USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=26 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= -2.11! C(o=-2.2!,f=-7.3!) USER MOD Set 1.2: A 534 THR OG1 : rot 180:sc= -0.0453 USER MOD Set 2.1: A 472 SER OG : rot -39:sc= 1.54 USER MOD Set 2.2: A 522 THR OG1 : rot -174:sc= 1.05 USER MOD Set 3.1: A 441 THR OG1 : rot 126:sc= 0.59 USER MOD Set 3.2: A 530 ASN : amide:sc= -1.6! X(o=-1!,f=-1.4) USER MOD Single : A 435 MET CE :methyl -161:sc= -0.176 (180deg=-0.693) USER MOD Single : A 445 LYS NZ :NH3+ -166:sc= -0.0628 (180deg=-0.385) USER MOD Single : A 453 ASN :FLIP amide:sc= -1.47 F(o=-2.8!,f=-1.5) USER MOD Single : A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 TYR OH : rot -144:sc= 0.273 USER MOD Single : A 461 HIS : no HD1:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 463 LYS NZ :NH3+ 143:sc= 2.31 (180deg=-0.223) USER MOD Single : A 464 ASN : amide:sc= 0.645 K(o=0.65,f=-9.2!) USER MOD Single : A 473 THR OG1 : rot 99:sc= 0.202 USER MOD Single : A 474 LYS NZ :NH3+ -172:sc= 1.04 (180deg=1) USER MOD Single : A 478 TYR OH : rot 38:sc= 0.492 USER MOD Single : A 480 ASN : amide:sc= -0.865! C(o=-0.87!,f=-3.9!) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 TYR OH : rot 68:sc= 0.0334 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) USER MOD Single : A 488 THR OG1 : rot 180:sc= 0 USER MOD Single : A 490 SER OG : rot 21:sc= 0.0403 USER MOD Single : A 494 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 40:sc= 0.225 USER MOD Single : A 504 THR OG1 : rot 180:sc= 0 USER MOD Single : A 506 THR OG1 : rot 180:sc= 0 USER MOD Single : A 507 GLN : amide:sc=-0.00263 K(o=-0.0026,f=-5.3!) USER MOD Single : A 510 MET CE :methyl 145:sc= -0.787 (180deg=-2.08!) USER MOD Single : A 511 TYR OH : rot 28:sc= 0.69 USER MOD Single : A 516 THR OG1 : rot 70:sc= -0.359 USER MOD Single : A 521 ASN :FLIP amide:sc= -0.0118 F(o=-1.3,f=-0.012) USER MOD Single : A 527 ASN : amide:sc= -1.69! C(o=-1.7!,f=-11!) USER MOD Single : A 529 ASN :FLIP amide:sc= -0.0999 F(o=-1.1,f=-0.1) USER MOD Single : A 531 ASN : amide:sc= -0.572 K(o=-0.57,f=-4.4!) USER MOD Single : A 538 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 435 -10.957 16.666 20.870 1.00 15.03 N ATOM 2 CA MET A 435 -10.411 16.730 19.487 1.00 74.33 C ATOM 3 C MET A 435 -9.450 15.563 19.214 1.00 40.15 C ATOM 4 O MET A 435 -8.294 15.581 19.636 1.00 30.12 O ATOM 5 CB MET A 435 -9.686 18.065 19.262 1.00 70.20 C ATOM 6 CG MET A 435 -9.179 18.260 17.836 1.00 55.34 C ATOM 7 SD MET A 435 -8.260 19.800 17.623 1.00 43.14 S ATOM 8 CE MET A 435 -9.494 21.007 18.099 1.00 23.20 C ATOM 0 HA MET A 435 -11.249 16.654 18.794 1.00 74.33 H new ATOM 0 HB2 MET A 435 -10.363 18.882 19.511 1.00 70.20 H new ATOM 0 HB3 MET A 435 -8.842 18.130 19.949 1.00 70.20 H new ATOM 0 HG2 MET A 435 -8.539 17.420 17.565 1.00 55.34 H new ATOM 0 HG3 MET A 435 -10.026 18.250 17.150 1.00 55.34 H new ATOM 0 HE1 MET A 435 -9.214 21.986 17.711 1.00 23.20 H new ATOM 0 HE2 MET A 435 -10.462 20.718 17.690 1.00 23.20 H new ATOM 0 HE3 MET A 435 -9.558 21.052 19.186 1.00 23.20 H new ATOM 20 N GLU A 436 -9.940 14.542 18.511 1.00 14.52 N ATOM 21 CA GLU A 436 -9.135 13.358 18.191 1.00 63.41 C ATOM 22 C GLU A 436 -8.553 13.451 16.774 1.00 63.25 C ATOM 23 O GLU A 436 -9.237 13.867 15.836 1.00 53.12 O ATOM 24 CB GLU A 436 -9.978 12.076 18.320 1.00 20.13 C ATOM 25 CG GLU A 436 -10.489 11.785 19.733 1.00 53.52 C ATOM 26 CD GLU A 436 -11.569 12.754 20.199 1.00 12.41 C ATOM 27 OE1 GLU A 436 -12.749 12.556 19.835 1.00 24.30 O ATOM 28 OE2 GLU A 436 -11.248 13.713 20.933 1.00 62.32 O ATOM 0 H GLU A 436 -10.893 14.509 18.150 1.00 14.52 H new ATOM 0 HA GLU A 436 -8.312 13.318 18.904 1.00 63.41 H new ATOM 0 HB2 GLU A 436 -10.833 12.150 17.648 1.00 20.13 H new ATOM 0 HB3 GLU A 436 -9.380 11.229 17.983 1.00 20.13 H new ATOM 0 HG2 GLU A 436 -10.884 10.770 19.766 1.00 53.52 H new ATOM 0 HG3 GLU A 436 -9.651 11.824 20.429 1.00 53.52 H new ATOM 35 N PHE A 437 -7.294 13.050 16.625 1.00 62.04 N ATOM 36 CA PHE A 437 -6.608 13.081 15.327 1.00 52.43 C ATOM 37 C PHE A 437 -6.308 11.655 14.829 1.00 33.44 C ATOM 38 O PHE A 437 -5.792 10.827 15.582 1.00 12.11 O ATOM 39 CB PHE A 437 -5.293 13.867 15.435 1.00 61.24 C ATOM 40 CG PHE A 437 -5.457 15.288 15.915 1.00 75.51 C ATOM 41 CD1 PHE A 437 -5.681 16.319 15.015 1.00 21.31 C ATOM 42 CD2 PHE A 437 -5.384 15.589 17.270 1.00 45.34 C ATOM 43 CE1 PHE A 437 -5.829 17.621 15.456 1.00 34.43 C ATOM 44 CE2 PHE A 437 -5.532 16.889 17.712 1.00 60.43 C ATOM 45 CZ PHE A 437 -5.753 17.906 16.804 1.00 12.55 C ATOM 0 H PHE A 437 -6.720 12.696 17.391 1.00 62.04 H new ATOM 0 HA PHE A 437 -7.269 13.573 14.613 1.00 52.43 H new ATOM 0 HB2 PHE A 437 -4.624 13.341 16.116 1.00 61.24 H new ATOM 0 HB3 PHE A 437 -4.809 13.879 14.458 1.00 61.24 H new ATOM 0 HD1 PHE A 437 -5.740 16.103 13.959 1.00 21.31 H new ATOM 0 HD2 PHE A 437 -5.210 14.798 17.985 1.00 45.34 H new ATOM 0 HE1 PHE A 437 -6.004 18.415 14.745 1.00 34.43 H new ATOM 0 HE2 PHE A 437 -5.475 17.110 18.768 1.00 60.43 H new ATOM 0 HZ PHE A 437 -5.866 18.923 17.149 1.00 12.55 H new ATOM 55 N PRO A 438 -6.632 11.342 13.559 1.00 53.03 N ATOM 56 CA PRO A 438 -6.369 10.015 12.982 1.00 20.44 C ATOM 57 C PRO A 438 -4.888 9.777 12.643 1.00 30.34 C ATOM 58 O PRO A 438 -4.050 10.673 12.757 1.00 11.04 O ATOM 59 CB PRO A 438 -7.230 10.008 11.712 1.00 61.21 C ATOM 60 CG PRO A 438 -7.331 11.441 11.316 1.00 65.20 C ATOM 61 CD PRO A 438 -7.288 12.245 12.592 1.00 1.31 C ATOM 0 HA PRO A 438 -6.608 9.218 13.686 1.00 20.44 H new ATOM 0 HB2 PRO A 438 -6.770 9.411 10.925 1.00 61.21 H new ATOM 0 HB3 PRO A 438 -8.214 9.580 11.903 1.00 61.21 H new ATOM 0 HG2 PRO A 438 -6.510 11.719 10.655 1.00 65.20 H new ATOM 0 HG3 PRO A 438 -8.256 11.628 10.771 1.00 65.20 H new ATOM 0 HD2 PRO A 438 -6.725 13.169 12.463 1.00 1.31 H new ATOM 0 HD3 PRO A 438 -8.289 12.525 12.922 1.00 1.31 H new ATOM 69 N ASP A 439 -4.585 8.544 12.248 1.00 25.04 N ATOM 70 CA ASP A 439 -3.235 8.156 11.841 1.00 14.25 C ATOM 71 C ASP A 439 -3.310 6.917 10.935 1.00 51.13 C ATOM 72 O ASP A 439 -3.397 5.784 11.412 1.00 30.13 O ATOM 73 CB ASP A 439 -2.372 7.879 13.080 1.00 2.45 C ATOM 74 CG ASP A 439 -0.898 7.742 12.747 1.00 24.21 C ATOM 75 OD1 ASP A 439 -0.218 8.781 12.625 1.00 61.23 O ATOM 76 OD2 ASP A 439 -0.412 6.598 12.608 1.00 51.24 O ATOM 0 H ASP A 439 -5.266 7.786 12.200 1.00 25.04 H new ATOM 0 HA ASP A 439 -2.773 8.970 11.282 1.00 14.25 H new ATOM 0 HB2 ASP A 439 -2.504 8.688 13.798 1.00 2.45 H new ATOM 0 HB3 ASP A 439 -2.718 6.965 13.562 1.00 2.45 H new ATOM 81 N LEU A 440 -3.340 7.146 9.627 1.00 3.14 N ATOM 82 CA LEU A 440 -3.518 6.071 8.645 1.00 53.11 C ATOM 83 C LEU A 440 -2.175 5.624 8.056 1.00 31.22 C ATOM 84 O LEU A 440 -1.502 6.385 7.360 1.00 53.23 O ATOM 85 CB LEU A 440 -4.453 6.546 7.521 1.00 33.02 C ATOM 86 CG LEU A 440 -5.820 7.079 7.987 1.00 1.52 C ATOM 87 CD1 LEU A 440 -6.586 7.695 6.820 1.00 42.02 C ATOM 88 CD2 LEU A 440 -6.636 5.972 8.652 1.00 10.43 C ATOM 0 H LEU A 440 -3.243 8.074 9.215 1.00 3.14 H new ATOM 0 HA LEU A 440 -3.962 5.215 9.154 1.00 53.11 H new ATOM 0 HB2 LEU A 440 -3.948 7.330 6.957 1.00 33.02 H new ATOM 0 HB3 LEU A 440 -4.619 5.716 6.834 1.00 33.02 H new ATOM 0 HG LEU A 440 -5.646 7.860 8.727 1.00 1.52 H new ATOM 0 HD11 LEU A 440 -7.549 8.065 7.172 1.00 42.02 H new ATOM 0 HD12 LEU A 440 -6.010 8.521 6.402 1.00 42.02 H new ATOM 0 HD13 LEU A 440 -6.747 6.939 6.051 1.00 42.02 H new ATOM 0 HD21 LEU A 440 -7.598 6.372 8.973 1.00 10.43 H new ATOM 0 HD22 LEU A 440 -6.799 5.163 7.940 1.00 10.43 H new ATOM 0 HD23 LEU A 440 -6.094 5.591 9.518 1.00 10.43 H new ATOM 100 N THR A 441 -1.787 4.384 8.333 1.00 32.21 N ATOM 101 CA THR A 441 -0.513 3.851 7.833 1.00 72.20 C ATOM 102 C THR A 441 -0.707 2.581 6.998 1.00 0.13 C ATOM 103 O THR A 441 -1.652 1.812 7.212 1.00 12.55 O ATOM 104 CB THR A 441 0.473 3.558 8.986 1.00 61.43 C ATOM 105 OG1 THR A 441 1.745 3.154 8.459 1.00 4.00 O ATOM 106 CG2 THR A 441 -0.059 2.482 9.927 1.00 63.54 C ATOM 0 H THR A 441 -2.328 3.728 8.897 1.00 32.21 H new ATOM 0 HA THR A 441 -0.092 4.626 7.193 1.00 72.20 H new ATOM 0 HB THR A 441 0.589 4.478 9.559 1.00 61.43 H new ATOM 0 HG1 THR A 441 2.450 3.724 8.832 1.00 4.00 H new ATOM 0 HG21 THR A 441 0.664 2.306 10.724 1.00 63.54 H new ATOM 0 HG22 THR A 441 -1.003 2.812 10.360 1.00 63.54 H new ATOM 0 HG23 THR A 441 -0.218 1.558 9.371 1.00 63.54 H new ATOM 114 N VAL A 442 0.194 2.366 6.043 1.00 31.35 N ATOM 115 CA VAL A 442 0.119 1.214 5.141 1.00 24.21 C ATOM 116 C VAL A 442 1.384 0.346 5.238 1.00 11.03 C ATOM 117 O VAL A 442 2.474 0.847 5.511 1.00 4.15 O ATOM 118 CB VAL A 442 -0.074 1.671 3.670 1.00 74.44 C ATOM 119 CG1 VAL A 442 -1.347 2.505 3.515 1.00 22.11 C ATOM 120 CG2 VAL A 442 1.143 2.454 3.182 1.00 33.30 C ATOM 0 H VAL A 442 0.991 2.978 5.871 1.00 31.35 H new ATOM 0 HA VAL A 442 -0.742 0.621 5.450 1.00 24.21 H new ATOM 0 HB VAL A 442 -0.178 0.778 3.054 1.00 74.44 H new ATOM 0 HG11 VAL A 442 -1.457 2.811 2.475 1.00 22.11 H new ATOM 0 HG12 VAL A 442 -2.211 1.909 3.811 1.00 22.11 H new ATOM 0 HG13 VAL A 442 -1.282 3.389 4.149 1.00 22.11 H new ATOM 0 HG21 VAL A 442 0.986 2.764 2.149 1.00 33.30 H new ATOM 0 HG22 VAL A 442 1.284 3.335 3.808 1.00 33.30 H new ATOM 0 HG23 VAL A 442 2.029 1.822 3.240 1.00 33.30 H new ATOM 130 N GLU A 443 1.231 -0.957 5.024 1.00 12.41 N ATOM 131 CA GLU A 443 2.365 -1.893 5.050 1.00 71.42 C ATOM 132 C GLU A 443 2.277 -2.893 3.888 1.00 3.34 C ATOM 133 O GLU A 443 1.188 -3.334 3.529 1.00 13.51 O ATOM 134 CB GLU A 443 2.392 -2.661 6.379 1.00 51.24 C ATOM 135 CG GLU A 443 2.541 -1.781 7.614 1.00 44.13 C ATOM 136 CD GLU A 443 2.431 -2.569 8.908 1.00 43.22 C ATOM 137 OE1 GLU A 443 3.297 -3.433 9.158 1.00 2.33 O ATOM 138 OE2 GLU A 443 1.476 -2.339 9.681 1.00 43.04 O ATOM 0 H GLU A 443 0.331 -1.396 4.829 1.00 12.41 H new ATOM 0 HA GLU A 443 3.281 -1.311 4.947 1.00 71.42 H new ATOM 0 HB2 GLU A 443 1.472 -3.239 6.469 1.00 51.24 H new ATOM 0 HB3 GLU A 443 3.216 -3.374 6.355 1.00 51.24 H new ATOM 0 HG2 GLU A 443 3.506 -1.276 7.581 1.00 44.13 H new ATOM 0 HG3 GLU A 443 1.775 -1.006 7.598 1.00 44.13 H new ATOM 145 N ILE A 444 3.422 -3.256 3.311 1.00 43.21 N ATOM 146 CA ILE A 444 3.457 -4.204 2.184 1.00 31.45 C ATOM 147 C ILE A 444 4.294 -5.452 2.519 1.00 14.53 C ATOM 148 O ILE A 444 5.387 -5.351 3.080 1.00 34.45 O ATOM 149 CB ILE A 444 4.025 -3.539 0.901 1.00 52.44 C ATOM 150 CG1 ILE A 444 3.196 -2.296 0.527 1.00 44.10 C ATOM 151 CG2 ILE A 444 4.064 -4.540 -0.261 1.00 64.12 C ATOM 152 CD1 ILE A 444 3.687 -1.583 -0.717 1.00 31.15 C ATOM 0 H ILE A 444 4.338 -2.913 3.600 1.00 43.21 H new ATOM 0 HA ILE A 444 2.426 -4.508 2.002 1.00 31.45 H new ATOM 0 HB ILE A 444 5.048 -3.220 1.103 1.00 52.44 H new ATOM 0 HG12 ILE A 444 2.158 -2.595 0.377 1.00 44.10 H new ATOM 0 HG13 ILE A 444 3.209 -1.597 1.364 1.00 44.10 H new ATOM 0 HG21 ILE A 444 4.465 -4.051 -1.149 1.00 64.12 H new ATOM 0 HG22 ILE A 444 4.699 -5.384 0.007 1.00 64.12 H new ATOM 0 HG23 ILE A 444 3.055 -4.897 -0.468 1.00 64.12 H new ATOM 0 HD11 ILE A 444 3.053 -0.719 -0.915 1.00 31.15 H new ATOM 0 HD12 ILE A 444 4.714 -1.252 -0.565 1.00 31.15 H new ATOM 0 HD13 ILE A 444 3.647 -2.265 -1.567 1.00 31.15 H new ATOM 164 N LYS A 445 3.769 -6.625 2.171 1.00 54.54 N ATOM 165 CA LYS A 445 4.464 -7.895 2.396 1.00 53.34 C ATOM 166 C LYS A 445 4.328 -8.814 1.167 1.00 1.22 C ATOM 167 O LYS A 445 3.316 -8.778 0.472 1.00 51.02 O ATOM 168 CB LYS A 445 3.881 -8.588 3.637 1.00 11.51 C ATOM 169 CG LYS A 445 4.699 -9.775 4.137 1.00 24.54 C ATOM 170 CD LYS A 445 6.067 -9.339 4.650 1.00 51.00 C ATOM 171 CE LYS A 445 6.852 -10.506 5.234 1.00 12.11 C ATOM 172 NZ LYS A 445 6.113 -11.185 6.333 1.00 53.44 N ATOM 0 H LYS A 445 2.856 -6.724 1.728 1.00 54.54 H new ATOM 0 HA LYS A 445 5.523 -7.692 2.557 1.00 53.34 H new ATOM 0 HB2 LYS A 445 3.796 -7.856 4.441 1.00 11.51 H new ATOM 0 HB3 LYS A 445 2.871 -8.929 3.408 1.00 11.51 H new ATOM 0 HG2 LYS A 445 4.156 -10.282 4.934 1.00 24.54 H new ATOM 0 HG3 LYS A 445 4.826 -10.496 3.329 1.00 24.54 H new ATOM 0 HD2 LYS A 445 6.635 -8.891 3.834 1.00 