 13.829 -0.934 1.00 40.05 O ATOM 1334 CB GLU A 519 -2.287 10.980 -2.342 1.00 23.32 C ATOM 1335 CG GLU A 519 -1.612 9.616 -2.432 1.00 51.23 C ATOM 1336 CD GLU A 519 -1.180 9.269 -3.849 1.00 54.03 C ATOM 1337 OE1 GLU A 519 -2.060 9.023 -4.697 1.00 74.33 O ATOM 1338 OE2 GLU A 519 0.037 9.245 -4.124 1.00 31.11 O ATOM 0 H GLU A 519 -3.801 9.657 -0.873 1.00 32.51 H new ATOM 0 HA GLU A 519 -1.717 11.436 -0.320 1.00 42.02 H new ATOM 0 HB2 GLU A 519 -3.201 10.962 -2.936 1.00 23.32 H new ATOM 0 HB3 GLU A 519 -1.632 11.729 -2.788 1.00 23.32 H new ATOM 0 HG2 GLU A 519 -0.741 9.602 -1.777 1.00 51.23 H new ATOM 0 HG3 GLU A 519 -2.297 8.851 -2.067 1.00 51.23 H new ATOM 1345 N GLU A 520 -4.583 12.840 -1.005 1.00 51.53 N ATOM 1346 CA GLU A 520 -5.360 14.080 -1.001 1.00 70.11 C ATOM 1347 C GLU A 520 -5.277 14.802 0.356 1.00 12.24 C ATOM 1348 O GLU A 520 -5.605 15.989 0.453 1.00 44.42 O ATOM 1349 CB GLU A 520 -6.819 13.748 -1.330 1.00 64.24 C ATOM 1350 CG GLU A 520 -7.004 13.116 -2.709 1.00 53.41 C ATOM 1351 CD GLU A 520 -8.324 12.377 -2.869 1.00 73.44 C ATOM 1352 OE1 GLU A 520 -9.362 12.875 -2.386 1.00 20.15 O ATOM 1353 OE2 GLU A 520 -8.328 11.293 -3.494 1.00 52.12 O ATOM 0 H GLU A 520 -5.156 11.998 -1.069 1.00 51.53 H new ATOM 0 HA GLU A 520 -4.945 14.753 -1.752 1.00 70.11 H new ATOM 0 HB2 GLU A 520 -7.208 13.068 -0.572 1.00 64.24 H new ATOM 0 HB3 GLU A 520 -7.412 14.661 -1.275 1.00 64.24 H new ATOM 0 HG2 GLU A 520 -6.939 13.896 -3.468 1.00 53.41 H new ATOM 0 HG3 GLU A 520 -6.184 12.422 -2.894 1.00 53.41 H new ATOM 1360 N ASN A 521 -4.853 14.075 1.394 1.00 11.22 N ATOM 1361 CA ASN A 521 -4.743 14.618 2.757 1.00 33.02 C ATOM 1362 C ASN A 521 -6.046 15.300 3.192 1.00 52.21 C ATOM 1363 O ASN A 521 -6.066 16.475 3.582 1.00 41.32 O ATOM 1364 CB ASN A 521 -3.550 15.575 2.875 1.00 44.00 C ATOM 1365 CG ASN A 521 -2.220 14.846 2.777 1.00 31.40 C ATOM 1366 OD1 ASN A 521 -1.647 14.709 1.704 1.00 70.43 O ATOM 1367 ND2 ASN A 521 -1.710 14.374 3.900 1.00 23.10 N ATOM 0 H ASN A 521 -4.576 13.096 1.317 1.00 11.22 H new ATOM 0 HA ASN A 521 -4.568 13.782 3.434 1.00 33.02 H new ATOM 0 HB2 ASN A 521 -3.610 16.327 2.088 1.00 44.00 H new ATOM 0 HB3 ASN A 521 -3.603 16.105 3.826 1.00 44.00 H new ATOM 0 HD21 ASN A 521 -0.817 13.881 3.887 1.00 23.10 H new ATOM 0 HD22 ASN A 521 -2.209 14.502 4.780 1.00 23.10 H new ATOM 1374 N THR A 522 -7.135 14.545 3.119 1.00 11.53 N ATOM 1375 CA THR A 522 -8.460 15.033 3.513 1.00 51.23 C ATOM 1376 C THR A 522 -8.535 15.287 5.020 1.00 10.23 C ATOM 1377 O THR A 522 -9.408 16.018 5.497 1.00 73.34 O ATOM 1378 