51.00 H new ATOM 0 HD3 LYS A 445 5.941 -8.569 5.411 1.00 51.00 H new ATOM 0 HE2 LYS A 445 7.070 -11.226 4.445 1.00 12.11 H new ATOM 0 HE3 LYS A 445 7.810 -10.146 5.610 1.00 12.11 H new ATOM 0 HZ1 LYS A 445 6.762 -11.807 6.855 1.00 53.44 H new ATOM 0 HZ2 LYS A 445 5.722 -10.472 6.981 1.00 53.44 H new ATOM 0 HZ3 LYS A 445 5.338 -11.751 5.932 1.00 53.44 H new ATOM 186 N GLY A 446 5.351 -9.625 0.894 1.00 72.53 N ATOM 187 CA GLY A 446 5.282 -10.563 -0.229 1.00 50.24 C ATOM 188 C GLY A 446 6.650 -11.060 -0.692 1.00 10.25 C ATOM 189 O GLY A 446 7.646 -10.893 0.015 1.00 24.43 O ATOM 0 H GLY A 446 6.222 -9.653 1.424 1.00 72.53 H new ATOM 0 HA2 GLY A 446 4.672 -11.419 0.060 1.00 50.24 H new ATOM 0 HA3 GLY A 446 4.778 -10.080 -1.066 1.00 50.24 H new ATOM 193 N PRO A 447 6.729 -11.699 -1.879 1.00 74.54 N ATOM 194 CA PRO A 447 7.999 -12.218 -2.431 1.00 70.01 C ATOM 195 C PRO A 447 8.982 -11.110 -2.857 1.00 52.41 C ATOM 196 O PRO A 447 8.613 -10.164 -3.556 1.00 34.32 O ATOM 197 CB PRO A 447 7.546 -13.040 -3.646 1.00 24.31 C ATOM 198 CG PRO A 447 6.241 -12.438 -4.046 1.00 32.30 C ATOM 199 CD PRO A 447 5.587 -11.985 -2.768 1.00 73.34 C ATOM 0 HA PRO A 447 8.552 -12.791 -1.687 1.00 70.01 H new ATOM 0 HB2 PRO A 447 8.273 -12.983 -4.456 1.00 24.31 H new ATOM 0 HB3 PRO A 447 7.434 -14.094 -3.392 1.00 24.31 H new ATOM 0 HG2 PRO A 447 6.390 -11.600 -4.727 1.00 32.30 H new ATOM 0 HG3 PRO A 447 5.618 -13.165 -4.567 1.00 32.30 H new ATOM 0 HD2 PRO A 447 4.969 -11.101 -2.925 1.00 73.34 H new ATOM 0 HD3 PRO A 447 4.939 -12.757 -2.353 1.00 73.34 H new ATOM 207 N ASP A 448 10.241 -11.251 -2.443 1.00 41.31 N ATOM 208 CA ASP A 448 11.277 -10.246 -2.713 1.00 73.41 C ATOM 209 C ASP A 448 11.819 -10.342 -4.151 1.00 31.11 C ATOM 210 O ASP A 448 12.025 -9.330 -4.822 1.00 14.31 O ATOM 211 CB ASP A 448 12.420 -10.421 -1.715 1.00 64.23 C ATOM 212 CG ASP A 448 11.910 -10.507 -0.289 1.00 62.22 C ATOM 213 OD1 ASP A 448 11.503 -11.612 0.131 1.00 53.24 O ATOM 214 OD2 ASP A 448 11.901 -9.476 0.412 1.00 4.51 O ATOM 0 H ASP A 448 10.573 -12.058 -1.915 1.00 41.31 H new ATOM 0 HA ASP A 448 10.825 -9.260 -2.602 1.00 73.41 H new ATOM 0 HB2 ASP A 448 12.979 -11.325 -1.957 1.00 64.23 H new ATOM 0 HB3 ASP A 448 13.113 -9.584 -1.804 1.00 64.23 H new ATOM 219 N VAL A 449 12.071 -11.567 -4.613 1.00 43.33 N ATOM 220 CA VAL A 449 12.590 -11.798 -5.968 1.00 1.25 C ATOM 221 C VAL A 449 11.669 -12.744 -6.760 1.00 3.44 C ATOM 222 O VAL A 449 11.302 -13.818 -6.277 1.00 35.32 O ATOM 223 CB VAL A 449 14.025 -12.392 -5.935 1.00 22.10 C ATOM 224 CG1 VAL A 449 14.589 -12.536 -7.350 1.00 21.31 C ATOM 225 CG2 VAL A 449 14.953 -11.539 -5.069 1.00 12.01 C ATOM 0 H VAL A 449 11.925 -12.418 -4.070 1.00 43.33 H new ATOM 0 HA VAL A 449 12.622 -10.828 -6.464 1.00 1.25 H new ATOM 0 HB VAL A 449 13.964 -13.385 -5.489 1.00 22.10 H new ATOM 0 HG11 VAL A 449 15.594 -12.954 -7.300 1.00 21.31 H new ATOM 0 HG12 VAL A 449 13.949 -13.200 -7.931 1.00 21.31 H new ATOM 0 HG13 VAL A 449 14.626 -11.557 -7.828 1.00 21.31 H new ATOM 0 HG21 VAL A 449 15.951 -11.978 -5.064 1.00 12.01 H new ATOM 0 HG22 VAL A 449 15.003 -10.529 -5.475 1.00 12.01 H new ATOM 0 HG23 VAL A 449 14.568 -11.502 -4.050 1.00 12.01 H new ATOM 235 N VAL A 450 11.300 -12.338 -7.975 1.00 1.01 N ATOM 236 CA VAL A 450 10.407 -13.134 -8.831 1.00 34.12 C ATOM 237 C VAL A 450 10.975 -13.296 -10.253 1.00 42.31 C ATOM 238 O VAL A 450 11.883 -12.571 -10.663 1.00 24.51 O ATOM 239 CB VAL A 450 8.990 -12.511 -8.919 1.00 2.51 C ATOM 240 CG1 VAL A 450 8.312 -12.504 -7.550 1.00 31.11 C ATOM 241 CG2 VAL A 450 9.050 -11.099 -9.500 1.00 62.33 C ATOM 0 H VAL A 450 11.605 -11.459 -8.394 1.00 1.01 H new ATOM 0 HA VAL A 450 10.334 -14.116 -8.364 1.00 34.12 H new ATOM 0 HB VAL A 450 8.393 -13.128 -9.590 1.00 2.51 H new ATOM 0 HG11 VAL A 450 7.319 -12.062 -7.638 1.00 31.11 H new ATOM 0 HG12 VAL A 450 8.223 -13.526 -7.183 1.00 31.11 H new ATOM 0 HG13 VAL A 450 8.909 -11.918 -6.851 1.00 31.11 H new ATOM 0 HG21 VAL A 450 8.044 -10.684 -9.551 1.00 62.33 H new ATOM 0 HG22 VAL A 450 9.670 -10.469 -8.862 1.00 62.33 H new ATOM 0 HG23 VAL A 450 9.479 -11.136 -10.501 1.00 62.33 H new ATOM 251 N GLY A 451 10.436 -14.262 -10.994 1.00 3.30 N ATOM 252 CA GLY A 451 10.879 -14.503 -12.364 1.00 24.33 C ATOM 253 C GLY A 451 10.014 -13.801 -13.408 1.00 62.31 C ATOM 254 O GLY A 451 8.889 -13.383 -13.121 1.00 23.33 O ATOM 0 H GLY A 451 9.697 -14.886 -10.671 1.00 3.30 H new ATOM 0 HA2 GLY A 451 11.910 -14.166 -12.470 1.00 24.33 H new ATOM 0 HA3 GLY A 451 10.872 -15.576 -12.558 1.00 24.33 H new ATOM 258 N VAL A 452 10.535 -13.674 -14.625 1.00 3.15 N ATOM 259 CA VAL A 452 9.799 -13.035 -15.718 1.00 71.43 C ATOM 260 C VAL A 452 8.578 -13.876 -16.150 1.00 23.13 C ATOM 261 O VAL A 452 8.659 -15.098 -16.283 1.00 75.35 O ATOM 262 CB VAL A 452 10.726 -12.769 -16.934 1.00 71.12 C ATOM 263 CG1 VAL A 452 11.217 -14.075 -17.556 1.00 4.11 C ATOM 264 CG2 VAL A 452 10.035 -11.887 -17.974 1.00 14.10 C ATOM 0 H VAL A 452 11.465 -14.005 -14.882 1.00 3.15 H new ATOM 0 HA VAL A 452 9.434 -12.079 -15.344 1.00 71.43 H new ATOM 0 HB VAL A 452 11.600 -12.229 -16.569 1.00 71.12 H new ATOM 0 HG11 VAL A 452 11.864 -13.853 -18.405 1.00 4.11 H new ATOM 0 HG12 VAL A 452 11.776 -14.644 -16.813 1.00 4.11 H new ATOM 0 HG13 VAL A 452 10.362 -14.661 -17.894 1.00 4.11 H new ATOM 0 HG21 VAL A 452 10.709 -11.718 -18.814 1.00 14.10 H new ATOM 0 HG22 VAL A 452 9.131 -12.382 -18.328 1.00 14.10 H new ATOM 0 HG23 VAL A 452 9.771 -10.931 -17.523 1.00 14.10 H new ATOM 274 N ASN A 453 7.448 -13.197 -16.359 1.00 21.31 N ATOM 275 CA ASN A 453 6.172 -13.844 -16.716 1.00 31.11 C ATOM 276 C ASN A 453 5.632 -14.744 -15.588 1.00 62.41 C ATOM 277 O ASN A 453 4.726 -15.552 -15.811 1.00 31.52 O ATOM 278 CB ASN A 453 6.306 -14.657 -18.011 1.00 1.01 C ATOM 279 CG ASN A 453 6.712 -13.804 -19.199 1.00 21.10 C ATOM 280 OD1 ASN A 453 7.992 -13.784 -19.510 1.00 0.04 O flip ATOM 281 ND2 ASN A 453 5.879 -13.176 -19.839 1.00 73.33 N flip ATOM 0 H ASN A 453 7.386 -12.181 -16.287 1.00 21.31 H new ATOM 0 HA ASN A 453 5.454 -13.039 -16.872 1.00 31.11 H new ATOM 0 HB2 ASN A 453 7.045 -15.445 -17.866 1.00 1.01 H new ATOM 0 HB3 ASN A 453 5.356 -15.146 -18.228 1.00 1.01 H new ATOM 0 HD21 ASN A 453 4.896 -13.213 -19.571 1.00 73.33 H new ATOM 0 HD22 ASN A 453 6.168 -12.615 -20.640 1.00 73.33 H new ATOM 288 N LYS A 454 6.175 -14.598 -14.378 1.00 53.23 N ATOM 289 CA LYS A 454 5.711 -15.378 -13.218 1.00 13.22 C ATOM 290 C LYS A 454 4.706 -14.586 -12.368 1.00 54.32 C ATOM 291 O LYS A 454 4.711 -13.357 -12.361 1.00 53.11 O ATOM 292 CB LYS A 454 6.904 -15.815 -12.351 1.00 74.11 C ATOM 293 CG LYS A 454 7.779 -16.891 -12.996 1.00 20.53 C ATOM 294 CD LYS A 454 6.996 -18.179 -13.252 1.00 30.13 C ATOM 295 CE LYS A 454 6.448 -18.780 -11.961 1.00 54.13 C ATOM 296 NZ LYS A 454 5.608 -19.978 -12.221 1.00 45.41 N ATOM 0 H LYS A 454 6.935 -13.950 -14.171 1.00 53.23 H new ATOM 0 HA LYS A 454 5.203 -16.263 -13.601 1.00 13.22 H new ATOM 0 HB2 LYS A 454 7.520 -14.943 -12.132 1.00 74.11 H new ATOM 0 HB3 LYS A 454 6.530 -16.188 -11.398 1.00 74.11 H new ATOM 0 HG2 LYS A 454 8.181 -16.517 -13.937 1.00 20.53 H new ATOM 0 HG3 LYS A 454 8.629 -17.105 -12.348 1.00 20.53 H new ATOM 0 HD2 LYS A 454 6.172 -17.973 -13.935 1.00 30.13 H new ATOM 0 HD3 LYS A 454 7.643 -18.905 -13.744 1.00 30.13 H new ATOM 0 HE2 LYS A 454 7.276 -19.052 -11.307 1.00 54.13 H new ATOM 0 HE3 LYS A 454 5.858 -18.031 -11.433 1.00 54.13 H new ATOM 0 HZ1 LYS A 454 5.255 -20.357 -11.319 1.00 45.41 H new ATOM 0 HZ2 LYS A 454 4.803 -19.713 -12.824 1.00 45.41 H new ATOM 0 HZ3 LYS A 454 6.177 -20.703 -12.702 1.00 45.41 H new ATOM 310 N LEU A 455 3.839 -15.305 -11.657 1.00 20.21 N ATOM 311 CA LEU A 455 2.817 -14.678 -10.814 1.00 11.14 C ATOM 312 C LEU A 455 3.330 -14.444 -9.383 1.00 3.15 C ATOM 313 O LEU A 455 4.015 -15.292 -8.807 1.00 71.23 O ATOM 314 CB LEU A 455 1.560 -15.561 -10.777 1.00 33.20 C ATOM 315 CG LEU A 455 0.359 -14.961 -10.030 1.00 42.34 C ATOM 316 CD1 LEU A 455 -0.117 -13.687 -10.721 1.00 4.13 C ATOM 317 CD2 LEU A 455 -0.773 -15.981 -9.919 1.00 61.04 C ATOM 0 H LEU A 455 3.822 -16.325 -11.647 1.00 20.21 H new ATOM 0 HA LEU A 455 2.574 -13.708 -11.247 1.00 11.14 H new ATOM 0 HB2 LEU A 455 1.258 -15.778 -11.802 1.00 33.20 H new ATOM 0 HB3 LEU A 455 1.818 -16.513 -10.312 1.00 33.20 H new ATOM 0 HG LEU A 455 0.675 -14.701 -9.020 1.00 42.34 H new ATOM 0 HD11 LEU A 455 -0.968 -13.275 -10.179 1.00 4.13 H new ATOM 0 HD12 LEU A 455 0.692 -12.957 -10.735 1.00 4.13 H new ATOM 0 HD13 LEU A 455 -0.415 -13.918 -11.744 1.00 4.13 H new ATOM 0 HD21 LEU A 455 -1.613 -15.535 -9.387 1.00 61.04 H new ATOM 0 HD22 LEU A 455 -1.093 -16.279 -10.917 1.00 61.04 H new ATOM 0 HD23 LEU A 455 -0.421 -16.857 -9.374 1.00 61.04 H new ATOM 329 N ALA A 456 3.001 -13.287 -8.815 1.00 32.53 N ATOM 330 CA ALA A 456 3.388 -12.964 -7.439 1.00 25.32 C ATOM 331 C ALA A 456 2.224 -12.333 -6.655 1.00 13.01 C ATOM 332 O ALA A 456 1.549 -11.428 -7.147 1.00 73.32 O ATOM 333 CB ALA A 456 4.592 -12.030 -7.448 1.00 14.05 C ATOM 0 H ALA A 456 2.467 -12.555 -9.284 1.00 32.53 H new ATOM 0 HA ALA A 456 3.655 -13.893 -6.935 1.00 25.32 H new ATOM 0 HB1 ALA A 456 4.876 -11.793 -6.423 1.00 14.05 H new ATOM 0 HB2 ALA A 456 5.427 -12.517 -7.952 1.00 14.05 H new ATOM 0 HB3 ALA A 456 4.336 -11.111 -7.975 1.00 14.05 H new ATOM 339 N GLU A 457 1.991 -12.819 -5.436 1.00 3.24 N ATOM 340 CA GLU A 457 0.932 -12.282 -4.567 1.00 55.33 C ATOM 341 C GLU A 457 1.515 -11.506 -3.376 1.00 72.31 C ATOM 342 O GLU A 457 2.454 -11.961 -2.726 1.00 62.11 O ATOM 343 CB GLU A 457 0.029 -13.419 -4.066 1.00 14.21 C ATOM 344 CG GLU A 457 -1.019 -13.861 -5.083 1.00 60.45 C ATOM 345 CD GLU A 457 -1.770 -15.116 -4.659 1.00 1.50 C ATOM 346 OE1 GLU A 457 -2.804 -14.989 -3.972 1.00 53.22 O ATOM 347 OE2 GLU A 457 -1.332 -16.235 -5.014 1.00 54.55 O ATOM 0 H GLU A 457 2.521 -13.586 -5.023 1.00 3.24 H new ATOM 0 HA GLU A 457 0.339 -11.586 -5.160 1.00 55.33 H new ATOM 0 HB2 GLU A 457 0.650 -14.275 -3.801 1.00 14.21 H new ATOM 0 HB3 GLU A 457 -0.475 -13.097 -3.155 1.00 14.21 H new ATOM 0 HG2 GLU A 457 -1.733 -13.052 -5.235 1.00 60.45 H new ATOM 0 HG3 GLU A 457 -0.533 -14.042 -6.042 1.00 60.45 H new ATOM 354 N TYR A 458 0.950 -10.333 -3.104 1.00 43.15 N ATOM 355 CA TYR A 458 1.395 -9.480 -1.991 1.00 50.53 C ATOM 356 C TYR A 458 0.224 -9.125 -1.061 1.00 34.11 C ATOM 357 O TYR A 458 -0.934 -9.096 -1.491 1.00 1.34 O ATOM 358 CB TYR A 458 2.033 -8.187 -2.532 1.00 40.33 C ATOM 359 CG TYR A 458 3.291 -8.410 -3.355 1.00 44.40 C ATOM 360 CD1 TYR A 458 3.217 -8.826 -4.683 1.00 33.25 C ATOM 361 CD2 TYR A 458 4.553 -8.207 -2.806 1.00 4.52 C ATOM 362 CE1 TYR A 458 4.360 -9.036 -5.430 1.00 22.33 C ATOM 363 CE2 TYR A 458 5.698 -8.413 -3.549 1.00 60.10 C ATOM 364 CZ TYR A 458 5.597 -8.828 -4.858 1.00 23.11 C ATOM 365 OH TYR A 458 6.739 -9.040 -5.594 1.00 34.14 O ATOM 0 H TYR A 458 0.175 -9.943 -3.641 1.00 43.15 H new ATOM 0 HA TYR A 458 2.135 -10.039 -1.419 1.00 50.53 H new ATOM 0 HB2 TYR A 458 1.300 -7.662 -3.145 1.00 40.33 H new ATOM 0 HB3 TYR A 458 2.273 -7.534 -1.692 1.00 40.33 H new ATOM 0 HD1 TYR A 458 2.250 -8.987 -5.136 1.00 33.25 H new ATOM 0 HD2 TYR A 458 4.638 -7.882 -1.780 1.00 4.52 H new ATOM 0 HE1 TYR A 458 4.285 -9.362 -6.457 1.00 22.33 H new ATOM 0 HE2 TYR A 458 6.669 -8.249 -3.105 1.00 60.10 H new ATOM 0 HH TYR A 458 7.436 -9.414 -5.016 1.00 34.14 H new ATOM 375 N GLU A 459 0.530 -8.829 0.204 1.00 1.15 N ATOM 376 CA GLU A 459 -0.496 -8.440 1.178 1.00 52.04 C ATOM 377 C GLU A 459 -0.224 -7.032 1.719 1.00 54.50 C ATOM 378 O GLU A 459 0.875 -6.731 2.191 1.00 23.43 O ATOM 379 CB GLU A 459 -0.554 -9.422 2.367 1.00 20.01 C ATOM 380 CG GLU A 459 -0.624 -10.902 1.989 1.00 75.31 C ATOM 381 CD GLU A 459 0.747 -11.521 1.747 1.00 23.40 C ATOM 382 OE1 GLU A 459 1.587 -11.480 2.672 1.00 75.23 O ATOM 383 OE2 GLU A 459 0.978 -12.080 0.653 1.00 70.42 O ATOM 0 H GLU A 459 1.478 -8.851 0.579 1.00 1.15 H new ATOM 0 HA GLU A 459 -1.452 -8.460 0.654 1.00 52.04 H new ATOM 0 HB2 GLU A 459 0.326 -9.264 2.990 1.00 20.01 H new ATOM 0 HB3 GLU A 459 -1.424 -9.178 2.976 1.00 20.01 H new ATOM 0 HG2 GLU A 459 -1.129 -11.451 2.784 1.00 75.31 H new ATOM 0 HG3 GLU A 459 -1.230 -11.013 1.090 1.00 75.31 H new ATOM 390 N VAL A 460 -1.236 -6.177 1.650 1.00 10.10 N ATOM 391 CA VAL A 460 -1.137 -4.803 2.147 1.00 11.43 C ATOM 392 C VAL A 460 -1.901 -4.641 3.469 1.00 13.34 C ATOM 393 O VAL A 460 -3.122 -4.793 3.515 1.00 20.55 O ATOM 394 CB VAL A 460 -1.698 -3.786 1.117 1.00 73.13 C ATOM 395 CG1 VAL A 460 -1.478 -2.348 1.591 1.00 35.34 C ATOM 396 CG2 VAL A 460 -1.075 -4.004 -0.259 1.00 10.20 C ATOM 0 H VAL A 460 -2.145 -6.410 1.251 1.00 10.10 H new ATOM 0 HA VAL A 460 -0.078 -4.600 2.309 1.00 11.43 H new ATOM 0 HB VAL A 460 -2.772 -3.953 1.033 1.00 73.13 H new ATOM 0 HG11 VAL A 460 -1.880 -1.656 0.851 1.00 35.34 H new ATOM 0 HG12 VAL A 460 -1.986 -2.197 2.543 1.00 35.34 H new ATOM 0 HG13 VAL A 460 -0.411 -2.165 1.716 1.00 35.34 H new ATOM 0 HG21 VAL A 460 -1.484 -3.279 -0.963 1.00 10.20 H new ATOM 0 HG22 VAL A 460 0.005 -3.876 -0.194 1.00 10.20 H new ATOM 0 HG23 VAL A 460 -1.301 -5.013 -0.605 1.00 10.20 H new ATOM 406 N HIS A 461 -1.178 -4.349 4.545 1.00 43.15 N ATOM 407 CA HIS A 461 -1.801 -4.097 5.849 1.00 54.12 C ATOM 408 C HIS A 461 -2.067 -2.597 6.041 1.00 71.04 C ATOM 409 O HIS A 461 -1.140 -1.819 6.267 1.00 14.23 O ATOM 410 CB HIS A 461 -0.908 -4.620 6.988 1.00 44.55 C ATOM 411 CG HIS A 461 -0.789 -6.115 7.043 1.00 23.12 C ATOM 412 ND1 HIS A 461 -1.244 -6.867 8.106 1.00 14.51 N ATOM 413 CD2 HIS A 461 -0.241 -6.999 6.172 1.00 61.33 C ATOM 414 CE1 HIS A 461 -0.984 -8.140 7.887 1.00 42.44 C ATOM 415 NE2 HIS A 461 -0.376 -8.249 6.724 1.00 34.20 N ATOM 0 H HIS A 461 -0.160 -4.280 4.545 1.00 43.15 H new ATOM 0 HA HIS A 461 -2.752 -4.629 5.876 1.00 54.12 H new ATOM 0 HB2 HIS A 461 0.088 -4.192 6.879 1.00 44.55 H new ATOM 0 HB3 HIS A 461 -1.305 -4.264 7.938 1.00 44.55 H new ATOM 0 HD2 HIS A 461 0.216 -6.764 5.222 1.00 61.33 H new ATOM 0 HE1 HIS A 461 -1.228 -8.957 8.550 1.00 42.44 H new ATOM 0 HE2 HIS A 461 -0.057 -9.121 6.302 1.00 34.20 H new ATOM 424 N VAL A 462 -3.331 -2.193 5.928 1.00 20.43 N ATOM 425 CA VAL A 462 -3.718 -0.796 6.144 1.00 32.23 C ATOM 426 C VAL A 462 -4.446 -0.650 7.487 1.00 40.50 C ATOM 427 O VAL A 462 -5.458 -1.308 7.737 1.00 62.43 O ATOM 428 CB VAL A 462 -4.606 -0.261 4.983 1.00 71.31 C ATOM 429 CG1 VAL A 462 -3.846 -0.325 3.659 1.00 65.25 C ATOM 430 CG2 VAL A 462 -5.928 -1.029 4.878 1.00 24.30 C ATOM 0 H VAL A 462 -4.106 -2.811 5.688 1.00 20.43 H new ATOM 0 HA VAL A 462 -2.808 -0.197 6.165 1.00 32.23 H new ATOM 0 HB VAL A 462 -4.847 0.779 5.205 1.00 71.31 H new ATOM 0 HG11 VAL A 462 -4.480 0.052 2.857 1.00 65.25 H new ATOM 0 HG12 VAL A 462 -2.945 0.285 3.727 1.00 65.25 H new ATOM 0 HG13 VAL A 462 -3.570 -1.358 3.448 1.00 65.25 H new ATOM 0 HG21 VAL A 462 -6.519 -0.625 4.056 1.00 24.30 H new ATOM 0 HG22 VAL A 462 -5.723 -2.083 4.694 1.00 24.30 H new ATOM 0 HG23 VAL A 462 -6.484 -0.925 5.810 1.00 24.30 H new ATOM 440 N LYS A 463 -3.925 0.207 8.356 1.00 20.35 N ATOM 441 CA LYS A 463 -4.446 0.321 9.722 1.00 71.52 C ATOM 442 C LYS A 463 -4.532 1.776 10.208 1.00 54.30 C ATOM 443 O LYS A 463 -3.788 2.650 9.757 1.00 51.24 O ATOM 444 CB LYS A 463 -3.576 -0.500 10.685 1.00 21.22 C ATOM 445 CG LYS A 463 -2.077 -0.294 10.487 1.00 43.43 C ATOM 446 CD LYS A 463 -1.286 -0.598 11.757 1.00 22.21 C ATOM 447 CE LYS A 463 -1.351 -2.068 12.148 1.00 23.12 C ATOM 448 NZ LYS A 463 -0.711 -2.941 11.132 1.00 74.04 N ATOM 0 H LYS A 463 -3.147 0.832 8.146 1.00 20.35 H new ATOM 0 HA LYS A 463 -5.463 -0.072 9.708 1.00 71.52 H new ATOM 0 HB2 LYS A 463 -3.837 -0.237 11.710 1.00 21.22 H new ATOM 0 HB3 LYS A 463 -3.808 -1.557 10.558 1.00 21.22 H new ATOM 0 HG2 LYS A 463 -1.726 -0.936 9.679 1.00 43.43 H new ATOM 0 HG3 LYS A 463 -1.890 0.735 10.181 1.00 43.43 H new ATOM 0 HD2 LYS A 463 -0.245 -0.310 11.610 1.00 22.21 H new ATOM 0 HD3 LYS A 463 -1.672 0.010 12.576 1.00 22.21 H new ATOM 0 HE2 LYS A 463 -0.859 -2.210 13.110 1.00 23.12 H new ATOM 0 HE3 LYS A 463 -2.392 -2.364 12.276 1.00 23.12 H new ATOM 0 HZ1 LYS A 463 -0.217 -3.723 11.608 1.00 74.04 H new ATOM 0 HZ2 LYS A 463 -1.439 -3.327 10.497 1.00 74.04 H new ATOM 0 HZ3 LYS A 463 -0.028 -2.386 10.578 1.00 74.04 H new ATOM 462 N ASN A 464 -5.460 2.012 11.134 1.00 23.41 N ATOM 463 CA ASN A 464 -5.633 3.321 11.772 1.00 55.25 C ATOM 464 C ASN A 464 -5.098 3.279 13.215 1.00 4.31 C ATOM 465 O ASN A 464 -5.470 2.403 13.992 1.00 31.10 O ATOM 466 CB ASN A 464 -7.127 3.688 11.773 1.00 25.34 C ATOM 467 CG ASN A 464 -7.414 5.110 12.234 1.00 71.20 C ATOM 468 OD1 ASN A 464 -6.675 5.698 13.018 1.00 51.33 O ATOM 469 ND2 ASN A 464 -8.514 5.666 11.768 1.00 20.33 N ATOM 0 H ASN A 464 -6.114 1.303 11.465 1.00 23.41 H new ATOM 0 HA ASN A 464 -5.074 4.074 11.216 1.00 55.25 H new ATOM 0 HB2 ASN A 464 -7.524 3.556 10.766 1.00 25.34 H new ATOM 0 HB3 ASN A 464 -7.661 2.992 12.420 1.00 25.34 H new ATOM 0 HD21 ASN A 464 -8.771 6.610 12.058 1.00 20.33 H new ATOM 0 HD22 ASN A 464 -9.109 5.153 11.117 1.00 20.33 H new ATOM 476 N LEU A 465 -4.238 4.229 13.574 1.00 51.21 N ATOM 477 CA LEU A 465 -3.636 4.271 14.917 1.00 32.13 C ATOM 478 C LEU A 465 -4.099 5.501 15.719 1.00 35.21 C ATOM 479 O LEU A 465 -3.743 5.662 16.887 1.00 2.21 O ATOM 480 CB LEU A 465 -2.102 4.262 14.799 1.00 13.31 C ATOM 481 CG LEU A 465 -1.507 3.038 14.077 1.00 5.33 C ATOM 482 CD1 LEU A 465 0.011 3.154 13.958 1.00 12.45 C ATOM 483 CD2 LEU A 465 -1.896 1.747 14.797 1.00 63.20 C ATOM 0 H LEU A 465 -3.938 4.984 12.957 1.00 51.21 H new ATOM 0 HA LEU A 465 -3.969 3.386 15.459 1.00 32.13 H new ATOM 0 HB2 LEU A 465 -1.789 5.163 14.271 1.00 13.31 H new ATOM 0 HB3 LEU A 465 -1.676 4.315 15.801 1.00 13.31 H new ATOM 0 HG LEU A 465 -1.920 3.008 13.069 1.00 5.33 H new ATOM 0 HD11 LEU A 465 0.404 2.276 13.444 1.00 12.45 H new ATOM 0 HD12 LEU A 465 0.264 4.050 13.391 1.00 12.45 H new ATOM 0 HD13 LEU A 465 0.450 3.219 14.954 1.00 12.45 H new ATOM 0 HD21 LEU A 465 -1.466 0.894 14.272 1.00 63.20 H new ATOM 0 HD22 LEU A 465 -1.518 1.772 15.819 1.00 63.20 H new ATOM 0 HD23 LEU A 465 -2.982 1.653 14.814 1.00 63.20 H new ATOM 495 N GLY A 466 -4.910 6.353 15.091 1.00 42.45 N ATOM 496 CA GLY A 466 -5.373 7.579 15.741 1.00 43.54 C ATOM 497 C GLY A 466 -6.554 7.369 16.689 1.00 53.42 C ATOM 498 O GLY A 466 -6.858 8.231 17.517 1.00 54.14 O ATOM 0 H GLY A 466 -5.257 6.219 14.141 1.00 42.45 H new ATOM 0 HA2 GLY A 466 -4.546 8.018 16.299 1.00 43.54 H new ATOM 0 HA3 GLY A 466 -5.658 8.300 14.975 1.00 43.54 H new ATOM 502 N GLY A 467 -7.229 6.226 16.568 1.00 73.02 N ATOM 503 CA GLY A 467 -8.377 5.933 17.425 1.00 13.13 C ATOM 504 C GLY A 467 -9.662 6.647 16.999 1.00 34.21 C ATOM 505 O GLY A 467 -10.579 6.825 17.801 1.00 64.44 O ATOM 0 H GLY A 467 -7.004 5.495 15.893 1.00 73.02 H new ATOM 0 HA2 GLY A 467 -8.553 4.857 17.426 1.00 13.13 H new ATOM 0 HA3 GLY A 467 -8.136 6.218 18.449 1.00 13.13 H new ATOM 509 N ILE A 468 -9.729 7.049 15.732 1.00 21.13 N ATOM 510 CA ILE A 468 -10.915 7.720 15.175 1.00 5.42 C ATOM 511 C ILE A 468 -11.252 7.190 13.767 1.00 43.11 C ATOM 512 O ILE A 468 -10.372 7.064 12.917 1.00 41.22 O ATOM 513 CB ILE A 468 -10.714 9.262 15.139 1.00 54.00 C ATOM 514 CG1 ILE A 468 -11.774 9.948 14.254 1.00 3.14 C ATOM 515 CG2 ILE A 468 -9.305 9.609 14.669 1.00 73.42 C ATOM 516 CD1 ILE A 468 -11.687 11.461 14.250 1.00 31.35 C ATOM 0 H ILE A 468 -8.971 6.923 15.061 1.00 21.13 H new ATOM 0 HA ILE A 468 -11.756 7.495 15.830 1.00 5.42 H new ATOM 0 HB ILE A 468 -10.840 9.639 16.154 1.00 54.00 H new ATOM 0 HG12 ILE A 468 -11.669 9.585 13.231 1.00 3.14 H new ATOM 0 HG13 ILE A 468 -12.766 9.652 14.597 1.00 3.14 H new ATOM 0 HG21 ILE A 468 -9.184 10.692 14.651 1.00 73.42 H new ATOM 0 HG22 ILE A 468 -8.576 9.174 15.353 1.00 73.42 H new ATOM 0 HG23 ILE A 468 -9.147 9.209 13.667 1.00 73.42 H new ATOM 0 HD11 ILE A 468 -12.465 11.868 13.605 1.00 31.35 H new ATOM 0 HD12 ILE A 468 -11.823 11.836 15.264 1.00 31.35 H new ATOM 0 HD13 ILE A 468 -10.710 11.768 13.878 1.00 31.35 H new ATOM 528 N GLY A 469 -12.530 6.887 13.535 1.00 72.14 N ATOM 529 CA GLY A 469 -12.960 6.300 12.267 1.00 34.43 C ATOM 530 C GLY A 469 -12.921 7.267 11.083 1.00 74.00 C ATOM 531 O GLY A 469 -13.373 8.411 11.181 1.00 4.21 O ATOM 0 H GLY A 469 -13.283 7.038 14.207 1.00 72.14 H new ATOM 0 HA2 GLY A 469 -12.325 5.443 12.043 1.00 34.43 H new ATOM 0 HA3 GLY A 469 -13.976 5.923 12.380 1.00 34.43 H new ATOM 535 N VAL A 470 -12.383 6.801 9.954 1.00 11.00 N ATOM 536 CA VAL A 470 -12.271 7.624 8.742 1.00 53.43 C ATOM 537 C VAL A 470 -12.797 6.877 7.494 1.00 62.21 C ATOM 538 O VAL A 470 -12.234 5.857 7.091 1.00 44.52 O ATOM 539 CB VAL A 470 -10.797 8.048 8.493 1.00 2.52 C ATOM 540 CG1 VAL A 470 -10.683 8.953 7.266 1.00 32.21 C ATOM 541 CG2 VAL A 470 -10.208 8.731 9.729 1.00 20.42 C ATOM 0 H VAL A 470 -12.016 5.855 9.851 1.00 11.00 H new ATOM 0 HA VAL A 470 -12.884 8.511 8.906 1.00 53.43 H new ATOM 0 HB VAL A 470 -10.220 7.144 8.298 1.00 2.52 H new ATOM 0 HG11 VAL A 470 -9.640 9.234 7.117 1.00 32.21 H new ATOM 0 HG12 VAL A 470 -11.045 8.421 6.386 1.00 32.21 H new ATOM 0 HG13 VAL A 470 -11.282 9.851 7.419 1.00 32.21 H new ATOM 0 HG21 VAL A 470 -9.176 9.018 9.529 1.00 20.42 H new ATOM 0 HG22 VAL A 470 -10.792 9.620 9.967 1.00 20.42 H new ATOM 0 HG23 VAL A 470 -10.236 8.042 10.573 1.00 20.42 H new ATOM 551 N PRO A 471 -13.901 7.366 6.880 1.00 11.22 N ATOM 552 CA PRO A 471 -14.426 6.824 5.608 1.00 75.44 C ATOM 553 C PRO A 471 -13.724 7.414 4.365 1.00 64.43 C ATOM 554 O PRO A 471 -13.913 6.945 3.243 1.00 73.12 O ATOM 555 CB PRO A 471 -15.900 7.238 5.655 1.00 20.12 C ATOM 556 CG PRO A 471 -15.909 8.522 6.421 1.00 42.41 C ATOM 557 CD PRO A 471 -14.756 8.454 7.402 1.00 4.41 C ATOM 0 HA PRO A 471 -14.265 5.750 5.517 1.00 75.44 H new ATOM 0 HB2 PRO A 471 -16.306 7.372 4.652 1.00 20.12 H new ATOM 0 HB3 PRO A 471 -16.509 6.479 6.147 1.00 20.12 H new ATOM 0 HG2 PRO A 471 -15.796 9.373 5.750 1.00 42.41 H new ATOM 0 HG3 PRO A 471 -16.856 8.653 6.945 1.00 42.41 H new ATOM 0 HD2 PRO A 471 -14.215 9.399 7.447 1.00 4.41 H new ATOM 0 HD3 PRO A 471 -15.104 8.237 8.412 1.00 4.41 H new ATOM 565 N SER A 472 -12.922 8.452 4.584 1.00 32.13 N ATOM 566 CA SER A 472 -12.196 9.162 3.513 1.00 1.42 C ATOM 567 C SER A 472 -10.892 8.441 3.111 1.00 5.10 C ATOM 568 O SER A 472 -10.064 8.991 2.383 1.00 20.02 O ATOM 569 CB SER A 472 -11.884 10.599 3.955 1.00 2.10 C ATOM 570 OG SER A 472 -11.362 11.374 2.884 1.00 64.10 O ATOM 0 H SER A 472 -12.750 8.834 5.514 1.00 32.13 H new ATOM 0 HA SER A 472 -12.844 9.176 2.636 1.00 1.42 H new ATOM 0 HB2 SER A 472 -12.791 11.068 4.336 1.00 2.10 H new ATOM 0 HB3 SER A 472 -11.166 10.580 4.775 1.00 2.10 H new ATOM 0 HG SER A 472 -10.757 10.822 2.345 1.00 64.10 H new ATOM 576 N THR A 473 -10.716 7.204 3.572 1.00 10.32 N ATOM 577 CA THR A 473 -9.416 6.522 3.491 1.00 12.12 C ATOM 578 C THR A 473 -9.244 5.750 2.172 1.00 54.33 C ATOM 579 O THR A 473 -9.723 4.626 2.012 1.00 0.45 O ATOM 580 CB THR A 473 -9.243 5.528 4.670 1.00 14.12 C ATOM 581 OG1 THR A 473 -9.346 6.222 5.921 1.00 4.11 O ATOM 582 CG2 THR A 473 -7.900 4.802 4.605 1.00 43.21 C ATOM 0 H THR A 473 -11.454 6.650 4.006 1.00 10.32 H new ATOM 0 HA THR A 473 -8.656 7.302 3.540 1.00 12.12 H new ATOM 0 HB THR A 473 -10.038 4.786 4.590 1.00 14.12 H new ATOM 0 HG1 THR A 473 -10.249 6.109 6.285 1.00 4.11 H new ATOM 0 HG21 THR A 473 -7.817 4.115 5.447 1.00 43.21 H new ATOM 0 HG22 THR A 473 -7.834 4.242 3.672 1.00 43.21 H new ATOM 0 HG23 THR A 473 -7.090 5.530 4.649 1.00 43.21 H new ATOM 590 N LYS A 474 -8.561 6.389 1.221 1.00 23.32 N ATOM 591 CA LYS A 474 -8.213 5.760 -0.060 1.00 21.21 C ATOM 592 C LYS A 474 -6.738 5.312 -0.063 1.00 45.54 C ATOM 593 O LYS A 474 -5.845 6.091 0.284 1.00 4.14 O ATOM 594 CB LYS A 474 -8.456 6.744 -1.218 1.00 70.34 C ATOM 595 CG LYS A 474 -9.864 7.343 -1.244 1.00 52.20 C ATOM 596 CD LYS A 474 -10.061 8.281 -2.437 1.00 34.53 C ATOM 597 CE LYS A 474 -11.420 8.980 -2.401 1.00 13.13 C ATOM 598 NZ LYS A 474 -11.641 9.844 -3.597 1.00 14.23 N ATOM 0 H LYS A 474 -8.234 7.351 1.313 1.00 23.32 H new ATOM 