CB THR A 522 -9.569 14.023 3.136 1.00 74.22 C ATOM 1379 OG1 THR A 522 -9.414 12.815 3.900 1.00 42.50 O ATOM 1380 CG2 THR A 522 -9.533 13.694 1.645 1.00 31.11 C ATOM 0 H THR A 522 -7.130 13.581 2.787 1.00 11.53 H new ATOM 0 HA THR A 522 -8.617 15.968 2.975 1.00 51.23 H new ATOM 0 HB THR A 522 -10.532 14.480 3.364 1.00 74.22 H new ATOM 0 HG1 THR A 522 -8.476 12.532 3.878 1.00 42.50 H new ATOM 0 HG21 THR A 522 -10.324 12.982 1.410 1.00 31.11 H new ATOM 0 HG22 THR A 522 -9.683 14.606 1.067 1.00 31.11 H new ATOM 0 HG23 THR A 522 -8.566 13.259 1.392 1.00 31.11 H new ATOM 1388 N VAL A 523 -7.618 14.677 5.764 1.00 61.31 N ATOM 1389 CA VAL A 523 -7.580 14.810 7.221 1.00 31.02 C ATOM 1390 C VAL A 523 -6.145 15.029 7.737 1.00 11.14 C ATOM 1391 O VAL A 523 -5.190 14.452 7.218 1.00 0.02 O ATOM 1392 CB VAL A 523 -8.196 13.554 7.896 1.00 60.50 C ATOM 1393 CG1 VAL A 523 -7.459 12.280 7.465 1.00 51.21 C ATOM 1394 CG2 VAL A 523 -8.204 13.697 9.416 1.00 61.20 C ATOM 0 H VAL A 523 -6.885 14.081 5.381 1.00 61.31 H new ATOM 0 HA VAL A 523 -8.170 15.688 7.483 1.00 31.02 H new ATOM 0 HB VAL A 523 -9.231 13.469 7.564 1.00 60.50 H new ATOM 0 HG11 VAL A 523 -7.911 11.416 7.952 1.00 51.21 H new ATOM 0 HG12 VAL A 523 -7.532 12.166 6.383 1.00 51.21 H new ATOM 0 HG13 VAL A 523 -6.410 12.352 7.753 1.00 51.21 H new ATOM 0 HG21 VAL A 523 -8.640 12.804 9.863 1.00 61.20 H new ATOM 0 HG22 VAL A 523 -7.182 13.820 9.775 1.00 61.20 H new ATOM 0 HG23 VAL A 523 -8.795 14.569 9.696 1.00 61.20 H new ATOM 1404 N VAL A 524 -5.995 15.892 8.743 1.00 44.13 N ATOM 1405 CA VAL A 524 -4.701 16.091 9.411 1.00 55.12 C ATOM 1406 C VAL A 524 -4.494 15.017 10.490 1.00 74.31 C ATOM 1407 O VAL A 524 -5.284 14.917 11.433 1.00 62.33 O ATOM 1408 CB VAL A 524 -4.605 17.500 10.053 1.00 2.41 C ATOM 1409 CG1 VAL A 524 -3.262 17.689 10.759 1.00 4.11 C ATOM 1410 CG2 VAL A 524 -4.825 18.589 9.003 1.00 4.02 C ATOM 0 H VAL A 524 -6.752 16.466 9.116 1.00 44.13 H new ATOM 0 HA VAL A 524 -3.920 16.007 8.655 1.00 55.12 H new ATOM 0 HB VAL A 524 -5.393 17.585 10.801 1.00 2.41 H new ATOM 0 HG11 VAL A 524 -3.220 18.685 11.201 1.00 4.11 H new ATOM 0 HG12 VAL A 524 -3.154 16.939 11.543 1.00 4.11 H new ATOM 0 HG13 VAL A 524 -2.453 17.578 10.037 1.00 4.11 H new ATOM 0 HG21 VAL A 524 -4.753 19.569 9.475 1.00 4.02 H new ATOM 0 HG22 VAL A 524 -4.065 18.504 8.226 1.00 4.02 H new ATOM 0 HG23 VAL A 524 -5.813 18.472 8.559 1.00 4.02 H new ATOM 1420 N GLU A 525 -3.435 14.220 10.351 1.00 42.32 N ATOM 1421 CA GLU A 525 -3.234 13.046 11.213 1.00 34.12 C ATOM 1422 C GLU A 525 -2.057 13.220 