0 HA LYS A 474 -8.847 4.883 -0.193 1.00 21.21 H new ATOM 0 HB2 LYS A 474 -7.729 7.554 -1.151 1.00 70.34 H new ATOM 0 HB3 LYS A 474 -8.274 6.230 -2.162 1.00 70.34 H new ATOM 0 HG2 LYS A 474 -10.600 6.540 -1.288 1.00 52.20 H new ATOM 0 HG3 LYS A 474 -10.043 7.890 -0.318 1.00 52.20 H new ATOM 0 HD2 LYS A 474 -9.269 9.030 -2.444 1.00 34.53 H new ATOM 0 HD3 LYS A 474 -9.970 7.713 -3.363 1.00 34.53 H new ATOM 0 HE2 LYS A 474 -12.210 8.231 -2.345 1.00 13.13 H new ATOM 0 HE3 LYS A 474 -11.491 9.587 -1.498 1.00 13.13 H new ATOM 0 HZ1 LYS A 474 -12.510 10.401 -3.467 1.00 14.23 H new ATOM 0 HZ2 LYS A 474 -10.832 10.487 -3.715 1.00 14.23 H new ATOM 0 HZ3 LYS A 474 -11.735 9.247 -4.444 1.00 14.23 H new ATOM 612 N VAL A 475 -6.493 4.063 -0.457 1.00 51.22 N ATOM 613 CA VAL A 475 -5.133 3.498 -0.520 1.00 0.30 C ATOM 614 C VAL A 475 -4.741 3.161 -1.969 1.00 61.24 C ATOM 615 O VAL A 475 -5.516 2.556 -2.704 1.00 75.54 O ATOM 616 CB VAL A 475 -5.020 2.216 0.348 1.00 74.21 C ATOM 617 CG1 VAL A 475 -3.597 1.653 0.314 1.00 23.42 C ATOM 618 CG2 VAL A 475 -5.460 2.494 1.785 1.00 61.12 C ATOM 0 H VAL A 475 -7.224 3.411 -0.742 1.00 51.22 H new ATOM 0 HA VAL A 475 -4.452 4.255 -0.131 1.00 0.30 H new ATOM 0 HB VAL A 475 -5.688 1.465 -0.073 1.00 74.21 H new ATOM 0 HG11 VAL A 475 -3.546 0.755 0.930 1.00 23.42 H new ATOM 0 HG12 VAL A 475 -3.329 1.404 -0.713 1.00 23.42 H new ATOM 0 HG13 VAL A 475 -2.902 2.398 0.700 1.00 23.42 H new ATOM 0 HG21 VAL A 475 -5.373 1.582 2.375 1.00 61.12 H new ATOM 0 HG22 VAL A 475 -4.825 3.268 2.217 1.00 61.12 H new ATOM 0 HG23 VAL A 475 -6.497 2.831 1.789 1.00 61.12 H new ATOM 628 N ARG A 476 -3.537 3.555 -2.375 1.00 71.41 N ATOM 629 CA ARG A 476 -3.061 3.318 -3.744 1.00 0.02 C ATOM 630 C ARG A 476 -1.700 2.604 -3.753 1.00 4.13 C ATOM 631 O ARG A 476 -0.886 2.790 -2.853 1.00 45.41 O ATOM 632 CB ARG A 476 -2.967 4.650 -4.504 1.00 12.30 C ATOM 633 CG ARG A 476 -4.311 5.353 -4.649 1.00 73.04 C ATOM 634 CD ARG A 476 -4.202 6.667 -5.414 1.00 73.35 C ATOM 635 NE ARG A 476 -5.515 7.283 -5.599 1.00 65.31 N ATOM 636 CZ ARG A 476 -5.722 8.563 -5.729 1.00 4.13 C ATOM 637 NH1 ARG A 476 -4.733 9.399 -5.746 1.00 74.12 N ATOM 638 NH2 ARG A 476 -6.929 9.004 -5.850 1.00 21.54 N ATOM 0 H ARG A 476 -2.868 4.041 -1.778 1.00 71.41 H new ATOM 0 HA ARG A 476 -3.780 2.667 -4.242 1.00 0.02 H new ATOM 0 HB2 ARG A 476 -2.273 5.310 -3.983 1.00 12.30 H new ATOM 0 HB3 ARG A 476 -2.551 4.467 -5.495 1.00 12.30 H new ATOM 0 HG2 ARG A 476 -5.009 4.693 -5.164 1.00 73.04 H new ATOM 0 HG3 ARG A 476 -4.726 5.546 -3.659 1.00 73.04 H new ATOM 0 HD2 ARG A 476 -3.549 7.352 -4.873 1.00 73.35 H new ATOM 0 HD3 ARG A 476 -3.742 6.488 -6.386 1.00 73.35 H new ATOM 0 HE ARG A 476 -6.327 6.667 -5.628 1.00 65.31 H new ATOM 0 HH11 ARG A 476 -3.776 9.058 -5.657 1.00 74.12 H new ATOM 0 HH12 ARG A 476 -4.911 10.398 -5.849 1.00 74.12 H new ATOM 0 HH21 ARG A 476 -7.713 8.352 -5.843 1.00 21.54 H new ATOM 0 HH22 ARG A 476 -7.099 10.005 -5.952 1.00 21.54 H new ATOM 652 N VAL A 477 -1.460 1.793 -4.787 1.00 45.21 N ATOM 653 CA VAL A 477 -0.204 1.042 -4.916 1.00 51.55 C ATOM 654 C VAL A 477 0.536 1.416 -6.209 1.00 40.35 C ATOM 655 O VAL A 477 0.006 1.251 -7.309 1.00 73.21 O ATOM 656 CB VAL A 477 -0.460 -0.489 -4.908 1.00 1.51 C ATOM 657 CG1 VAL A 477 0.843 -1.265 -5.108 1.00 22.52 C ATOM 658 CG2 VAL A 477 -1.149 -0.916 -3.614 1.00 62.23 C ATOM 0 H VAL A 477 -2.119 1.638 -5.550 1.00 45.21 H new ATOM 0 HA VAL A 477 0.413 1.308 -4.058 1.00 51.55 H new ATOM 0 HB VAL A 477 -1.122 -0.723 -5.742 1.00 1.51 H new ATOM 0 HG11 VAL A 477 0.635 -2.335 -5.098 1.00 22.52 H new ATOM 0 HG12 VAL A 477 1.287 -0.991 -6.065 1.00 22.52 H new ATOM 0 HG13 VAL A 477 1.538 -1.023 -4.303 1.00 22.52 H new ATOM 0 HG21 VAL A 477 -1.319 -1.993 -3.630 1.00 62.23 H new ATOM 0 HG22 VAL A 477 -0.516 -0.661 -2.764 1.00 62.23 H new ATOM 0 HG23 VAL A 477 -2.105 -0.400 -3.523 1.00 62.23 H new ATOM 668 N TYR A 478 1.762 1.917 -6.064 1.00 31.21 N ATOM 669 CA TYR A 478 2.579 2.354 -7.203 1.00 70.10 C ATOM 670 C TYR A 478 3.802 1.451 -7.403 1.00 13.11 C ATOM 671 O TYR A 478 4.454 1.046 -6.442 1.00 22.43 O ATOM 672 CB TYR A 478 3.058 3.796 -6.987 1.00 43.14 C ATOM 673 CG TYR A 478 1.937 4.805 -6.838 1.00 21.21 C ATOM 674 CD1 TYR A 478 1.397 5.100 -5.590 1.00 63.32 C ATOM 675 CD2 TYR A 478 1.420 5.463 -7.947 1.00 20.23 C ATOM 676 CE1 TYR A 478 0.378 6.022 -5.456 1.00 73.23 C ATOM 677 CE2 TYR A 478 0.402 6.384 -7.816 1.00 63.45 C ATOM 678 CZ TYR A 478 -0.116 6.661 -6.572 1.00 74.21 C ATOM 679 OH TYR A 478 -1.134 7.581 -6.446 1.00 41.42 O ATOM 0 H TYR A 478 2.218 2.032 -5.159 1.00 31.21 H new ATOM 0 HA TYR A 478 1.953 2.294 -8.093 1.00 70.10 H new ATOM 0 HB2 TYR A 478 3.684 3.830 -6.095 1.00 43.14 H new ATOM 0 HB3 TYR A 478 3.686 4.089 -7.828 1.00 43.14 H new ATOM 0 HD1 TYR A 478 1.781 4.600 -4.713 1.00 63.32 H new ATOM 0 HD2 TYR A 478 1.821 5.250 -8.927 1.00 20.23 H new ATOM 0 HE1 TYR A 478 -0.030 6.241 -4.480 1.00 73.23 H new ATOM 0 HE2 TYR A 478 0.012 6.887 -8.689 1.00 63.45 H new ATOM 0 HH TYR A 478 -0.999 8.109 -5.631 1.00 41.42 H new ATOM 689 N ILE A 479 4.108 1.144 -8.659 1.00 54.54 N ATOM 690 CA ILE A 479 5.331 0.423 -9.012 1.00 73.23 C ATOM 691 C ILE A 479 6.256 1.335 -9.833 1.00 41.45 C ATOM 692 O ILE A 479 5.973 1.640 -10.995 1.00 62.42 O ATOM 693 CB ILE A 479 5.017 -0.865 -9.814 1.00 2.53 C ATOM 694 CG1 ILE A 479 4.020 -1.749 -9.039 1.00 32.15 C ATOM 695 CG2 ILE A 479 6.301 -1.637 -10.115 1.00 10.02 C ATOM 696 CD1 ILE A 479 3.623 -3.020 -9.765 1.00 50.23 C ATOM 0 H ILE A 479 3.521 1.385 -9.458 1.00 54.54 H new ATOM 0 HA ILE A 479 5.829 0.132 -8.087 1.00 73.23 H new ATOM 0 HB ILE A 479 4.561 -0.580 -10.762 1.00 2.53 H new ATOM 0 HG12 ILE A 479 4.459 -2.015 -8.077 1.00 32.15 H new ATOM 0 HG13 ILE A 479 3.122 -1.167 -8.830 1.00 32.15 H new ATOM 0 HG21 ILE A 479 6.060 -2.538 -10.679 1.00 10.02 H new ATOM 0 HG22 ILE A 479 6.973 -1.011 -10.702 1.00 10.02 H new ATOM 0 HG23 ILE A 479 6.787 -1.913 -9.179 1.00 10.02 H new ATOM 0 HD11 ILE A 479 2.920 -3.585 -9.152 1.00 50.23 H new ATOM 0 HD12 ILE A 479 3.153 -2.765 -10.715 1.00 50.23 H new ATOM 0 HD13 ILE A 479 4.510 -3.625 -9.950 1.00 50.23 H new ATOM 708 N ASN A 480 7.347 1.784 -9.210 1.00 2.44 N ATOM 709 CA ASN A 480 8.279 2.742 -9.828 1.00 64.45 C ATOM 710 C ASN A 480 7.560 4.019 -10.313 1.00 23.40 C ATOM 711 O ASN A 480 7.951 4.625 -11.314 1.00 73.25 O ATOM 712 CB ASN A 480 9.046 2.098 -10.993 1.00 2.34 C ATOM 713 CG ASN A 480 9.994 0.999 -10.545 1.00 10.41 C ATOM 714 OD1 ASN A 480 10.394 0.935 -9.390 1.00 34.11 O ATOM 715 ND2 ASN A 480 10.385 0.145 -11.466 1.00 23.01 N ATOM 0 H ASN A 480 7.613 1.498 -8.268 1.00 2.44 H new ATOM 0 HA ASN A 480 8.990 3.030 -9.054 1.00 64.45 H new ATOM 0 HB2 ASN A 480 8.333 1.686 -11.707 1.00 2.34 H new ATOM 0 HB3 ASN A 480 9.613 2.868 -11.517 1.00 2.34 H new ATOM 0 HD21 ASN A 480 11.041 -0.599 -11.226 1.00 23.01 H new ATOM 0 HD22 ASN A 480 10.032 0.226 -12.420 1.00 23.01 H new ATOM 722 N GLY A 481 6.529 4.438 -9.577 1.00 33.24 N ATOM 723 CA GLY A 481 5.799 5.658 -9.923 1.00 40.31 C ATOM 724 C GLY A 481 4.449 5.399 -10.591 1.00 72.23 C ATOM 725 O GLY A 481 3.515 6.192 -10.448 1.00 31.40 O ATOM 0 H GLY A 481 6.184 3.957 -8.747 1.00 33.24 H new ATOM 0 HA2 GLY A 481 5.640 6.244 -9.018 1.00 40.31 H new ATOM 0 HA3 GLY A 481 6.414 6.262 -10.590 1.00 40.31 H new ATOM 729 N THR A 482 4.339 4.291 -11.320 1.00 33.43 N ATOM 730 CA THR A 482 3.106 3.956 -12.051 1.00 0.22 C ATOM 731 C THR A 482 2.063 3.289 -11.144 1.00 2.23 C ATOM 732 O THR A 482 2.346 2.280 -10.498 1.00 13.22 O ATOM 733 CB THR A 482 3.403 3.012 -13.244 1.00 44.22 C ATOM 734 OG1 THR A 482 4.350 3.627 -14.132 1.00 12.32 O ATOM 735 CG2 THR A 482 2.129 2.673 -14.015 1.00 32.15 C ATOM 0 H THR A 482 5.087 3.605 -11.424 1.00 33.43 H new ATOM 0 HA THR A 482 2.702 4.899 -12.418 1.00 0.22 H new ATOM 0 HB THR A 482 3.819 2.088 -12.843 1.00 44.22 H new ATOM 0 HG1 THR A 482 4.534 3.024 -14.882 1.00 12.32 H new ATOM 0 HG21 THR A 482 2.372 2.010 -14.845 1.00 32.15 H new ATOM 0 HG22 THR A 482 1.422 2.178 -13.350 1.00 32.15 H new ATOM 0 HG23 THR A 482 1.683 3.589 -14.401 1.00 32.15 H new ATOM 743 N LEU A 483 0.854 3.849 -11.104 1.00 60.35 N ATOM 744 CA LEU A 483 -0.232 3.281 -10.298 1.00 3.44 C ATOM 745 C LEU A 483 -0.657 1.900 -10.826 1.00 0.51 C ATOM 746 O LEU A 483 -1.146 1.773 -11.950 1.00 55.20 O ATOM 747 CB LEU A 483 -1.439 4.233 -10.285 1.00 54.23 C ATOM 748 CG LEU A 483 -2.638 3.769 -9.441 1.00 10.04 C ATOM 749 CD1 LEU A 483 -2.240 3.604 -7.977 1.00 21.44 C ATOM 750 CD2 LEU A 483 -3.800 4.750 -9.577 1.00 41.41 C ATOM 0 H LEU A 483 0.600 4.693 -11.618 1.00 60.35 H new ATOM 0 HA LEU A 483 0.138 3.156 -9.280 1.00 3.44 H new ATOM 0 HB2 LEU A 483 -1.110 5.204 -9.915 1.00 54.23 H new ATOM 0 HB3 LEU A 483 -1.775 4.380 -11.312 1.00 54.23 H new ATOM 0 HG LEU A 483 -2.963 2.798 -9.814 1.00 10.04 H new ATOM 0 HD11 LEU A 483 -3.104 3.275 -7.400 1.00 21.44 H new ATOM 0 HD12 LEU A 483 -1.446 2.861 -7.897 1.00 21.44 H new ATOM 0 HD13 LEU A 483 -1.885 4.558 -7.587 1.00 21.44 H new ATOM 0 HD21 LEU A 483 -4.640 4.406 -8.973 1.00 41.41 H new ATOM 0 HD22 LEU A 483 -3.486 5.736 -9.234 1.00 41.41 H new ATOM 0 HD23 LEU A 483 -4.105 4.810 -10.622 1.00 41.41 H new ATOM 762 N TYR A 484 -0.454 0.869 -10.012 1.00 34.13 N ATOM 763 CA TYR A 484 -0.851 -0.495 -10.370 1.00 12.51 C ATOM 764 C TYR A 484 -2.342 -0.741 -10.076 1.00 70.34 C ATOM 765 O TYR A 484 -3.057 -1.324 -10.893 1.00 53.02 O ATOM 766 CB TYR A 484 0.018 -1.505 -9.602 1.00 62.12 C ATOM 767 CG TYR A 484 -0.479 -2.938 -9.694 1.00 61.01 C ATOM 768 CD1 TYR A 484 -0.214 -3.723 -10.813 1.00 60.24 C ATOM 769 CD2 TYR A 484 -1.231 -3.498 -8.666 1.00 72.31 C ATOM 770 CE1 TYR A 484 -0.682 -5.021 -10.899 1.00 62.15 C ATOM 771 CE2 TYR A 484 -1.702 -4.790 -8.749 1.00 31.12 C ATOM 772 CZ TYR A 484 -1.426 -5.547 -9.865 1.00 33.00 C ATOM 773 OH TYR A 484 -1.906 -6.833 -9.949 1.00 22.42 O ATOM 0 H TYR A 484 -0.015 0.950 -9.095 1.00 34.13 H new ATOM 0 HA TYR A 484 -0.699 -0.626 -11.441 1.00 12.51 H new ATOM 0 HB2 TYR A 484 1.037 -1.459 -9.986 1.00 62.12 H new ATOM 0 HB3 TYR A 484 0.059 -1.211 -8.553 1.00 62.12 H new ATOM 0 HD1 TYR A 484 0.366 -3.312 -11.626 1.00 60.24 H new ATOM 0 HD2 TYR A 484 -1.449 -2.909 -7.787 1.00 72.31 H new ATOM 0 HE1 TYR A 484 -0.466 -5.619 -11.772 1.00 62.15 H new ATOM 0 HE2 TYR A 484 -2.285 -5.207 -7.942 1.00 31.12 H new ATOM 0 HH TYR A 484 -1.158 -7.465 -9.908 1.00 22.42 H new ATOM 783 N LYS A 485 -2.804 -0.292 -8.908 1.00 2.21 N ATOM 784 CA LYS A 485 -4.205 -0.472 -8.500 1.00 75.31 C ATOM 785 C LYS A 485 -4.516 0.343 -7.232 1.00 64.33 C ATOM 786 O LYS A 485 -3.609 0.698 -6.476 1.00 71.21 O ATOM 787 CB LYS A 485 -4.503 -1.970 -8.282 1.00 62.33 C ATOM 788 CG LYS A 485 -5.951 -2.278 -7.898 1.00 22.22 C ATOM 789 CD LYS A 485 -6.344 -3.723 -8.218 1.00 34.23 C ATOM 790 CE LYS A 485 -5.428 -4.745 -7.551 1.00 44.24 C ATOM 791 NZ LYS A 485 -5.828 -6.139 -7.882 1.00 74.23 N ATOM 0 H LYS A 485 -2.230 0.201 -8.224 1.00 2.21 H new ATOM 0 HA LYS A 485 -4.851 -0.103 -9.296 1.00 75.31 H new ATOM 0 HB2 LYS A 485 -4.259 -2.513 -9.195 1.00 62.33 H new ATOM 0 HB3 LYS A 485 -3.844 -2.349 -7.500 1.00 62.33 H new ATOM 0 HG2 LYS A 485 -6.089 -2.094 -6.832 1.00 22.22 H new ATOM 0 HG3 LYS A 485 -6.617 -1.597 -8.428 1.00 22.22 H new ATOM 0 HD2 LYS A 485 -7.370 -3.896 -7.895 1.00 34.23 H new ATOM 0 HD3 LYS A 485 -6.321 -3.871 -9.298 1.00 34.23 H new ATOM 0 HE2 LYS A 485 -4.400 -4.576 -7.870 1.00 44.24 H new ATOM 0 HE3 LYS A 485 -5.453 -4.606 -6.470 1.00 44.24 H new ATOM 0 HZ1 LYS A 485 -5.184 -6.806 -7.412 1.00 74.23 H new ATOM 0 HZ2 LYS A 485 -6.801 -6.308 -7.555 1.00 74.23 H new ATOM 0 HZ3 LYS A 485 -5.780 -6.279 -8.911 1.00 74.23 H new ATOM 805 N ASN A 486 -5.797 0.648 -7.005 1.00 71.44 N ATOM 806 CA ASN A 486 -6.209 1.457 -5.847 1.00 52.14 C ATOM 807 C ASN A 486 -7.474 0.891 -5.169 1.00 72.42 C ATOM 808 O ASN A 486 -8.262 0.175 -5.789 1.00 51.40 O ATOM 809 CB ASN A 486 -6.454 2.906 -6.291 1.00 54.24 C ATOM 810 CG ASN A 486 -7.716 3.064 -7.124 1.00 61.35 C ATOM 811 OD1 ASN A 486 -8.774 3.409 -6.611 1.00 32.22 O ATOM 812 ND2 ASN A 486 -7.623 2.797 -8.411 1.00 41.11 N ATOM 0 H ASN A 486 -6.567 0.349 -7.604 1.00 71.44 H new ATOM 0 HA ASN A 486 -5.403 1.426 -5.114 1.00 52.14 H new ATOM 0 HB2 ASN A 486 -6.524 3.544 -5.410 1.00 54.24 H new ATOM 0 HB3 ASN A 486 -5.597 3.253 -6.869 1.00 54.24 H new ATOM 0 HD21 ASN A 486 -8.446 2.875 -9.009 1.00 41.11 H new ATOM 0 HD22 ASN A 486 -6.728 2.512 -8.809 1.00 41.11 H new ATOM 819 N TRP A 487 -7.653 1.223 -3.891 1.00 54.51 N ATOM 820 CA TRP A 487 -8.832 0.811 -3.119 1.00 44.54 C ATOM 821 C TRP A 487 -9.355 1.972 -2.262 1.00 55.32 C ATOM 822 O TRP A 487 -8.587 2.821 -1.810 1.00 0.51 O ATOM 823 CB TRP A 487 -8.497 -0.367 -2.189 1.00 62.45 C ATOM 824 CG TRP A 487 -8.052 -1.618 -2.891 1.00 54.04 C ATOM 825 CD1 TRP A 487 -8.849 -2.544 -3.498 1.00 41.31 C ATOM 826 CD2 TRP A 487 -6.708 -2.089 -3.036 1.00 34.23 C ATOM 827 NE1 TRP A 487 -8.082 -3.560 -4.012 1.00 73.13 N ATOM 828 CE2 TRP A 487 -6.765 -3.304 -3.742 1.00 44.32 C ATOM 829 CE3 TRP A 487 -5.462 -1.599 -2.639 1.00 51.21 C ATOM 830 CZ2 TRP A 487 -5.625 -4.037 -4.058 1.00 42.32 C ATOM 831 CZ3 TRP A 487 -4.330 -2.328 -2.950 1.00 65.43 C ATOM 832 CH2 TRP A 487 -4.418 -3.533 -3.658 1.00 75.52 C ATOM 0 H TRP A 487 -6.988 1.784 -3.359 1.00 54.51 H new ATOM 0 HA TRP A 487 -9.596 0.507 -3.835 1.00 44.54 H new ATOM 0 HB2 TRP A 487 -7.712 -0.055 -1.500 1.00 62.45 H new ATOM 0 HB3 TRP A 487 -9.376 -0.598 -1.588 1.00 62.45 H new ATOM 0 HD1 TRP A 487 -9.925 -2.486 -3.564 1.00 41.31 H new ATOM 0 HE1 TRP A 487 -8.436 -4.374 -4.514 1.00 73.13 H new ATOM 0 HE3 TRP A 487 -5.385 -0.667 -2.099 1.00 51.21 H new ATOM 0 HZ2 TRP A 487 -5.691 -4.969 -4.599 1.00 42.32 H new ATOM 0 HZ3 TRP A 487 -3.362 -1.962 -2.642 1.00 65.43 H new ATOM 0 HH2 TRP A 487 -3.514 -4.076 -3.893 1.00 75.52 H new ATOM 843 N THR A 488 -10.662 1.999 -2.031 1.00 40.23 N ATOM 844 CA THR A 488 -11.269 2.989 -1.127 1.00 44.31 C ATOM 845 C THR A 488 -12.015 2.277 0.008 1.00 34.13 C ATOM 846 O THR A 488 -12.960 1.525 -0.238 1.00 61.13 O ATOM 847 CB THR A 488 -12.250 3.930 -1.876 1.00 23.41 C ATOM 848 OG1 THR A 488 -11.563 4.631 -2.925 1.00 14.43 O ATOM 849 CG2 THR A 488 -12.882 4.944 -0.925 1.00 4.41 C ATOM 0 H THR A 488 -11.327 1.351 -2.453 1.00 40.23 H new ATOM 0 HA THR A 488 -10.461 3.596 -0.719 1.00 44.31 H new ATOM 0 HB THR A 488 -13.040 3.311 -2.301 1.00 23.41 H new ATOM 0 HG1 THR A 488 -12.192 5.220 -3.391 1.00 14.43 H new ATOM 0 HG21 THR A 488 -13.564 5.588 -1.480 1.00 4.41 H new ATOM 0 HG22 THR A 488 -13.434 4.418 -0.146 1.00 4.41 H new ATOM 0 HG23 THR A 488 -12.100 5.551 -0.469 1.00 4.41 H new ATOM 857 N VAL A 489 -11.595 2.519 1.249 1.00 73.53 N ATOM 858 CA VAL A 489 -12.159 1.819 2.414 1.00 75.25 C ATOM 859 C VAL A 489 -12.351 2.757 3.615 1.00 72.14 C ATOM 860 O VAL A 489 -11.934 3.913 3.597 1.00 52.24 O ATOM 861 CB VAL A 489 -11.261 0.629 2.858 1.00 15.12 C ATOM 862 CG1 VAL A 489 -11.185 -0.438 1.769 1.00 64.44 C ATOM 863 CG2 VAL A 489 -9.863 1.116 3.243 1.00 3.50 C ATOM 0 H VAL A 489 -10.866 3.194 1.479 1.00 73.53 H new ATOM 0 HA VAL A 489 -13.131 1.445 2.093 1.00 75.25 H new ATOM 0 HB VAL A 489 -11.716 0.176 3.739 1.00 15.12 H new ATOM 0 HG11 VAL A 489 -10.551 -1.258 2.106 1.00 64.44 H new ATOM 0 HG12 VAL A 489 -12.186 -0.816 1.559 1.00 64.44 H new ATOM 0 HG13 VAL A 489 -10.764 -0.003 0.862 1.00 64.44 H new ATOM 0 HG21 VAL A 489 -9.253 0.266 3.550 1.00 3.50 H new ATOM 0 HG22 VAL A 489 -9.399 1.605 2.386 1.00 3.50 H new ATOM 0 HG23 VAL A 489 -9.939 1.825 4.068 1.00 3.50 H new ATOM 873 N SER A 490 -12.994 2.241 4.659 1.00 54.52 N ATOM 874 CA SER A 490 -13.156 2.981 5.919 1.00 41.15 C ATOM 875 C SER A 490 -12.404 2.277 7.055 1.00 13.20 C ATOM 876 O SER A 490 -12.511 1.062 7.213 1.00 4.33 O ATOM 877 CB SER A 490 -14.644 3.108 6.285 1.00 24.01 C ATOM 878 OG SER A 490 -15.264 1.833 6.435 1.00 20.10 O ATOM 0 H SER A 490 -13.414 1.312 4.663 1.00 54.52 H new ATOM 0 HA SER A 490 -12.740 3.979 5.781 1.00 41.15 H new ATOM 0 HB2 SER A 490 -14.743 3.672 7.213 1.00 24.01 H new ATOM 0 HB3 SER A 490 -15.161 3.675 5.511 1.00 24.01 H new ATOM 0 HG SER A 490 -14.578 1.153 6.602 1.00 20.10 H new ATOM 884 N LEU A 491 -11.655 3.036 7.850 1.00 3.01 N ATOM 885 CA LEU A 491 -10.900 2.464 8.973 1.00 34.10 C ATOM 886 C LEU A 491 -11.397 3.019 10.311 1.00 21.14 C ATOM 887 O LEU A 491 -11.348 4.228 10.552 1.00 63.23 O ATOM 888 CB LEU A 491 -9.397 2.751 8.819 1.00 4.45 C ATOM 889 CG LEU A 491 -8.708 2.053 7.635 1.00 31.32 C ATOM 890 CD1 LEU A 491 -7.220 2.385 7.605 1.00 5.41 C ATOM 891 CD2 LEU A 491 -8.913 0.541 7.701 1.00 43.42 C ATOM 0 H LEU A 491 -11.551 4.045 7.742 1.00 3.01 H new ATOM 0 HA LEU A 491 -11.060 1.386 8.962 1.00 34.10 H new ATOM 0 HB2 LEU A 491 -9.259 3.827 8.714 1.00 4.45 H new ATOM 0 HB3 LEU A 491 -8.892 2.453 9.738 1.00 4.45 H new ATOM 0 HG LEU A 491 -9.164 2.422 6.716 1.00 31.32 H new ATOM 0 HD11 LEU A 491 -6.752 1.881 6.760 1.00 5.41 H new ATOM 0 HD12 LEU A 491 -7.090 3.462 7.503 1.00 5.41 H new ATOM 0 HD13 LEU A 491 -6.754 2.049 8.531 1.00 5.41 H new ATOM 0 HD21 LEU A 491 -8.417 0.069 6.853 1.00 43.42 H new ATOM 0 HD22 LEU A 491 -8.490 0.157 8.629 1.00 43.42 H new ATOM 0 HD23 LEU A 491 -9.979 0.317 7.668 1.00 43.42 H new ATOM 903 N GLY A 492 -11.860 2.125 11.182 1.00 31.42 N ATOM 904 CA GLY A 492 -12.378 2.535 12.478 1.00 72.55 C ATOM 905 C GLY A 492 -11.285 2.779 13.514 1.00 22.55 C ATOM 906 O GLY A 492 -10.091 2.736 13.197 1.00 65.44 O ATOM 0 H GLY A 492 -11.886 1.120 11.012 1.00 31.42 H new ATOM 0 HA2 GLY A 492 -12.963 3.446 12.356 1.00 72.55 H new ATOM 0 HA3 GLY A 492 -13.057 1.767 12.850 1.00 72.55 H new ATOM 910 N PRO A 493 -11.667 3.039 14.776 1.00 24.33 N ATOM 911 CA PRO A 493 -10.704 3.287 15.858 1.00 45.24 C ATOM 912 C PRO A 493 -9.788 2.077 16.120 1.00 71.44 C ATOM 913 O PRO A 493 -10.183 1.113 16.782 1.00 3.05 O ATOM 914 CB PRO A 493 -11.597 3.585 17.073 1.00 24.12 C ATOM 915 CG PRO A 493 -12.922 2.982 16.737 1.00 14.40 C ATOM 916 CD PRO A 493 -13.060 3.100 15.246 1.00 74.12 C ATOM 0 HA PRO A 493 -10.018 4.100 15.618 1.00 45.24 H new ATOM 0 HB2 PRO A 493 -11.184 3.149 17.983 1.00 24.12 H new ATOM 0 HB3 PRO A 493 -11.684 4.658 17.245 1.00 24.12 H new ATOM 0 HG2 PRO A 493 -12.968 1.940 17.053 1.00 14.40 H new ATOM 0 HG3 PRO A 493 -13.730 3.506 17.247 1.00 14.40 H new ATOM 0 HD2 PRO A 493 -13.661 2.291 14.832 1.00 74.12 H new ATOM 0 HD3 PRO A 493 -13.542 4.034 14.958 1.00 74.12 H new ATOM 924 N LYS A 494 -8.568 2.138 15.574 1.00 22.20 N ATOM 925 CA LYS A 494 -7.579 1.058 15.701 1.00 51.23 C ATOM 926 C LYS A 494 -8.016 -0.211 14.941 1.00 43.22 C ATOM 927 O LYS A 494 -8.004 -1.321 15.484 1.00 51.12 O ATOM 928 CB LYS A 494 -7.288 0.765 17.183 1.00 13.42 C ATOM 929 CG LYS A 494 -6.683 1.959 17.919 1.00 35.34 C ATOM 930 CD LYS A 494 -6.484 1.678 19.403 1.00 41.24 C ATOM 931 CE LYS A 494 -5.846 2.864 20.115 1.00 14.02 C ATOM 932 NZ LYS A 494 -5.669 2.610 21.567 1.00 45.41 N ATOM 0 H LYS A 494 -8.237 2.936 15.032 1.00 22.20 H new ATOM 0 HA LYS A 494 -6.652 1.395 15.237 1.00 51.23 H new ATOM 0 HB2 LYS A 494 -8.213 0.471 17.678 1.00 13.42 H new ATOM 0 HB3 LYS A 494 -6.606 -0.082 17.253 1.00 13.42 H new ATOM 0 HG2 LYS A 494 -5.724 2.215 17.467 1.00 35.34 H new ATOM 0 HG3 LYS A 494 -7.333 2.826 17.799 1.00 35.34 H new ATOM 0 HD2 LYS A 494 -7.445 1.450 19.863 1.00 41.24 H new ATOM 0 HD3 LYS A 494 -5.855 0.797 19.526 1.00 41.24 H new ATOM 0 HE2 LYS A 494 -4.878 3.080 19.664 1.00 14.02 H new ATOM 0 HE3 LYS A 494 -6.467 3.749 19.975 1.00 14.02 H new ATOM 0 HZ1 LYS A 494 -5.232 3.441 22.014 1.00 45.41 H new ATOM 0 HZ2 LYS A 494 -6.596 2.429 22.003 1.00 45.41 H new ATOM 0 HZ3 LYS A 494 -5.055 1.781 21.702 1.00 45.41 H new ATOM 946 N GLU A 495 -8.389 -0.022 13.671 1.00 23.45 N ATOM 947 CA GLU A 495 -8.785 -1.122 12.773 1.00 44.05 C ATOM 948 C GLU A 495 -7.735 -1.347 11.668 1.00 1.42 C ATOM 949 O GLU A 495 -7.074 -0.401 11.227 1.00 0.41 O ATOM 950 CB GLU A 495 -10.150 -0.800 12.128 1.00 30.23 C ATOM 951 CG GLU A 495 -10.553 -1.719 10.965 1.00 60.52 C ATOM 952 CD GLU A 495 -10.895 -3.146 11.385 1.00 44.44 C ATOM 953 OE1 GLU A 495 -10.011 -3.855 11.904 1.00 53.55 O ATOM 954 OE2 GLU A 495 -12.047 -3.576 11.163 1.00 52.30 O ATOM 0 H GLU A 495 -8.426 0.898 13.232 1.00 23.45 H new ATOM 0 HA GLU A 495 -8.859 -2.034 13.366 1.00 44.05 H new ATOM 0 HB2 GLU A 495 -10.920 -0.854 12.898 1.00 30.23 H new ATOM 0 HB3 GLU A 495 -10.131 0.229 11.768 1.00 30.23 H new ATOM 0 HG2 GLU A 495 -11.414 -1.286 10.456 1.00 60.52 H new ATOM 0 HG3 GLU A 495 -9.738 -1.750 10.242 1.00 60.52 H new ATOM 961 N GLU A 496 -7.593 -2.600 11.229 1.00 4.14 N ATOM 962 CA GLU A 496 -6.720 -2.946 10.099 1.00 21.41 C ATOM 963 C GLU A 496 -7.455 -3.817 9.067 1.00 75.11 C ATOM 964 O GLU A 496 -8.174 -4.754 9.422 1.00 44.32 O ATOM 965 CB GLU A 496 -5.465 -3.699 10.564 1.00 21.44 C ATOM 966 CG GLU A 496 -4.570 -4.132 9.398 1.00 3.21 C ATOM 967 CD GLU A 496 -3.440 -5.061 9.805 1.00 43.13 C ATOM 968 OE1 GLU A 496 -3.670 -6.286 9.897 1.00 54.11 O ATOM 969 OE2 GLU A 496 -2.312 -4.580 10.011 1.00 34.41 O ATOM 0 H GLU A 496 -8.075 -3.399 11.641 1.00 4.14 H new ATOM 0 HA GLU A 496 -6.427 -2.002 9.639 1.00 21.41 H new ATOM 0 HB2 GLU A 496 -4.893 -3.062 11.239 1.00 21.44 H new ATOM 0 HB3 GLU A 496 -5.764 -4.579 11.133 1.00 21.44 H new ATOM 0 HG2 GLU A 496 -5.183 -4.629 8.646 1.00 3.21 H new ATOM 0 HG3 GLU A 496 -4.147 -3.244 8.928 1.00 3.21 H new ATOM 976 N LYS A 497 -7.260 -3.505 7.788 1.00 43.13 N ATOM 977 CA LYS A 497 -7.775 -4.331 6.691 1.00 20.21 C ATOM 978 C LYS A 497 -6.603 -4.848 5.843 1.00 2.12 C ATOM 979 O LYS A 497 -5.681 -4.093 5.531 1.00 23.05 O ATOM 980 CB LYS A 497 -8.735 -3.515 5.804 1.00 34.21 C ATOM 981 CG LYS A 497 -9.765 -2.691 6.578 1.00 13.54 C ATOM 982 CD LYS A 497 -10.686 -3.542 7.454 1.00 2.10 C ATOM 983 CE LYS A 497 -11.582 -4.465 6.637 1.00 64.24 C ATOM 984 NZ LYS A 497 -12.619 -5.114 7.485 1.00 12.42 N ATOM 0 H LYS A 497 -6.745 -2.680 7.481 1.00 43.13 H new ATOM 0 HA LYS A 497 -8.322 -5.174 7.114 1.00 20.21 H new ATOM 0 HB2 LYS A 497 -8.148 -2.844 5.177 1.00 34.21 H new ATOM 0 HB3 LYS A 497 -9.261 -4.197 5.136 1.00 34.21 H new ATOM 0 HG2 LYS A 497 -9.244 -1.968 7.206 1.00 13.54 H new ATOM 0 HG3 LYS A 497 -10.370 -2.122 5.872 1.00 13.54 H new ATOM 0 HD2 LYS A 497 -10.082 -4.139 8.137 1.00 2.10 H new ATOM 0 HD3 LYS A 497 -11.306 -2.887 8.066 1.00 2.10 H new ATOM 0 HE2 LYS A 497 -12.065 -3.895 5.843 1.00 64.24 H new ATOM 0 HE3 LYS A 497 -10.974 -5.231 6.155 1.00 64.24 H new ATOM 0 HZ1 LYS A 497 -13.210 -5.735 6.896 1.00 12.42 H new ATOM 0 HZ2 LYS A 497 -12.158 -5.678 8.227 1.00 12.42 H new ATOM 0 HZ3 LYS A 497 -13.215 -4.384 7.925 1.00 12.42 H new ATOM 998 N VAL A 498 -6.620 -6.128 5.476 1.00 65.42 N ATOM 999 CA VAL A 498 -5.561 -6.685 4.624 1.00 42.52 C ATOM 1000 C VAL A 498 -6.028 -6.800 3.164 1.00 73.14 C ATOM 1001 O VAL A 498 -6.925 -7.583 2.838 1.00 42.11 O ATOM 1002 CB VAL A 498 -5.089 -8.074 5.130 1.00 24.44 C ATOM 1003 CG1 VAL A 498 -4.023 -8.665 4.203 1.00 1.12 C ATOM 1004 CG2 VAL A 498 -4.563 -7.969 6.560 1.00 62.05 C ATOM 0 H VAL A 498 -7.343 -6.794 5.748 1.00 65.42 H new ATOM 0 HA VAL A 498 -4.719 -5.995 4.675 1.00 42.52 H new ATOM 0 HB VAL A 498 -5.946 -8.747 5.124 1.00 24.44 H new ATOM 0 HG11 VAL A 498 -3.711 -9.638 4.582 1.00 1.12 H new ATOM 0 HG12 VAL A 498 -4.436 -8.781 3.201 1.00 1.12 H new ATOM 0 HG13 VAL A 498 -3.163 -7.997 4.166 1.00 1.12 H new ATOM 0 HG21 VAL A 498 -4.236 -8.951 6.900 1.00 62.05 H new ATOM 0 HG22 VAL A 498 -3.722 -7.276 6.588 1.00 62.05 H new ATOM 0 HG23 VAL A 498 -5.356 -7.604 7.213 1.00 62.05 H new ATOM 1014 N LEU A 499 -5.412 -6.005 2.294 1.00 41.12 N ATOM 1015 CA LEU A 499 -5.746 -5.989 0.866 1.00 4.40 C ATOM 1016 C LEU A 499 -4.656 -6.691 0.046 1.00 13.11 C ATOM 1017 O LEU A 499 -3.483 -6.349 0.147 1.00 4.23 O ATOM 1018 CB LEU A 499 -5.899 -4.534 0.396 1.00 71.51 C ATOM 1019 CG LEU A 499 -6.924 -3.702 1.186 1.00 2.21 C ATOM 1020 CD1 LEU A 499 -6.889 -2.240 0.752 1.00 53.31 C ATOM 1021 CD2 LEU A 499 -8.328 -4.282 1.023 1.00 4.43 C ATOM 0 H LEU A 