12.188 1.00 32.42 C ATOM 1423 O GLU A 525 -1.452 14.290 12.274 1.00 23.21 O ATOM 1424 CB GLU A 525 -3.006 11.806 10.341 1.00 34.21 C ATOM 1425 CG GLU A 525 -4.133 11.543 9.348 1.00 71.14 C ATOM 1426 CD GLU A 525 -4.189 10.093 8.906 1.00 43.54 C ATOM 1427 OE1 GLU A 525 -3.416 9.706 8.011 1.00 71.22 O ATOM 1428 OE2 GLU A 525 -4.999 9.332 9.474 1.00 73.04 O ATOM 0 H GLU A 525 -2.704 14.361 9.654 1.00 42.32 H new ATOM 0 HA GLU A 525 -4.134 12.927 11.817 1.00 34.12 H new ATOM 0 HB2 GLU A 525 -2.071 11.924 9.794 1.00 34.21 H new ATOM 0 HB3 GLU A 525 -2.890 10.935 10.986 1.00 34.21 H new ATOM 0 HG2 GLU A 525 -5.085 11.818 9.802 1.00 71.14 H new ATOM 0 HG3 GLU A 525 -4.000 12.181 8.474 1.00 71.14 H new ATOM 1435 N LEU A 526 -1.745 12.156 12.935 1.00 1.31 N ATOM 1436 CA LEU A 526 -0.621 12.175 13.881 1.00 64.15 C ATOM 1437 C LEU A 526 0.726 12.219 13.143 1.00 30.01 C ATOM 1438 O LEU A 526 1.657 12.908 13.565 1.00 62.52 O ATOM 1439 CB LEU A 526 -0.674 10.938 14.790 1.00 33.55 C ATOM 1440 CG LEU A 526 -1.916 10.835 15.692 1.00 22.24 C ATOM 1441 CD1 LEU A 526 -1.892 9.538 16.499 1.00 53.03 C ATOM 1442 CD2 LEU A 526 -2.017 12.050 16.616 1.00 15.03 C ATOM 0 H LEU A 526 -2.253 11.272 12.904 1.00 1.31 H new ATOM 0 HA LEU A 526 -0.709 13.076 14.488 1.00 64.15 H new ATOM 0 HB2 LEU A 526 -0.625 10.046 14.165 1.00 33.55 H new ATOM 0 HB3 LEU A 526 0.214 10.934 15.422 1.00 33.55 H new ATOM 0 HG LEU A 526 -2.800 10.821 15.054 1.00 22.24 H new ATOM 0 HD11 LEU A 526 -2.779 9.486 17.130 1.00 53.03 H new ATOM 0 HD12 LEU A 526 -1.880 8.686 15.819 1.00 53.03 H new ATOM 0 HD13 LEU A 526 -1.000 9.515 17.125 1.00 53.03 H new ATOM 0 HD21 LEU A 526 -2.902 11.956 17.245 1.00 15.03 H new ATOM 0 HD22 LEU A 526 -1.129 12.103 17.246 1.00 15.03 H new ATOM 0 HD23 LEU A 526 -2.092 12.957 16.017 1.00 15.03 H new ATOM 1454 N ASN A 527 0.820 11.479 12.041 1.00 21.15 N ATOM 1455 CA ASN A 527 2.013 11.490 11.187 1.00 33.53 C ATOM 1456 C ASN A 527 1.638 11.786 9.727 1.00 40.54 C ATOM 1457 O ASN A 527 0.829 11.080 9.130 1.00 21.42 O ATOM 1458 CB ASN A 527 2.750 10.148 11.269 1.00 63.01 C ATOM 1459 CG ASN A 527 3.282 9.845 12.658 1.00 52.40 C ATOM 1460 OD1 ASN A 527 4.412 10.185 12.994 1.00 21.21 O ATOM 1461 ND2 ASN A 527 2.479 9.196 13.473 1.00 43.41 N ATOM 0 H ASN A 527 0.080 10.858 11.714 1.00 21.15 H new ATOM 0 HA ASN A 527 2.673 12.279 11.547 1.00 33.53 H new ATOM 0 HB2 ASN A 527 2.074 9.350 10.963 1.00 63.01 H new ATOM 0 HB3 ASN A 527 3.579 10.152 10.562 1.00 63.01 H new ATOM 0 HD21 ASN A 527 2.790 8.961 14.416 1.00 43.41 H new ATOM 0 HD22 ASN