499 -4.670 -5.355 2.553 1.00 41.12 H new ATOM 0 HA LEU A 499 -6.684 -6.524 0.717 1.00 4.40 H new ATOM 0 HB2 LEU A 499 -4.928 -4.043 0.460 1.00 71.51 H new ATOM 0 HB3 LEU A 499 -6.187 -4.536 -0.655 1.00 71.51 H new ATOM 0 HG LEU A 499 -6.656 -3.746 2.242 1.00 2.21 H new ATOM 0 HD11 LEU A 499 -7.622 -1.673 1.325 1.00 53.31 H new ATOM 0 HD12 LEU A 499 -5.894 -1.831 0.930 1.00 53.31 H new ATOM 0 HD13 LEU A 499 -7.125 -2.170 -0.310 1.00 53.31 H new ATOM 0 HD21 LEU A 499 -9.038 -3.680 1.589 1.00 4.43 H new ATOM 0 HD22 LEU A 499 -8.605 -4.274 -0.031 1.00 4.43 H new ATOM 0 HD23 LEU A 499 -8.344 -5.307 1.395 1.00 4.43 H new ATOM 1033 N THR A 500 -5.038 -7.663 -0.774 1.00 31.30 N ATOM 1034 CA THR A 500 -4.063 -8.417 -1.576 1.00 0.25 C ATOM 1035 C THR A 500 -4.211 -8.132 -3.068 1.00 62.44 C ATOM 1036 O THR A 500 -5.285 -7.761 -3.546 1.00 14.54 O ATOM 1037 CB THR A 500 -4.199 -9.947 -1.372 1.00 15.52 C ATOM 1038 OG1 THR A 500 -5.570 -10.348 -1.510 1.00 11.12 O ATOM 1039 CG2 THR A 500 -3.665 -10.388 -0.017 1.00 55.11 C ATOM 0 H THR A 500 -6.007 -7.951 -0.906 1.00 31.30 H new ATOM 0 HA THR A 500 -3.085 -8.085 -1.229 1.00 0.25 H new ATOM 0 HB THR A 500 -3.599 -10.433 -2.142 1.00 15.52 H new ATOM 0 HG1 THR A 500 -5.642 -11.317 -1.381 1.00 11.12 H new ATOM 0 HG21 THR A 500 -3.779 -11.467 0.085 1.00 55.11 H new ATOM 0 HG22 THR A 500 -2.610 -10.126 0.061 1.00 55.11 H new ATOM 0 HG23 THR A 500 -4.223 -9.887 0.774 1.00 55.11 H new ATOM 1047 N PHE A 501 -3.116 -8.311 -3.798 1.00 34.34 N ATOM 1048 CA PHE A 501 -3.121 -8.176 -5.254 1.00 44.33 C ATOM 1049 C PHE A 501 -2.144 -9.170 -5.894 1.00 3.24 C ATOM 1050 O PHE A 501 -1.118 -9.523 -5.304 1.00 44.12 O ATOM 1051 CB PHE A 501 -2.779 -6.735 -5.673 1.00 72.43 C ATOM 1052 CG PHE A 501 -1.418 -6.252 -5.223 1.00 71.13 C ATOM 1053 CD1 PHE A 501 -1.257 -5.639 -3.987 1.00 63.31 C ATOM 1054 CD2 PHE A 501 -0.304 -6.397 -6.041 1.00 35.30 C ATOM 1055 CE1 PHE A 501 -0.017 -5.184 -3.579 1.00 11.41 C ATOM 1056 CE2 PHE A 501 0.937 -5.945 -5.636 1.00 52.45 C ATOM 1057 CZ PHE A 501 1.081 -5.337 -4.404 1.00 61.44 C ATOM 0 H PHE A 501 -2.206 -8.552 -3.404 1.00 34.34 H new ATOM 0 HA PHE A 501 -4.125 -8.404 -5.611 1.00 44.33 H new ATOM 0 HB2 PHE A 501 -2.834 -6.664 -6.759 1.00 72.43 H new ATOM 0 HB3 PHE A 501 -3.539 -6.064 -5.271 1.00 72.43 H new ATOM 0 HD1 PHE A 501 -2.111 -5.516 -3.337 1.00 63.31 H new ATOM 0 HD2 PHE A 501 -0.410 -6.869 -7.006 1.00 35.30 H new ATOM 0 HE1 PHE A 501 0.094 -4.709 -2.615 1.00 11.41 H new ATOM 0 HE2 PHE A 501 1.794 -6.067 -6.282 1.00 52.45 H new ATOM 0 HZ PHE A 501 2.050 -4.982 -4.086 1.00 61.44 H new ATOM 1067 N SER A 502 -2.472 -9.615 -7.099 1.00 52.10 N ATOM 1068 CA SER A 502 -1.629 -10.553 -7.840 1.00 54.43 C ATOM 1069 C SER A 502 -0.986 -9.863 -9.049 1.00 15.21 C ATOM 1070 O SER A 502 -1.666 -9.468 -9.997 1.00 2.32 O ATOM 1071 CB SER A 502 -2.464 -11.756 -8.296 1.00 23.15 C ATOM 1072 OG SER A 502 -3.643 -11.338 -8.967 1.00 64.13 O ATOM 0 H SER A 502 -3.323 -9.341 -7.591 1.00 52.10 H new ATOM 0 HA SER A 502 -0.833 -10.901 -7.182 1.00 54.43 H new ATOM 0 HB2 SER A 502 -1.869 -12.385 -8.958 1.00 23.15 H new ATOM 0 HB3 SER A 502 -2.731 -12.365 -7.432 1.00 23.15 H new ATOM 0 HG SER A 502 -3.436 -10.576 -9.547 1.00 64.13 H new ATOM 1078 N TRP A 503 0.333 -9.731 -9.006 1.00 33.14 N ATOM 1079 CA TRP A 503 1.090 -9.009 -10.032 1.00 53.40 C ATOM 1080 C TRP A 503 1.940 -9.972 -10.876 1.00 73.23 C ATOM 1081 O TRP A 503 2.556 -10.899 -10.351 1.00 2.52 O ATOM 1082 CB TRP A 503 1.975 -7.953 -9.350 1.00 62.03 C ATOM 1083 CG TRP A 503 2.863 -7.180 -10.287 1.00 13.15 C ATOM 1084 CD1 TRP A 503 2.481 -6.482 -11.399 1.00 65.53 C ATOM 1085 CD2 TRP A 503 4.281 -7.008 -10.173 1.00 13.24 C ATOM 1086 NE1 TRP A 503 3.576 -5.897 -11.986 1.00 40.12 N ATOM 1087 CE2 TRP A 503 4.693 -6.203 -11.252 1.00 73.20 C ATOM 1088 CE3 TRP A 503 5.242 -7.460 -9.262 1.00 3.14 C ATOM 1089 CZ2 TRP A 503 6.023 -5.838 -11.444 1.00 44.11 C ATOM 1090 CZ3 TRP A 503 6.561 -7.099 -9.452 1.00 22.31 C ATOM 1091 CH2 TRP A 503 6.943 -6.294 -10.536 1.00 0.12 C ATOM 0 H TRP A 503 0.912 -10.119 -8.262 1.00 33.14 H new ATOM 0 HA TRP A 503 0.393 -8.516 -10.710 1.00 53.40 H new ATOM 0 HB2 TRP A 503 1.334 -7.251 -8.816 1.00 62.03 H new ATOM 0 HB3 TRP A 503 2.598 -8.447 -8.604 1.00 62.03 H new ATOM 0 HD1 TRP A 503 1.467 -6.402 -11.762 1.00 65.53 H new ATOM 0 HE1 TRP A 503 3.561 -5.327 -12.832 1.00 40.12 H new ATOM 0 HE3 TRP A 503 4.957 -8.080 -8.425 1.00 3.14 H new ATOM 0 HZ2 TRP A 503 6.319 -5.218 -12.278 1.00 44.11 H new ATOM 0 HZ3 TRP A 503 7.311 -7.442 -8.755 1.00 22.31 H new ATOM 0 HH2 TRP A 503 7.983 -6.028 -10.657 1.00 0.12 H new ATOM 1102 N THR A 504 1.948 -9.760 -12.192 1.00 73.55 N ATOM 1103 CA THR A 504 2.751 -10.587 -13.107 1.00 62.22 C ATOM 1104 C THR A 504 3.725 -9.722 -13.923 1.00 1.24 C ATOM 1105 O THR A 504 3.333 -9.088 -14.907 1.00 31.00 O ATOM 1106 CB THR A 504 1.851 -11.387 -14.089 1.00 31.23 C ATOM 1107 OG1 THR A 504 0.875 -12.148 -13.358 1.00 43.52 O ATOM 1108 CG2 THR A 504 2.680 -12.329 -14.961 1.00 25.41 C ATOM 0 H THR A 504 1.410 -9.025 -12.652 1.00 73.55 H new ATOM 0 HA THR A 504 3.314 -11.285 -12.487 1.00 62.22 H new ATOM 0 HB THR A 504 1.348 -10.669 -14.737 1.00 31.23 H new ATOM 0 HG1 THR A 504 0.312 -12.647 -13.986 1.00 43.52 H new ATOM 0 HG21 THR A 504 2.021 -12.874 -15.637 1.00 25.41 H new ATOM 0 HG22 THR A 504 3.397 -11.750 -15.542 1.00 25.41 H new ATOM 0 HG23 THR A 504 3.214 -13.036 -14.327 1.00 25.41 H new ATOM 1116 N PRO A 505 5.009 -9.672 -13.525 1.00 25.33 N ATOM 1117 CA PRO A 505 6.031 -8.909 -14.259 1.00 24.54 C ATOM 1118 C PRO A 505 6.495 -9.622 -15.542 1.00 50.23 C ATOM 1119 O PRO A 505 7.216 -10.618 -15.487 1.00 63.34 O ATOM 1120 CB PRO A 505 7.177 -8.807 -13.248 1.00 23.41 C ATOM 1121 CG PRO A 505 7.045 -10.033 -12.403 1.00 14.43 C ATOM 1122 CD PRO A 505 5.567 -10.332 -12.324 1.00 62.04 C ATOM 0 HA PRO A 505 5.657 -7.944 -14.602 1.00 24.54 H new ATOM 0 HB2 PRO A 505 8.145 -8.773 -13.748 1.00 23.41 H new ATOM 0 HB3 PRO A 505 7.096 -7.901 -12.647 1.00 23.41 H new ATOM 0 HG2 PRO A 505 7.589 -10.869 -12.843 1.00 14.43 H new ATOM 0 HG3 PRO A 505 7.463 -9.868 -11.410 1.00 14.43 H new ATOM 0 HD2 PRO A 505 5.375 -11.405 -12.331 1.00 62.04 H new ATOM 0 HD3 PRO A 505 5.127 -9.936 -11.409 1.00 62.04 H new ATOM 1130 N THR A 506 6.074 -9.113 -16.699 1.00 73.54 N ATOM 1131 CA THR A 506 6.423 -9.727 -17.991 1.00 11.33 C ATOM 1132 C THR A 506 7.740 -9.172 -18.552 1.00 44.41 C ATOM 1133 O THR A 506 8.243 -9.649 -19.571 1.00 64.42 O ATOM 1134 CB THR A 506 5.308 -9.520 -19.043 1.00 21.10 C ATOM 1135 OG1 THR A 506 5.161 -8.126 -19.349 1.00 71.30 O ATOM 1136 CG2 THR A 506 3.977 -10.076 -18.544 1.00 54.23 C ATOM 0 H THR A 506 5.492 -8.279 -16.774 1.00 73.54 H new ATOM 0 HA THR A 506 6.540 -10.793 -17.795 1.00 11.33 H new ATOM 0 HB THR A 506 5.596 -10.059 -19.946 1.00 21.10 H new ATOM 0 HG1 THR A 506 4.453 -8.011 -20.017 1.00 71.30 H new ATOM 0 HG21 THR A 506 3.210 -9.918 -19.302 1.00 54.23 H new ATOM 0 HG22 THR A 506 4.079 -11.143 -18.348 1.00 54.23 H new ATOM 0 HG23 THR A 506 3.690 -9.564 -17.625 1.00 54.23 H new ATOM 1144 N GLN A 507 8.296 -8.164 -17.882 1.00 23.03 N ATOM 1145 CA GLN A 507 9.577 -7.569 -18.283 1.00 51.13 C ATOM 1146 C GLN A 507 10.575 -7.574 -17.112 1.00 42.42 C ATOM 1147 O GLN A 507 10.218 -7.237 -15.981 1.00 73.42 O ATOM 1148 CB GLN A 507 9.360 -6.133 -18.785 1.00 72.25 C ATOM 1149 CG GLN A 507 10.641 -5.422 -19.218 1.00 62.04 C ATOM 1150 CD GLN A 507 11.351 -6.138 -20.355 1.00 51.14 C ATOM 1151 OE1 GLN A 507 12.194 -7.001 -20.133 1.00 42.35 O ATOM 1152 NE2 GLN A 507 11.006 -5.798 -21.579 1.00 72.44 N ATOM 0 H GLN A 507 7.879 -7.738 -17.054 1.00 23.03 H new ATOM 0 HA GLN A 507 9.994 -8.170 -19.091 1.00 51.13 H new ATOM 0 HB2 GLN A 507 8.667 -6.155 -19.626 1.00 72.25 H new ATOM 0 HB3 GLN A 507 8.884 -5.552 -17.995 1.00 72.25 H new ATOM 0 HG2 GLN A 507 10.401 -4.405 -19.528 1.00 62.04 H new ATOM 0 HG3 GLN A 507 11.315 -5.344 -18.365 1.00 62.04 H new ATOM 0 HE21 GLN A 507 10.301 -5.076 -21.728 1.00 72.44 H new ATOM 0 HE22 GLN A 507 11.444 -6.257 -22.378 1.00 72.44 H new ATOM 1161 N GLU A 508 11.825 -7.948 -17.393 1.00 41.32 N ATOM 1162 CA GLU A 508 12.863 -8.031 -16.356 1.00 41.02 C ATOM 1163 C GLU A 508 13.335 -6.639 -15.903 1.00 41.13 C ATOM 1164 O GLU A 508 13.272 -5.671 -16.662 1.00 3.00 O ATOM 1165 CB GLU A 508 14.054 -8.887 -16.844 1.00 71.21 C ATOM 1166 CG GLU A 508 14.730 -8.412 -18.141 1.00 60.00 C ATOM 1167 CD GLU A 508 15.695 -7.242 -17.956 1.00 51.30 C ATOM 1168 OE1 GLU A 508 16.361 -7.167 -16.902 1.00 74.25 O ATOM 1169 OE2 GLU A 508 15.816 -6.410 -18.885 1.00 3.24 O ATOM 0 H GLU A 508 12.146 -8.199 -18.328 1.00 41.32 H new ATOM 0 HA GLU A 508 12.420 -8.518 -15.488 1.00 41.02 H new ATOM 0 HB2 GLU A 508 14.805 -8.916 -16.054 1.00 71.21 H new ATOM 0 HB3 GLU A 508 13.707 -9.910 -16.991 1.00 71.21 H new ATOM 0 HG2 GLU A 508 15.272 -9.249 -18.582 1.00 60.00 H new ATOM 0 HG3 GLU A 508 13.958 -8.122 -18.854 1.00 60.00 H new ATOM 1176 N GLY A 509 13.775 -6.540 -14.652 1.00 51.44 N ATOM 1177 CA GLY A 509 14.293 -5.280 -14.130 1.00 14.13 C ATOM 1178 C GLY A 509 14.063 -5.119 -12.632 1.00 10.04 C ATOM 1179 O GLY A 509 13.470 -5.984 -11.987 1.00 54.24 O ATOM 0 H GLY A 509 13.783 -7.312 -13.985 1.00 51.44 H new ATOM 0 HA2 GLY A 509 15.361 -5.219 -14.337 1.00 14.13 H new ATOM 0 HA3 GLY A 509 13.818 -4.452 -14.656 1.00 14.13 H new ATOM 1183 N MET A 510 14.538 -4.010 -12.075 1.00 1.21 N ATOM 1184 CA MET A 510 14.354 -3.723 -10.652 1.00 11.22 C ATOM 1185 C MET A 510 13.088 -2.880 -10.417 1.00 24.22 C ATOM 1186 O MET A 510 13.005 -1.730 -10.850 1.00 1.23 O ATOM 1187 CB MET A 510 15.586 -2.997 -10.097 1.00 44.32 C ATOM 1188 CG MET A 510 15.555 -2.830 -8.584 1.00 44.24 C ATOM 1189 SD MET A 510 15.403 -4.409 -7.725 1.00 31.20 S ATOM 1190 CE MET A 510 15.325 -3.870 -6.019 1.00 73.13 C ATOM 0 H MET A 510 15.054 -3.293 -12.585 1.00 1.21 H new ATOM 0 HA MET A 510 14.232 -4.670 -10.126 1.00 11.22 H new ATOM 0 HB2 MET A 510 16.482 -3.551 -10.376 1.00 44.32 H new ATOM 0 HB3 MET A 510 15.661 -2.014 -10.563 1.00 44.32 H new ATOM 0 HG2 MET A 510 16.465 -2.327 -8.257 1.00 44.24 H new ATOM 0 HG3 MET A 510 14.719 -2.187 -8.309 1.00 44.24 H new ATOM 0 HE1 MET A 510 14.657 -4.526 -5.460 1.00 73.13 H new ATOM 0 HE2 MET A 510 16.322 -3.908 -5.580 1.00 73.13 H new ATOM 0 HE3 MET A 510 14.949 -2.848 -5.977 1.00 73.13 H new ATOM 1200 N TYR A 511 12.104 -3.456 -9.733 1.00 11.20 N ATOM 1201 CA TYR A 511 10.829 -2.770 -9.476 1.00 24.03 C ATOM 1202 C TYR A 511 10.667 -2.426 -7.991 1.00 31.22 C ATOM 1203 O TYR A 511 11.113 -3.169 -7.125 1.00 53.13 O ATOM 1204 CB TYR A 511 9.653 -3.639 -9.944 1.00 1.05 C ATOM 1205 CG TYR A 511 9.610 -3.853 -11.451 1.00 74.25 C ATOM 1206 CD1 TYR A 511 10.418 -4.805 -12.067 1.00 10.43 C ATOM 1207 CD2 TYR A 511 8.762 -3.099 -12.260 1.00 50.33 C ATOM 1208 CE1 TYR A 511 10.378 -5.001 -13.434 1.00 23.44 C ATOM 1209 CE2 TYR A 511 8.718 -3.292 -13.627 1.00 71.30 C ATOM 1210 CZ TYR A 511 9.528 -4.242 -14.209 1.00 1.33 C ATOM 1211 OH TYR A 511 9.485 -4.438 -15.570 1.00 60.24 O ATOM 0 H TYR A 511 12.159 -4.397 -9.344 1.00 11.20 H new ATOM 0 HA TYR A 511 10.834 -1.838 -10.040 1.00 24.03 H new ATOM 0 HB2 TYR A 511 9.711 -4.609 -9.450 1.00 1.05 H new ATOM 0 HB3 TYR A 511 8.720 -3.174 -9.625 1.00 1.05 H new ATOM 0 HD1 TYR A 511 11.088 -5.401 -11.465 1.00 10.43 H new ATOM 0 HD2 TYR A 511 8.128 -2.350 -11.810 1.00 50.33 H new ATOM 0 HE1 TYR A 511 11.010 -5.746 -13.894 1.00 23.44 H new ATOM 0 HE2 TYR A 511 8.051 -2.701 -14.237 1.00 71.30 H new ATOM 0 HH TYR A 511 9.729 -5.365 -15.775 1.00 60.24 H new ATOM 1221 N ARG A 512 10.042 -1.288 -7.703 1.00 4.20 N ATOM 1222 CA ARG A 512 9.766 -0.887 -6.318 1.00 11.14 C ATOM 1223 C ARG A 512 8.263 -0.647 -6.101 1.00 54.42 C ATOM 1224 O ARG A 512 7.677 0.260 -6.697 1.00 24.15 O ATOM 1225 CB ARG A 512 10.568 0.371 -5.951 1.00 53.34 C ATOM 1226 CG ARG A 512 10.340 0.842 -4.519 1.00 11.54 C ATOM 1227 CD ARG A 512 11.301 1.956 -4.122 1.00 30.14 C ATOM 1228 NE ARG A 512 12.690 1.497 -4.106 