A 527 1.545 8.928 13.162 1.00 43.41 H new ATOM 1468 N GLU A 528 2.257 12.811 9.151 1.00 44.54 N ATOM 1469 CA GLU A 528 1.933 13.252 7.787 1.00 15.41 C ATOM 1470 C GLU A 528 2.671 12.418 6.725 1.00 44.11 C ATOM 1471 O GLU A 528 2.230 12.325 5.579 1.00 23.25 O ATOM 1472 CB GLU A 528 2.304 14.734 7.627 1.00 74.45 C ATOM 1473 CG GLU A 528 1.534 15.682 8.549 1.00 0.12 C ATOM 1474 CD GLU A 528 0.115 15.971 8.076 1.00 72.22 C ATOM 1475 OE1 GLU A 528 -0.037 16.754 7.113 1.00 74.50 O ATOM 1476 OE2 GLU A 528 -0.850 15.437 8.669 1.00 3.01 O ATOM 0 H GLU A 528 2.989 13.358 9.604 1.00 44.54 H new ATOM 0 HA GLU A 528 0.863 13.112 7.635 1.00 15.41 H new ATOM 0 HB2 GLU A 528 3.371 14.851 7.815 1.00 74.45 H new ATOM 0 HB3 GLU A 528 2.128 15.030 6.593 1.00 74.45 H new ATOM 0 HG2 GLU A 528 1.494 15.251 9.549 1.00 0.12 H new ATOM 0 HG3 GLU A 528 2.080 16.622 8.629 1.00 0.12 H new ATOM 1483 N ASN A 529 3.797 11.813 7.102 1.00 3.12 N ATOM 1484 CA ASN A 529 4.599 11.013 6.161 1.00 15.21 C ATOM 1485 C ASN A 529 4.418 9.496 6.368 1.00 44.43 C ATOM 1486 O ASN A 529 5.054 8.690 5.688 1.00 40.32 O ATOM 1487 CB ASN A 529 6.082 11.392 6.280 1.00 71.33 C ATOM 1488 CG ASN A 529 6.624 11.243 7.690 1.00 52.42 C ATOM 1489 OD1 ASN A 529 6.184 10.394 8.461 1.00 45.21 O ATOM 1490 ND2 ASN A 529 7.577 12.078 8.043 1.00 54.42 N ATOM 0 H ASN A 529 4.178 11.858 8.047 1.00 3.12 H new ATOM 0 HA ASN A 529 4.240 11.242 5.157 1.00 15.21 H new ATOM 0 HB2 ASN A 529 6.666 10.766 5.605 1.00 71.33 H new ATOM 0 HB3 ASN A 529 6.214 12.423 5.953 1.00 71.33 H new ATOM 0 HD21 ASN A 529 7.973 12.032 8.982 1.00 54.42 H new ATOM 0 HD22 ASN A 529 7.920 12.771 7.378 1.00 54.42 H new ATOM 1497 N ASN A 530 3.526 9.111 7.277 1.00 10.22 N ATOM 1498 CA ASN A 530 3.338 7.693 7.630 1.00 71.23 C ATOM 1499 C ASN A 530 2.333 7.006 6.682 1.00 32.03 C ATOM 1500 O ASN A 530 2.090 5.804 6.777 1.00 53.40 O ATOM 1501 CB ASN A 530 2.859 7.588 9.086 1.00 74.22 C ATOM 1502 CG ASN A 530 2.990 6.190 9.666 1.00 33.11 C ATOM 1503 OD1 ASN A 530 3.877 5.425 9.298 1.00 74.04 O ATOM 1504 ND2 ASN A 530 2.121 5.849 10.597 1.00 71.21 N ATOM 0 H ASN A 530 2.920 9.754 7.786 1.00 10.22 H new ATOM 0 HA ASN A 530 4.294 7.180 7.523 1.00 71.23 H new ATOM 0 HB2 ASN A 530 3.432 8.283 9.700 1.00 74.22 H new ATOM 0 HB3 ASN A 530 1.816 7.900 9.141 1.00 74.22 H new ATOM 0 HD21 ASN A 530 2.175 4.928 11.032 1.00 71.21 H new ATOM 0 HD22 ASN A 530 1.395 6.506 10.882 1.00 71.21 H new ATOM 1511 N ASN A 531 1.779 7.777 5.746 1.00 74.14 N ATOM 1512 CA ASN A 531 0.756 7.272 4.819 1.00 45.41 C ATOM 1513 C ASN A 531 1.361 6.487 3.635 1.00 44.51 C ATOM 1514 O ASN A 531 0.627 5.991 2.777 1.00 34.24 O ATOM 1515 CB ASN A 531 -0.073 8.442 4.275 1.00 43.24 C ATOM 1516 CG ASN A 531 -0.608 9.338 5.373 1.00 34.31 C ATOM 1517 OD1 ASN A 531 0.025 10.319 5.748 1.00 34.55 O ATOM 1518 ND2 ASN A 531 -1.765 9.005 5.898 1.00 14.34 N ATOM 0 H ASN A 531 2.020 8.758 5.606 1.00 74.14 H new ATOM 0 HA ASN A 531 0.127 6.584 5.384 1.00 45.41 H new ATOM 0 HB2 ASN A 531 0.542 9.033 3.596 1.00 43.24 H new ATOM 0 HB3 ASN A 531 -0.907 8.051 3.692 1.00 43.24 H new ATOM 0 HD21 ASN A 531 -2.168 9.570 6.645 1.00 14.34 H new ATOM 0 HD22 ASN A 531 -2.261 8.181 5.558 1.00 14.34 H new ATOM 1525 N VAL A 532 2.691 6.381 3.580 1.00 42.33 N ATOM 1526 CA VAL A 532 3.366 5.720 2.449 1.00 61.12 C ATOM 1527 C VAL A 532 4.290 4.580 2.912 1.00 22.31 C ATOM 1528 O VAL A 532 5.132 4.766 3.794 1.00 51.04 O ATOM 1529 CB VAL A 532 4.197 6.738 1.620 1.00 15.20 C ATOM 1530 CG1 VAL A 532 4.860 6.059 0.417 1.00 40.31 C ATOM 1531 CG2 VAL A 532 3.326 7.914 1.170 1.00 55.42 C ATOM 0 H VAL A 532 3.322 6.740 4.297 1.00 42.33 H new ATOM 0 HA VAL A 532 2.577 5.298 1.826 1.00 61.12 H new ATOM 0 HB VAL A 532 4.987 7.127 2.262 1.00 15.20 H new ATOM 0 HG11 VAL A 532 5.435 6.795 -0.145 1.00 40.31 H new ATOM 0 HG12 VAL A 532 5.525 5.269 0.766 1.00 40.31 H new ATOM 0 HG13 VAL A 532 4.093 5.629 -0.227 1.00 40.31 H new ATOM 0 HG21 VAL A 532 3.930 8.613 0.591 1.00 55.42 H new ATOM 0 HG22 VAL A 532 2.507 7.545 0.553 1.00 55.42 H new ATOM 0 HG23 VAL A 532 2.921 8.422 2.045 1.00 55.42 H new ATOM 1541 N ALA A 533 4.137 3.407 2.296 1.00 32.05 N ATOM 1542 CA ALA A 533 4.989 2.245 2.589 1.00 13.41 C ATOM 1543 C ALA A 533 5.847 1.868 1.376 1.00 31.41 C ATOM 1544 O ALA A 533 5.397 1.955 0.233 1.00 33.12 O ATOM 1545 CB ALA A 533 4.142 1.053 3.014 1.00 42.32 C ATOM 0 H ALA A 533 3.427 3.232 1.585 1.00 32.05 H new ATOM 0 HA ALA A 533 5.653 2.520 3.409 1.00 13.41 H new ATOM 0 HB1 ALA A 533 4.791 0.203 3.226 1.00 42.32 H new ATOM 0 HB2 ALA A 533 3.576 1.310 3.909 1.00 42.32 H new ATOM 0 HB3 ALA A 533 3.453 0.792 2.211 1.00 42.32 H new ATOM 1551 N THR A 534 7.082 1.448 1.634 1.00 35.41 N ATOM 1552 CA THR A 534 8.025 1.087 0.566 1.00 33.13 C ATOM 1553 C THR A 534 8.412 -0.400 0.619 1.00 42.12 C ATOM 1554 O THR A 534 8.772 -0.922 1.676 1.00 3.43 O ATOM 1555 CB THR A 534 9.316 1.940 0.657 1.00 4.13 C ATOM 1556 OG1 THR A 534 8.985 3.335 0.612 1.00 51.21 O ATOM 1557 CG2 THR A 534 10.281 1.614 -0.479 1.00 2.32 C ATOM 0 H THR A 534 7.460 1.347 2.576 1.00 35.41 H new ATOM 0 HA THR A 534 7.515 1.284 -0.377 1.00 33.13 H new ATOM 0 HB THR A 534 9.804 1.704 1.602 1.00 4.13 H new ATOM 0 HG1 THR A 534 9.805 3.868 0.671 1.00 51.21 H new ATOM 0 HG21 THR A 534 11.175 2.230 -0.385 1.00 2.32 H new ATOM 0 HG22 THR A 534 10.559 0.561 -0.430 1.00 2.32 H new ATOM 0 HG23 THR A 534 9.799 1.818 -1.435 1.00 2.32 H new ATOM 1565 N PHE A 535 8.316 -1.079 -0.523 1.00 12.54 N ATOM 1566 CA PHE A 535 8.767 -2.472 -0.648 1.00 43.44 C ATOM 1567 C PHE A 535 9.402 -2.705 -2.030 1.00 43.11 C ATOM 1568 O PHE A 535 8.739 -2.566 -3.055 1.00 61.45 O ATOM 1569 CB PHE A 535 7.584 -3.426 -0.430 1.00 32.34 C ATOM 1570 CG PHE A 535 7.970 -4.884 -0.344 1.00 41.22 C ATOM 1571 CD1 PHE A 535 8.355 -5.441 0.869 1.00 61.25 C ATOM 1572 CD2 PHE A 535 7.940 -5.698 -1.469 1.00 51.02 C ATOM 1573 CE1 PHE A 535 8.703 -6.776 0.956 1.00 71.24 C ATOM 1574 CE2 PHE A 535 8.288 -7.033 -1.385 1.00 65.53 C ATOM 1575 CZ PHE A 535 8.669 -7.573 -0.172 1.00 60.01 C ATOM 0 H PHE A 535 7.928 -0.688 -1.382 1.00 12.54 H new ATOM 0 HA PHE A 535 9.521 -2.671 0.113 1.00 43.44 H new ATOM 0 HB2 PHE A 535 7.069 -3.144 0.488 1.00 32.34 H new ATOM 0 HB3 PHE A 535 6.873 -3.298 -1.247 1.00 32.34 H new ATOM 0 HD1 PHE A 535 8.383 -4.824 1.755 1.00 61.25 H new ATOM 0 HD2 PHE A 535 7.641 -5.283 -2.420 1.00 51.02 H new ATOM 0 HE1 PHE A 535 9.001 -7.196 1.905 1.00 71.24 H new ATOM 0 HE2 PHE A 535 8.262 -7.654 -2.268 1.00 65.53 H new ATOM 0 HZ PHE A 535 8.940 -8.616 -0.106 1.00 60.01 H new ATOM 1585 N ASP A 536 10.685 -3.052 -2.057 1.00 32.22 N ATOM 1586 CA ASP A 536 11.415 -3.231 -3.321 1.00 23.11 C ATOM 1587 C ASP A 536 11.465 -4.707 -3.763 1.00 5.44 C ATOM 1588 O ASP A 536 11.740 -5.603 -2.964 1.00 14.44 O ATOM 1589 CB ASP A 536 12.832 -2.650 -3.189 1.00 51.24 C ATOM 1590 CG ASP A 536 13.573 -3.168 -1.966 1.00 60.43 C ATOM 1591 OD1 ASP A 536 13.174 -2.822 -0.830 1.00 42.11 O ATOM 1592 OD2 ASP A 536 14.560 -3.910 -2.128 1.00 4.40 O ATOM 0 H ASP A 536 11.246 -3.216 -1.221 1.00 32.22 H new ATOM 0 HA ASP A 536 10.875 -2.691 -4.098 1.00 23.11 H new ATOM 0 HB2 ASP A 536 13.404 -2.894 -4.084 1.00 51.24 H new ATOM 0 HB3 ASP A 536 12.770 -1.563 -3.137 1.00 51.24 H new ATOM 1597 N VAL A 537 11.191 -4.945 -5.050 1.00 34.32 N ATOM 1598 CA VAL A 537 11.161 -6.301 -5.617 1.00 62.22 C ATOM 1599 C VAL A 537 12.121 -6.434 -6.816 1.00 74.21 C ATOM 1600 O VAL A 537 12.202 -5.543 -7.664 1.00 71.31 O ATOM 1601 CB VAL A 537 9.731 -6.682 -6.082 1.00 64.22 C ATOM 1602 CG1 VAL A 537 9.693 -8.109 -6.630 1.00 70.03 C ATOM 1603 CG2 VAL A 537 8.725 -6.508 -4.944 1.00 5.05 C ATOM 0 H VAL A 537 10.985 -4.209 -5.726 1.00 34.32 H new ATOM 0 HA VAL A 537 11.480 -6.978 -4.824 1.00 62.22 H new ATOM 0 HB VAL A 537 9.450 -6.006 -6.890 1.00 64.22 H new ATOM 0 HG11 VAL A 537 8.679 -8.350 -6.949 1.00 70.03 H new ATOM 0 HG12 VAL A 537 10.369 -8.190 -7.481 1.00 70.03 H new ATOM 0 HG13 VAL A 537 10.004 -8.806 -5.852 1.00 70.03 H new ATOM 0 HG21 VAL A 537 7.729 -6.781 -5.294 1.00 5.05 H new ATOM 0 HG22 VAL A 537 9.005 -7.150 -4.109 1.00 5.05 H new ATOM 0 HG23 VAL A 537 8.722 -5.468 -4.617 1.00 5.05 H new ATOM 1613 N SER A 538 12.839 -7.552 -6.883 1.00 12.44 N ATOM 1614 CA SER A 538 13.758 -7.829 -7.998 1.00 75.04 C ATOM 1615 C SER A 538 13.166 -8.862 -8.970 1.00 21.12 C ATOM 1616 O SER A 538 12.748 -9.945 -8.558 1.00 43.11 O ATOM 1617 CB SER A 538 15.104 -8.342 -7.463 1.00 61.14 C ATOM 1618 OG SER A 538 16.000 -8.652 -8.523 1.00 30.13 O ATOM 0 H SER A 538 12.806 -8.288 -6.177 1.00 12.44 H new ATOM 0 HA SER A 538 13.911 -6.895 -8.539 1.00 75.04 H new ATOM 0 HB2 SER A 538 15.551 -7.588 -6.816 1.00 61.14 H new ATOM 0 HB3 SER A 538 14.940 -9.230 -6.852 1.00 61.14 H new ATOM 0 HG SER A 538 16.848 -8.974 -8.151 1.00 30.13 H new ATOM 1624 N VAL A 539 13.130 -8.523 -10.260 1.00 54.31 N ATOM 1625 CA VAL A 539 12.613 -9.432 -11.294 1.00 51.20 C ATOM 1626 C VAL A 539 13.739 -9.923 -12.218 1.00 73.01 C ATOM 1627 O VAL A 539 14.484 -9.119 -12.791 1.00 43.13 O ATOM 1628 CB VAL A 539 11.516 -8.749 -12.151 1.00 43.42 C ATOM 1629 CG1 VAL A 539 10.932 -9.729 -13.171 1.00 54.44 C ATOM 1630 CG2 VAL A 539 10.417 -8.169 -11.261 1.00 22.31 C ATOM 0 H VAL A 539 13.453 -7.624 -10.618 1.00 54.31 H new ATOM 0 HA VAL A 539 12.178 -10.285 -10.774 1.00 51.20 H new ATOM 0 HB VAL A 539 11.977 -7.927 -12.700 1.00 43.42 H new ATOM 0 HG11 VAL A 539 10.165 -9.227 -13.760 1.00 54.44 H new ATOM 0 HG12 VAL A 539 11.724 -10.081 -13.832 1.00 54.44 H new ATOM 0 HG13 VAL A 539 10.491 -10.578 -12.649 1.00 54.44 H new ATOM 0 HG21 VAL A 539 9.658 -7.695 -11.883 1.00 22.31 H new ATOM 0 HG22 VAL A 539 9.961 -8.969 -10.678 1.00 22.31 H new ATOM 0 HG23 VAL A 539 10.848 -7.429 -10.586 1.00 22.31 H new ATOM 1640 N VAL A 540 13.854 -11.245 -12.365 1.00 31.34 N ATOM 1641 CA VAL A 540 14.921 -11.854 -13.180 1.00 61.35 C ATOM 1642 C VAL A 540 14.367 -12.721 -14.330 1.00 72.52 C ATOM 1643 O VAL A 540 13.194 -13.099 -14.334 1.00 34.41 O ATOM 1644 CB VAL A 540 15.863 -12.718 -12.300 1.00 71.04 C ATOM 1645 CG1 VAL A 540 16.611 -11.846 -11.289 1.00 50.52 C ATOM 1646 CG2 VAL A 540 15.076 -13.819 -11.588 1.00 62.10 C ATOM 0 H VAL A 540 13.223 -11.919 -11.932 1.00 31.34 H new