1.00 63.13 N ATOM 1229 CZ ARG A 512 13.567 1.817 -3.194 1.00 65.45 C ATOM 1230 NH1 ARG A 512 13.259 2.634 -2.236 1.00 75.22 N ATOM 1231 NH2 ARG A 512 14.761 1.322 -3.260 1.00 3.20 N ATOM 0 H ARG A 512 9.716 -0.625 -8.406 1.00 4.20 H new ATOM 0 HA ARG A 512 10.077 -1.702 -5.664 1.00 11.14 H new ATOM 0 HB2 ARG A 512 11.630 0.170 -6.094 1.00 53.34 H new ATOM 0 HB3 ARG A 512 10.301 1.175 -6.636 1.00 53.34 H new ATOM 0 HG2 ARG A 512 9.314 1.194 -4.413 1.00 11.54 H new ATOM 0 HG3 ARG A 512 10.460 -0.000 -3.837 1.00 11.54 H new ATOM 0 HD2 ARG A 512 11.201 2.788 -4.820 1.00 30.14 H new ATOM 0 HD3 ARG A 512 11.032 2.334 -3.136 1.00 30.14 H new ATOM 0 HE ARG A 512 12.995 0.883 -4.861 1.00 63.13 H new ATOM 0 HH11 ARG A 512 12.322 3.035 -2.189 1.00 75.22 H new ATOM 0 HH12 ARG A 512 13.953 2.876 -1.529 1.00 75.22 H new ATOM 0 HH21 ARG A 512 15.009 0.688 -4.020 1.00 3.20 H new ATOM 0 HH22 ARG A 512 15.454 1.566 -2.552 1.00 3.20 H new ATOM 1245 N ILE A 513 7.654 -1.472 -5.252 1.00 75.40 N ATOM 1246 CA ILE A 513 6.223 -1.369 -4.946 1.00 62.20 C ATOM 1247 C ILE A 513 5.986 -0.559 -3.662 1.00 71.12 C ATOM 1248 O ILE A 513 6.366 -0.979 -2.566 1.00 73.50 O ATOM 1249 CB ILE A 513 5.583 -2.775 -4.794 1.00 75.30 C ATOM 1250 CG1 ILE A 513 5.802 -3.605 -6.074 1.00 4.44 C ATOM 1251 CG2 ILE A 513 4.089 -2.664 -4.471 1.00 12.52 C ATOM 1252 CD1 ILE A 513 5.224 -5.004 -6.008 1.00 72.42 C ATOM 0 H ILE A 513 8.131 -2.226 -4.758 1.00 75.40 H new ATOM 0 HA ILE A 513 5.752 -0.852 -5.782 1.00 62.20 H new ATOM 0 HB ILE A 513 6.070 -3.284 -3.963 1.00 75.30 H new ATOM 0 HG12 ILE A 513 5.356 -3.078 -6.917 1.00 4.44 H new ATOM 0 HG13 ILE A 513 6.872 -3.674 -6.271 1.00 4.44 H new ATOM 0 HG21 ILE A 513 3.664 -3.662 -4.369 1.00 12.52 H new ATOM 0 HG22 ILE A 513 3.958 -2.117 -3.537 1.00 12.52 H new ATOM 0 HG23 ILE A 513 3.581 -2.133 -5.276 1.00 12.52 H new ATOM 0 HD11 ILE A 513 5.420 -5.523 -6.946 1.00 72.42 H new ATOM 0 HD12 ILE A 513 5.688 -5.551 -5.187 1.00 72.42 H new ATOM 0 HD13 ILE A 513 4.148 -4.946 -5.843 1.00 72.42 H new ATOM 1264 N ASN A 514 5.362 0.608 -3.805 1.00 12.40 N ATOM 1265 CA ASN A 514 5.059 1.482 -2.664 1.00 51.22 C ATOM 1266 C ASN A 514 3.548 1.701 -2.510 1.00 52.01 C ATOM 1267 O ASN A 514 2.816 1.764 -3.497 1.00 73.13 O ATOM 1268 CB ASN A 514 5.755 2.840 -2.828 1.00 22.54 C ATOM 1269 CG ASN A 514 7.263 2.756 -2.683 1.00 52.11 C ATOM 1270 OD1 ASN A 514 7.883 1.754 -3.006 1.00 20.54 O ATOM 1271 ND2 ASN A 514 7.865 3.816 -2.191 1.00 5.35 N ATOM 0 H ASN A 514 5.053 0.976 -4.705 1.00 12.40 H new ATOM 0 HA ASN A 514 5.431 0.987 -1.767 1.00 51.22 H new ATOM 0 HB2 ASN A 514 5.512 3.250 -3.808 1.00 22.54 H new ATOM 0 HB3 ASN A 514 5.363 3.535 -2.086 1.00 22.54 H new ATOM 0 HD21 ASN A 514 8.878 3.817 -2.070 1.00 5.35 H new ATOM 0 HD22 ASN A 514 7.319 4.638 -1.931 1.00 5.35 H new ATOM 1278 N ALA A 515 3.087 1.825 -1.269 1.00 71.03 N ATOM 1279 CA ALA A 515 1.667 2.083 -0.993 1.00 34.30 C ATOM 1280 C ALA A 515 1.469 3.450 -0.330 1.00 24.41 C ATOM 1281 O ALA A 515 2.308 3.898 0.456 1.00 41.13 O ATOM 1282 CB ALA A 515 1.070 0.978 -0.125 1.00 2.14 C ATOM 0 H ALA A 515 3.671 1.752 -0.436 1.00 71.03 H new ATOM 0 HA ALA A 515 1.143 2.091 -1.949 1.00 34.30 H new ATOM 0 HB1 ALA A 515 0.018 1.193 0.065 1.00 2.14 H new ATOM 0 HB2 ALA A 515 1.158 0.022 -0.641 1.00 2.14 H new ATOM 0 HB3 ALA A 515 1.607 0.929 0.822 1.00 2.14 H new ATOM 1288 N THR A 516 0.360 4.106 -0.658 1.00 34.13 N ATOM 1289 CA THR A 516 0.038 5.438 -0.123 1.00 65.34 C ATOM 1290 C THR A 516 -1.411 5.512 0.377 1.00 15.14 C ATOM 1291 O THR A 516 -2.297 4.835 -0.149 1.00 12.01 O ATOM 1292 CB THR A 516 0.232 6.536 -1.197 1.00 32.25 C ATOM 1293 OG1 THR A 516 -0.563 6.236 -2.352 1.00 62.42 O ATOM 1294 CG2 THR A 516 1.698 6.667 -1.606 1.00 0.43 C ATOM 0 H THR A 516 -0.342 3.737 -1.299 1.00 34.13 H new ATOM 0 HA THR A 516 0.721 5.606 0.710 1.00 65.34 H new ATOM 0 HB THR A 516 -0.087 7.484 -0.765 1.00 32.25 H new ATOM 0 HG1 THR A 516 -1.512 6.352 -2.135 1.00 62.42 H new ATOM 0 HG21 THR A 516 1.797 7.447 -2.361 1.00 0.43 H new ATOM 0 HG22 THR A 516 2.297 6.929 -0.734 1.00 0.43 H new ATOM 0 HG23 THR A 516 2.048 5.719 -2.015 1.00 0.43 H new ATOM 1302 N VAL A 517 -1.650 6.331 1.398 1.00 32.35 N ATOM 1303 CA VAL A 517 -3.008 6.565 1.906 1.00 32.42 C ATOM 1304 C VAL A 517 -3.294 8.073 2.063 1.00 24.42 C ATOM 1305 O VAL A 517 -2.376 8.872 2.245 1.00 14.44 O ATOM 1306 CB VAL A 517 -3.242 5.829 3.251 1.00 65.24 C ATOM 1307 CG1 VAL A 517 -2.293 6.338 4.326 1.00 20.20 C ATOM 1308 CG2 VAL A 517 -4.694 5.952 3.704 1.00 12.41 C ATOM 0 H VAL A 517 -0.923 6.847 1.894 1.00 32.35 H new ATOM 0 HA VAL A 517 -3.703 6.159 1.170 1.00 32.42 H new ATOM 0 HB VAL A 517 -3.032 4.772 3.089 1.00 65.24 H new ATOM 0 HG11 VAL A 517 -2.479 5.805 5.258 1.00 20.20 H new ATOM 0 HG12 VAL A 517 -1.263 6.170 4.011 1.00 20.20 H new ATOM 0 HG13 VAL A 517 -2.456 7.405 4.480 1.00 20.20 H new ATOM 0 HG21 VAL A 517 -4.826 5.426 4.649 1.00 12.41 H new ATOM 0 HG22 VAL A 517 -4.946 7.004 3.836 1.00 12.41 H new ATOM 0 HG23 VAL A 517 -5.349 5.514 2.951 1.00 12.41 H new ATOM 1318 N ASP A 518 -4.576 8.445 1.960 1.00 21.41 N ATOM 1319 CA ASP A 518 -5.012 9.854 2.001 1.00 14.00 C ATOM 1320 C ASP A 518 -4.276 10.701 0.943 1.00 12.41 C ATOM 1321 O ASP A 518 -3.904 11.850 1.179 1.00 70.00 O ATOM 1322 CB ASP A 518 -4.851 10.460 3.411 1.00 21.10 C ATOM 1323 CG ASP A 518 -5.501 11.841 3.525 1.00 53.21 C ATOM 1324 OD1 ASP A 518 -6.712 11.964 3.227 1.00 13.30 O ATOM 1325 OD2 ASP A 518 -4.808 12.813 3.893 1.00 75.13 O ATOM 0 H ASP A 518 -5.342 7.782 1.846 1.00 21.41 H new ATOM 0 HA ASP A 518 -6.075 9.870 1.759 1.00 14.00 H new ATOM 0 HB2 ASP A 518 -5.296 9.789 4.146 1.00 21.10 H new ATOM 0 HB3 ASP A 518 -3.791 10.538 3.652 1.00 21.10 H new ATOM 1330 N GLU A 519 -4.091 10.118 -0.240 1.00 1.53 N ATOM 1331 CA GLU A 519 -3.546 10.840 -1.403 1.00 13.42 C ATOM 1332 C GLU A 519 -4.331 12.133 -1.676 1.00 44.21 C ATOM 1333 O GLU A 519 -3.782 13.124 -2.168 1.00 61.15 O ATOM 1334 CB GLU A 519 -3.573 9.928 -2.639 1.00 31.13 C ATOM 1335 CG GLU A 519 -2.568 8.784 -2.588 1.00 5.53 C ATOM 1336 CD GLU A 519 -1.139 9.256 -2.799 1.00 20.31 C ATOM 1337 OE1 GLU A 519 -0.514 9.742 -1.832 1.00 75.24 O ATOM 1338 OE2 GLU A 519 -0.640 9.142 -3.943 1.00 42.54 O ATOM 0 H GLU A 519 -4.311 9.139 -0.425 1.00 1.53 H new ATOM 0 HA GLU A 519 -2.516 11.118 -1.182 1.00 13.42 H new ATOM 0 HB2 GLU A 519 -4.575 9.513 -2.750 1.00 31.13 H new ATOM 0 HB3 GLU A 519 -3.378 10.530 -3.526 1.00 31.13 H new ATOM 0 HG2 GLU A 519 -2.643 8.282 -1.624 1.00 5.53 H new ATOM 0 HG3 GLU A 519 -2.821 8.048 -3.351 1.00 5.53 H new ATOM 1345 N GLU A 520 -5.623 12.101 -1.363 1.00 45.34 N ATOM 1346 CA GLU A 520 -6.509 13.254 -1.535 1.00 52.00 C ATOM 1347 C GLU A 520 -6.138 14.392 -0.560 1.00 60.22 C ATOM 1348 O GLU A 520 -6.412 15.564 -0.823 1.00 44.21 O ATOM 1349 CB GLU A 520 -7.967 12.822 -1.288 1.00 35.04 C ATOM 1350 CG GLU A 520 -8.357 11.493 -1.941 1.00 52.00 C ATOM 1351 CD GLU A 520 -8.402 11.546 -3.462 1.00 52.13 C ATOM 1352 OE1 GLU A 520 -7.342 11.398 -4.103 1.00 72.32 O ATOM 1353 OE2 GLU A 520 -9.507 11.720 -4.021 1.00 1.31 O ATOM 0 H GLU A 520 -6.088 11.276 -0.983 1.00 45.34 H new ATOM 0 HA GLU A 520 -6.396 13.625 -2.554 1.00 52.00 H new ATOM 0 HB2 GLU A 520 -8.133 12.746 -0.213 1.00 35.04 H new ATOM 0 HB3 GLU A 520 -8.631 13.603 -1.659 1.00 35.04 H new ATOM 0 HG2 GLU A 520 -7.646 10.726 -1.634 1.00 52.00 H new ATOM 0 HG3 GLU A 520 -9.335 11.189 -1.568 1.00 52.00 H new ATOM 1360 N ASN A 521 -5.513 14.026 0.567 1.00 31.25 N ATOM 1361 CA ASN A 521 -5.159 14.977 1.627 1.00 30.23 C ATOM 1362 C ASN A 521 -6.409 15.673 2.165 1.00 15.21 C ATOM 1363 O ASN A 521 -6.653 16.852 1.899 1.00 52.11 O ATOM 1364 CB ASN A 521 -4.124 16.000 1.142 1.00 74.10 C ATOM 1365 CG ASN A 521 -2.797 15.362 0.761 1.00 54.50 C ATOM 1366 OD1 ASN A 521 -2.450 14.259 1.394 1.00 44.33 O flip ATOM 1367 ND2 ASN A 521 -2.084 15.863 -0.103 1.00 33.30 N flip ATOM 0 H ASN A 521 -5.239 13.064 0.769 1.00 31.25 H new ATOM 0 HA ASN A 521 -4.703 14.414 2.442 1.00 30.23 H new ATOM 0 HB2 ASN A 521 -4.525 16.535 0.281 1.00 74.10 H new ATOM 0 HB3 ASN A 521 -3.955 16.738 1.926 1.00 74.10 H new ATOM 0 HD21 ASN A 521 -2.379 16.717 -0.576 1.00 33.30 H new ATOM 0 HD22 ASN A 521 -1.196 15.425 -0.348 1.00 33.30 H new ATOM 1374 N THR A 522 -7.208 14.921 2.905 1.00 63.32 N ATOM 1375 CA THR A 522 -8.503 15.409 3.390 1.00 33.04 C ATOM 1376 C THR A 522 -8.490 15.699 4.891 1.00 12.42 C ATOM 1377 O THR A 522 -9.159 16.624 5.359 1.00 41.52 O ATOM 1378 CB THR A 522 -9.628 14.389 3.096 1.00 53.44 C ATOM 1379 OG1 THR A 522 -9.357 13.139 3.756 1.00 75.11 O ATOM 1380 CG2 THR A 522 -9.771 14.151 1.598 1.00 34.21 C ATOM 0 H THR A 522 -6.987 13.966 3.187 1.00 63.32 H new ATOM 0 HA THR A 522 -8.693 16.340 2.855 1.00 33.04 H new ATOM 0 HB THR A 522 -10.562 14.804 3.476 1.00 53.44 H new ATOM 0 HG1 THR A 522 -10.029 12.477 3.491 1.00 75.11 H new ATOM 0 HG21 THR A 522 -10.569 13.430 1.419 1.00 34.21 H new ATOM 0 HG22 THR A 522 -10.013 15.091 1.102 1.00 34.21 H new ATOM 0 HG23 THR A 522 -8.834 13.762 1.200 1.00 34.21 H new ATOM 1388 N VAL A 523 -7.715 14.927 5.644 1.00 34.14 N ATOM 1389 CA VAL A 523 -7.753 14.999 7.110 1.00 11.23 C ATOM 1390 C VAL A 523 -6.368 15.279 7.725 1.00 64.21 C ATOM 1391 O VAL A 523 -5.346 14.824 7.216 1.00 33.32 O ATOM 1392 CB VAL A 523 -8.340 13.695 7.709 1.00 23.22 C ATOM 1393 CG1 VAL A 523 -7.442 12.493 7.413 1.00 5.42 C ATOM 1394 CG2 VAL A 523 -8.582 13.850 9.210 1.00 32.33 C ATOM 0 H VAL A 523 -7.054 14.245 5.271 1.00 34.14 H new ATOM 0 HA VAL A 523 -8.400 15.839 7.363 1.00 11.23 H new ATOM 0 HB VAL A 523 -9.301 13.509 7.230 1.00 23.22 H new ATOM 0 HG11 VAL A 523 -7.882 11.595 7.847 1.00 5.42 H new ATOM 0 HG12 VAL A 523 -7.347 12.366 6.335 1.00 5.42 H new ATOM 0 HG13 VAL A 523 -6.456 12.660 7.847 1.00 5.42 H new ATOM 0 HG21 VAL A 523 -8.994 12.923 9.610 1.00 32.33 H new ATOM 0 HG22 VAL A 523 -7.639 14.073 9.709 1.00 32.33 H new ATOM 0 HG23 VAL A 523 -9.286 14.664 9.383 1.00 32.33 H new ATOM 1404 N VAL A 524 -6.344 16.067 8.801 1.00 54.11 N ATOM 1405 CA VAL A 524 -5.102 16.346 9.537 1.00 23.11 C ATOM 1406 C VAL A 524 -4.797 15.216 10.540 1.00 73.42 C ATOM 1407 O VAL A 524 -5.521 15.033 11.524 1.00 72.42 O ATOM 1408 CB VAL A 524 -5.187 17.697 10.294 1.00 62.01 C ATOM 1409 CG1 VAL A 524 -3.878 18.004 11.022 1.00 51.21 C ATOM 1410 CG2 VAL A 524 -5.557 18.825 9.332 1.00 0.23 C ATOM 0 H VAL A 524 -7.170 16.526 9.186 1.00 54.11 H new ATOM 0 HA VAL A 524 -4.297 16.405 8.805 1.00 23.11 H new ATOM 0 HB VAL A 524 -5.972 17.617 11.047 1.00 62.01 H new ATOM 0 HG11 VAL A 524 -3.967 18.957 11.544 1.00 51.21 H new ATOM 0 HG12 VAL A 524 -3.669 17.214 11.743 1.00 51.21 H new ATOM 0 HG13 VAL A 524 -3.064 18.061 10.299 1.00 51.21 H new ATOM 0 HG21 VAL A 524 -5.613 19.766 9.879 1.00 0.23 H new ATOM 0 HG22 VAL A 524 -4.799 18.902 8.553 1.00 0.23 H new ATOM 0 HG23 VAL A 524 -6.524 18.612 8.877 1.00 0.23 H new ATOM 1420 N GLU A 525 -3.734 14.462 10.272 1.00 22.42 N ATOM 1421 CA GLU A 525 -3.374 13.286 11.079 1.00 30.50 C ATOM 1422 C GLU A 525 -2.254 13.589 12.092 1.00 70.45 C ATOM 1423 O GLU A 525 -1.754 14.712 12.170 1.00 45.10 O ATOM 1424 CB GLU A 525 -2.922 12.158 10.147 1.00 43.04 C ATOM 1425 CG GLU A 525 -3.963 11.769 9.104 1.00 33.44 C ATOM 1426 CD GLU A 525 -3.415 10.794 8.078 1.00 50.35 C ATOM 1427 OE1 GLU A 525 -2.746 11.248 7.128 1.00 74.45 O ATOM 1428 OE2 GLU A 525 -3.635 9.578 8.230 1.00 72.31 O ATOM 0 H GLU A 525 -3.098 14.642 9.496 1.00 22.42 H new ATOM 0 HA GLU A 525 -4.257 12.991 11.646 1.00 30.50 H new ATOM 0 HB2 GLU A 525 -2.008 12.464 9.638 1.00 43.04 H new ATOM 0 HB3 GLU A 525 -2.676 11.281 10.746 1.00 43.04 H new ATOM 0 HG2 GLU A 525 -4.824 11.323 9.602 1.00 33.44 H new ATOM 0 HG3 GLU A 525 -4.318 12.666 8.596 1.00 33.44 H new ATOM 1435 N LEU A 526 -1.859 12.568 12.860 1.00 12.34 N ATOM 1436 CA LEU A 526 -0.754 12.702 13.825 1.00 42.12 C ATOM 1437 C LEU A 526 0.613 12.583 13.137 1.00 54.21 C ATOM 1438 O LEU A 526 1.544 13.332 13.446 1.00 3.13 O ATOM 1439 CB LEU A 