ATOM 0 HA VAL A 540 15.479 -11.027 -13.619 1.00 61.35 H new ATOM 0 HB VAL A 540 16.599 -13.191 -12.950 1.00 71.04 H new ATOM 0 HG11 VAL A 540 17.266 -12.472 -10.683 1.00 50.52 H new ATOM 0 HG12 VAL A 540 17.208 -11.104 -11.820 1.00 50.52 H new ATOM 0 HG13 VAL A 540 15.893 -11.340 -10.644 1.00 50.52 H new ATOM 0 HG21 VAL A 540 15.754 -14.414 -10.976 1.00 62.10 H new ATOM 0 HG22 VAL A 540 14.314 -13.368 -10.952 1.00 62.10 H new ATOM 0 HG23 VAL A 540 14.598 -14.461 -12.328 1.00 62.10 H new ATOM 1656 N LEU A 541 15.228 -13.042 -15.300 1.00 43.02 N ATOM 1657 CA LEU A 541 14.838 -13.866 -16.461 1.00 33.51 C ATOM 1658 C LEU A 541 15.006 -15.373 -16.197 1.00 72.54 C ATOM 1659 O LEU A 541 14.918 -16.184 -17.123 1.00 31.23 O ATOM 1660 CB LEU A 541 15.676 -13.482 -17.692 1.00 34.52 C ATOM 1661 CG LEU A 541 15.385 -12.102 -18.299 1.00 5.41 C ATOM 1662 CD1 LEU A 541 16.326 -11.824 -19.470 1.00 20.54 C ATOM 1663 CD2 LEU A 541 13.926 -12.004 -18.747 1.00 70.13 C ATOM 0 H LEU A 541 16.204 -12.745 -15.309 1.00 43.02 H new ATOM 0 HA LEU A 541 13.781 -13.669 -16.642 1.00 33.51 H new ATOM 0 HB2 LEU A 541 16.730 -13.521 -17.416 1.00 34.52 H new ATOM 0 HB3 LEU A 541 15.520 -14.237 -18.463 1.00 34.52 H new ATOM 0 HG LEU A 541 15.557 -11.347 -17.531 1.00 5.41 H new ATOM 0 HD11 LEU A 541 16.106 -10.842 -19.888 1.00 20.54 H new ATOM 0 HD12 LEU A 541 17.358 -11.847 -19.121 1.00 20.54 H new ATOM 0 HD13 LEU A 541 16.186 -12.585 -20.238 1.00 20.54 H new ATOM 0 HD21 LEU A 541 13.742 -11.018 -19.174 1.00 70.13 H new ATOM 0 HD22 LEU A 541 13.724 -12.768 -19.498 1.00 70.13 H new ATOM 0 HD23 LEU A 541 13.271 -12.156 -17.889 1.00 70.13 H new ATOM 1675 N GLU A 542 15.244 -15.751 -14.946 1.00 24.40 N ATOM 1676 CA GLU A 542 15.492 -17.160 -14.594 1.00 43.05 C ATOM 1677 C GLU A 542 14.544 -17.664 -13.487 1.00 0.11 C ATOM 1678 O GLU A 542 14.439 -17.004 -12.429 1.00 38.64 O ATOM 1679 CB GLU A 542 16.963 -17.348 -14.186 1.00 30.33 C ATOM 1680 CG GLU A 542 17.433 -16.405 -13.080 1.00 41.21 C ATOM 1681 CD GLU A 542 18.926 -16.504 -12.829 1.00 52.30 C ATOM 1682 OE1 GLU A 542 19.700 -15.872 -13.581 1.00 10.14 O ATOM 1683 OE2 GLU A 542 19.336 -17.211 -11.881 1.00 13.54 O ATOM 0 H GLU A 542 15.272 -15.109 -14.154 1.00 24.40 H new ATOM 0 HA GLU A 542 15.286 -17.763 -15.478 1.00 43.05 H new ATOM 0 HB2 GLU A 542 17.108 -18.377 -13.856 1.00 30.33 H new ATOM 0 HB3 GLU A 542 17.593 -17.203 -15.064 1.00 30.33 H new ATOM 0 HG2 GLU A 542 17.180 -15.380 -13.349 1.00 41.21 H new ATOM 0 HG3 GLU A 542 16.897 -16.634 -12.159 1.00 41.21 H new TER 1690 GLU A 542