526 -0.867 11.625 14.917 1.00 41.30 C ATOM 1440 CG LEU A 526 -2.065 11.769 15.868 1.00 12.42 C ATOM 1441 CD1 LEU A 526 -2.117 10.600 16.847 1.00 14.21 C ATOM 1442 CD2 LEU A 526 -2.000 13.100 16.619 1.00 4.34 C ATOM 0 H LEU A 526 -2.284 11.641 12.835 1.00 12.34 H new ATOM 0 HA LEU A 526 -0.830 13.693 14.273 1.00 42.12 H new ATOM 0 HB2 LEU A 526 -0.923 10.649 14.435 1.00 41.30 H new ATOM 0 HB3 LEU A 526 0.048 11.636 15.509 1.00 41.30 H new ATOM 0 HG LEU A 526 -2.978 11.757 15.273 1.00 12.42 H new ATOM 0 HD11 LEU A 526 -2.972 10.720 17.512 1.00 14.21 H new ATOM 0 HD12 LEU A 526 -2.216 9.666 16.294 1.00 14.21 H new ATOM 0 HD13 LEU A 526 -1.200 10.577 17.436 1.00 14.21 H new ATOM 0 HD21 LEU A 526 -2.857 13.183 17.287 1.00 4.34 H new ATOM 0 HD22 LEU A 526 -1.080 13.144 17.202 1.00 4.34 H new ATOM 0 HD23 LEU A 526 -2.017 13.922 15.904 1.00 4.34 H new ATOM 1454 N ASN A 527 0.729 11.649 12.196 1.00 4.12 N ATOM 1455 CA ASN A 527 1.978 11.449 11.456 1.00 4.51 C ATOM 1456 C ASN A 527 1.720 11.405 9.941 1.00 20.23 C ATOM 1457 O ASN A 527 1.346 10.372 9.390 1.00 52.54 O ATOM 1458 CB ASN A 527 2.661 10.158 11.925 1.00 5.21 C ATOM 1459 CG ASN A 527 4.076 9.994 11.389 1.00 2.33 C ATOM 1460 OD1 ASN A 527 4.432 10.531 10.344 1.00 53.44 O ATOM 1461 ND2 ASN A 527 4.888 9.224 12.084 1.00 2.51 N ATOM 0 H ASN A 527 -0.025 11.018 11.926 1.00 4.12 H new ATOM 0 HA ASN A 527 2.639 12.292 11.657 1.00 4.51 H new ATOM 0 HB2 ASN A 527 2.689 10.146 13.015 1.00 5.21 H new ATOM 0 HB3 ASN A 527 2.061 9.304 11.612 1.00 5.21 H new ATOM 0 HD21 ASN A 527 5.840 9.061 11.757 1.00 2.51 H new ATOM 0 HD22 ASN A 527 4.564 8.791 12.949 1.00 2.51 H new ATOM 1468 N GLU A 528 1.944 12.531 9.269 1.00 71.14 N ATOM 1469 CA GLU A 528 1.719 12.633 7.821 1.00 12.41 C ATOM 1470 C GLU A 528 2.935 12.127 7.024 1.00 13.30 C ATOM 1471 O GLU A 528 3.031 12.322 5.809 1.00 32.41 O ATOM 1472 CB GLU A 528 1.389 14.083 7.444 1.00 4.42 C ATOM 1473 CG GLU A 528 2.446 15.089 7.879 1.00 40.31 C ATOM 1474 CD GLU A 528 2.060 16.522 7.557 1.00 53.23 C ATOM 1475 OE1 GLU A 528 1.302 17.127 8.338 1.00 10.34 O ATOM 1476 OE2 GLU A 528 2.512 17.052 6.522 1.00 34.31 O ATOM 0 H GLU A 528 2.282 13.391 9.701 1.00 71.14 H new ATOM 0 HA GLU A 528 0.872 11.997 7.562 1.00 12.41 H new ATOM 0 HB2 GLU A 528 1.263 14.147 6.363 1.00 4.42 H new ATOM 0 HB3 GLU A 528 0.434 14.357 7.893 1.00 4.42 H new ATOM 0 HG2 GLU A 528 2.612 14.994 8.952 1.00 40.31 H new ATOM 0 HG3 GLU A 528 3.390 14.853 7.388 1.00 40.31 H new ATOM 1483 N ASN A 529 3.877 11.499 7.724 1.00 24.24 N ATOM 1484 CA ASN A 529 5.007 10.808 7.089 1.00 64.31 C ATOM 1485 C ASN A 529 4.835 9.281 7.217 1.00 64.11 C ATOM 1486 O ASN A 529 5.658 8.498 6.737 1.00 52.01 O ATOM 1487 CB ASN A 529 6.321 11.260 7.744 1.00 44.40 C ATOM 1488 CG ASN A 529 7.565 10.748 7.036 1.00 73.42 C ATOM 1489 OD1 ASN A 529 7.500 10.607 5.728 1.00 14.11 O flip ATOM 1490 ND2 ASN A 529 8.589 10.497 7.664 1.00 20.33 N flip ATOM 0 H ASN A 529 3.883 11.452 8.743 1.00 24.24 H new ATOM 0 HA ASN A 529 5.036 11.062 6.029 1.00 64.31 H new ATOM 0 HB2 ASN A 529 6.349 12.349 7.767 1.00 44.40 H new ATOM 0 HB3 ASN A 529 6.337 10.919 8.779 1.00 44.40 H new ATOM 0 HD21 ASN A 529 8.608 10.616 8.677 1.00 20.33 H new ATOM 0 HD22 ASN A 529 9.421 10.169 7.173 1.00 20.33 H new ATOM 1497 N ASN A 530 3.735 8.872 7.841 1.00 23.40 N ATOM 1498 CA ASN A 530 3.466 7.460 8.145 1.00 22.14 C ATOM 1499 C ASN A 530 2.580 6.804 7.060 1.00 61.54 C ATOM 1500 O ASN A 530 2.286 5.609 7.119 1.00 74.13 O ATOM 1501 CB ASN A 530 2.780 7.391 9.518 1.00 12.34 C ATOM 1502 CG ASN A 530 2.672 5.991 10.087 1.00 15.43 C ATOM 1503 OD1 ASN A 530 3.476 5.113 9.787 1.00 4.32 O ATOM 1504 ND2 ASN A 530 1.692 5.774 10.940 1.00 15.04 N ATOM 0 H ASN A 530 3.000 9.507 8.153 1.00 23.40 H new ATOM 0 HA ASN A 530 4.405 6.907 8.162 1.00 22.14 H new ATOM 0 HB2 ASN A 530 3.333 8.015 10.220 1.00 12.34 H new ATOM 0 HB3 ASN A 530 1.780 7.815 9.434 1.00 12.34 H new ATOM 0 HD21 ASN A 530 1.585 4.856 11.371 1.00 15.04 H new ATOM 0 HD22 ASN A 530 1.040 6.524 11.169 1.00 15.04 H new ATOM 1511 N ASN A 531 2.191 7.592 6.056 1.00 3.02 N ATOM 1512 CA ASN A 531 1.197 7.165 5.057 1.00 70.32 C ATOM 1513 C ASN A 531 1.794 6.297 3.930 1.00 53.41 C ATOM 1514 O ASN A 531 1.060 5.597 3.230 1.00 35.22 O ATOM 1515 CB ASN A 531 0.532 8.403 4.443 1.00 12.22 C ATOM 1516 CG ASN A 531 0.109 9.407 5.499 1.00 54.41 C ATOM 1517 OD1 ASN A 531 0.879 10.284 5.865 1.00 74.42 O ATOM 1518 ND2 ASN A 531 -1.100 9.282 6.003 1.00 74.33 N ATOM 0 H ASN A 531 2.549 8.536 5.909 1.00 3.02 H new ATOM 0 HA ASN A 531 0.469 6.546 5.581 1.00 70.32 H new ATOM 0 HB2 ASN A 531 1.224 8.879 3.748 1.00 12.22 H new ATOM 0 HB3 ASN A 531 -0.340 8.096 3.865 1.00 12.22 H new ATOM 0 HD21 ASN A 531 -1.422 9.929 6.723 1.00 74.33 H new ATOM 0 HD22 ASN A 531 -1.715 8.538 5.674 1.00 74.33 H new ATOM 1525 N VAL A 532 3.112 6.351 3.742 1.00 70.41 N ATOM 1526 CA VAL A 532 3.763 5.651 2.619 1.00 2.14 C ATOM 1527 C VAL A 532 4.657 4.488 3.092 1.00 63.10 C ATOM 1528 O VAL A 532 5.355 4.602 4.101 1.00 53.40 O ATOM 1529 CB VAL A 532 4.619 6.630 1.774 1.00 34.03 C ATOM 1530 CG1 VAL A 532 5.194 5.931 0.542 1.00 74.54 C ATOM 1531 CG2 VAL A 532 3.801 7.856 1.372 1.00 14.35 C ATOM 0 H VAL A 532 3.753 6.867 4.345 1.00 70.41 H new ATOM 0 HA VAL A 532 2.958 5.241 2.009 1.00 2.14 H new ATOM 0 HB VAL A 532 5.454 6.966 2.389 1.00 34.03 H new ATOM 0 HG11 VAL A 532 5.790 6.639 -0.033 1.00 74.54 H new ATOM 0 HG12 VAL A 532 5.823 5.099 0.857 1.00 74.54 H new ATOM 0 HG13 VAL A 532 4.379 5.556 -0.077 1.00 74.54 H new ATOM 0 HG21 VAL A 532 4.421 8.529 0.780 1.00 14.35 H new ATOM 0 HG22 VAL A 532 2.941 7.542 0.781 1.00 14.35 H new ATOM 0 HG23 VAL A 532 3.457 8.373 2.268 1.00 14.35 H new ATOM 1541 N ALA A 533 4.643 3.381 2.345 1.00 64.21 N ATOM 1542 CA ALA A 533 5.476 2.208 2.659 1.00 42.42 C ATOM 1543 C ALA A 533 6.213 1.692 1.412 1.00 35.20 C ATOM 1544 O ALA A 533 5.621 1.576 0.339 1.00 23.21 O ATOM 1545 CB ALA A 533 4.621 1.099 3.264 1.00 12.22 C ATOM 0 H ALA A 533 4.062 3.269 1.514 1.00 64.21 H new ATOM 0 HA ALA A 533 6.226 2.517 3.387 1.00 42.42 H new ATOM 0 HB1 ALA A 533 5.250 0.238 3.491 1.00 12.22 H new ATOM 0 HB2 ALA A 533 4.153 1.459 4.180 1.00 12.22 H new ATOM 0 HB3 ALA A 533 3.848 0.807 2.553 1.00 12.22 H new ATOM 1551 N THR A 534 7.502 1.379 1.567 1.00 41.23 N ATOM 1552 CA THR A 534 8.350 0.924 0.447 1.00 70.43 C ATOM 1553 C THR A 534 8.657 -0.581 0.516 1.00 13.53 C ATOM 1554 O THR A 534 8.989 -1.113 1.577 1.00 72.32 O ATOM 1555 CB THR A 534 9.699 1.698 0.414 1.00 55.42 C ATOM 1556 OG1 THR A 534 9.480 3.077 0.075 1.00 3.41 O ATOM 1557 CG2 THR A 534 10.678 1.084 -0.586 1.00 51.23 C ATOM 0 H THR A 534 7.990 1.431 2.461 1.00 41.23 H new ATOM 0 HA THR A 534 7.779 1.125 -0.460 1.00 70.43 H new ATOM 0 HB THR A 534 10.134 1.629 1.411 1.00 55.42 H new ATOM 0 HG1 THR A 534 10.338 3.550 0.060 1.00 3.41 H new ATOM 0 HG21 THR A 534 11.608 1.652 -0.580 1.00 51.23 H new ATOM 0 HG22 THR A 534 10.882 0.050 -0.307 1.00 51.23 H new ATOM 0 HG23 THR A 534 10.243 1.111 -1.585 1.00 51.23 H new ATOM 1565 N PHE A 535 8.536 -1.259 -0.626 1.00 21.40 N ATOM 1566 CA PHE A 535 8.954 -2.663 -0.759 1.00 4.55 C ATOM 1567 C PHE A 535 9.569 -2.908 -2.152 1.00 61.02 C ATOM 1568 O PHE A 535 8.894 -2.756 -3.170 1.00 22.23 O ATOM 1569 CB PHE A 535 7.752 -3.596 -0.530 1.00 63.12 C ATOM 1570 CG PHE A 535 8.106 -5.065 -0.467 1.00 24.13 C ATOM 1571 CD1 PHE A 535 8.460 -5.657 0.739 1.00 2.21 C ATOM 1572 CD2 PHE A 535 8.083 -5.855 -1.609 1.00 22.33 C ATOM 1573 CE1 PHE A 535 8.781 -6.999 0.802 1.00 73.42 C ATOM 1574 CE2 PHE A 535 8.405 -7.196 -1.548 1.00 62.40 C ATOM 1575 CZ PHE A 535 8.753 -7.769 -0.342 1.00 55.11 C ATOM 0 H PHE A 535 8.149 -0.858 -1.481 1.00 21.40 H new ATOM 0 HA PHE A 535 9.711 -2.878 -0.005 1.00 4.55 H new ATOM 0 HB2 PHE A 535 7.260 -3.313 0.400 1.00 63.12 H new ATOM 0 HB3 PHE A 535 7.030 -3.443 -1.332 1.00 63.12 H new ATOM 0 HD1 PHE A 535 8.485 -5.060 1.639 1.00 2.21 H new ATOM 0 HD2 PHE A 535 7.810 -5.415 -2.557 1.00 22.33 H new ATOM 0 HE1 PHE A 535 9.054 -7.445 1.747 1.00 73.42 H new ATOM 0 HE2 PHE A 535 8.385 -7.797 -2.445 1.00 62.40 H new ATOM 0 HZ PHE A 535 9.003 -8.819 -0.294 1.00 55.11 H new ATOM 1585 N ASP A 536 10.849 -3.283 -2.201 1.00 0.20 N ATOM 1586 CA ASP A 536 11.543 -3.481 -3.483 1.00 14.41 C ATOM 1587 C ASP A 536 11.507 -4.954 -3.943 1.00 55.42 C ATOM 1588 O ASP A 536 11.688 -5.878 -3.146 1.00 61.35 O ATOM 1589 CB ASP A 536 12.990 -2.967 -3.398 1.00 62.34 C ATOM 1590 CG ASP A 536 13.831 -3.703 -2.366 1.00 2.02 C ATOM 1591 OD1 ASP A 536 13.738 -3.369 -1.168 1.00 70.33 O ATOM 1592 OD2 ASP A 536 14.604 -4.607 -2.754 1.00 42.52 O ATOM 0 H ASP A 536 11.425 -3.455 -1.377 1.00 0.20 H new ATOM 0 HA ASP A 536 11.009 -2.900 -4.235 1.00 14.41 H new ATOM 0 HB2 ASP A 536 13.461 -3.064 -4.376 1.00 62.34 H new ATOM 0 HB3 ASP A 536 12.977 -1.905 -3.155 1.00 62.34 H new ATOM 1597 N VAL A 537 11.259 -5.155 -5.237 1.00 54.54 N ATOM 1598 CA VAL A 537 11.169 -6.496 -5.834 1.00 2.33 C ATOM 1599 C VAL A 537 12.116 -6.642 -7.042 1.00 44.05 C ATOM 1600 O VAL A 537 12.128 -5.802 -7.946 1.00 63.41 O ATOM 1601 CB VAL A 537 9.721 -6.804 -6.297 1.00 12.23 C ATOM 1602 CG1 VAL A 537 9.615 -8.222 -6.860 1.00 24.30 C ATOM 1603 CG2 VAL A 537 8.727 -6.595 -5.156 1.00 23.31 C ATOM 0 H VAL A 537 11.114 -4.397 -5.904 1.00 54.54 H new ATOM 0 HA VAL A 537 11.465 -7.204 -5.060 1.00 2.33 H new ATOM 0 HB VAL A 537 9.469 -6.106 -7.096 1.00 12.23 H new ATOM 0 HG11 VAL A 537 8.590 -8.412 -7.177 1.00 24.30 H new ATOM 0 HG12 VAL A 537 10.284 -8.325 -7.714 1.00 24.30 H new ATOM 0 HG13 VAL A 537 9.896 -8.941 -6.090 1.00 24.30 H new ATOM 0 HG21 VAL A 537 7.719 -6.817 -5.506 1.00 23.31 H new ATOM 0 HG22 VAL A 537 8.978 -7.258 -4.328 1.00 23.31 H new ATOM 0 HG23 VAL A 537 8.773 -5.560 -4.818 1.00 23.31 H new ATOM 1613 N SER A 538 12.900 -7.720 -7.057 1.00 60.53 N ATOM 1614 CA SER A 538 13.837 -7.990 -8.162 1.00 15.03 C ATOM 1615 C SER A 538 13.231 -8.966 -9.184 1.00 70.33 C ATOM 1616 O SER A 538 12.913 -10.110 -8.851 1.00 52.34 O ATOM 1617 CB SER A 538 15.153 -8.565 -7.618 1.00 23.25 C ATOM 1618 OG SER A 538 16.057 -8.895 -8.665 1.00 4.23 O ATOM 0 H SER A 538 12.909 -8.424 -6.319 1.00 60.53 H new ATOM 0 HA SER A 538 14.035 -7.044 -8.665 1.00 15.03 H new ATOM 0 HB2 SER A 538 15.619 -7.840 -6.951 1.00 23.25 H new ATOM 0 HB3 SER A 538 14.943 -9.455 -7.025 1.00 23.25 H new ATOM 0 HG SER A 538 16.883 -9.256 -8.282 1.00 4.23 H new ATOM 1624 N VAL A 539 13.062 -8.506 -10.426 1.00 10.34 N ATOM 1625 CA VAL A 539 12.531 -9.352 -11.504 1.00 10.02 C ATOM 1626 C VAL A 539 13.643 -9.764 -12.482 1.00 12.21 C ATOM 1627 O VAL A 539 14.285 -8.915 -13.107 1.00 73.31 O ATOM 1628 CB VAL A 539 11.405 -8.631 -12.286 1.00 14.42 C ATOM 1629 CG1 VAL A 539 10.836 -9.533 -13.382 1.00 31.23 C ATOM 1630 CG2 VAL A 539 10.305 -8.166 -11.332 1.00 4.43 C ATOM 0 H VAL A 539 13.284 -7.553 -10.713 1.00 10.34 H new ATOM 0 HA VAL A 539 12.118 -10.244 -11.034 1.00 10.02 H new ATOM 0 HB VAL A 539 11.832 -7.752 -12.769 1.00 14.42 H new ATOM 0 HG11 VAL A 539 10.047 -9.003 -13.916 1.00 31.23 H new ATOM 0 HG12 VAL A 539 11.629 -9.802 -14.080 1.00 31.23 H new ATOM 0 HG13 VAL A 539 10.426 -10.437 -12.932 1.00 31.23 H new ATOM 0 HG21 VAL A 539 9.522 -7.661 -11.898 1.00 4.43 H new ATOM 0 HG22 VAL A 539 9.882 -9.028 -10.816 1.00 4.43 H new ATOM 0 HG23 VAL A 539 10.726 -7.476 -10.600 1.00 4.43 H new ATOM 1640 N VAL A 540 13.855 -11.071 -12.620 1.00 44.32 N ATOM 1641 CA VAL A 540 14.942 -11.602 -13.459 1.00 72.54 C ATOM 1642 C VAL A 540 14.436 -12.608 -14.514 1.00 42.41 C ATOM 1643 O VAL A 540 13.301 -13.087 -14.442 1.00 44.21 O ATOM 1644 CB VAL A 540 16.021 -12.285 -12.584 1.00 60.53 C ATOM 1645 CG1 VAL A 540 16.769 -11.254 -11.739 1.00 44.44 C ATOM 1646 CG2 VAL A 540 15.389 -13.358 -11.695 1.00 24.12 C ATOM 0 H VAL A 540 13.291 -11.788 -12.163 1.00 44.32 H new ATOM 0 HA VAL A 540 15.372 -10.749 -13.985 1.00 72.54 H new ATOM 0 HB VAL A 540 16.742 -12.766 -13.245 1.00 60.53 H new ATOM 0 HG11 VAL A 540 17.522 -11.758 -11.133 1.00 44.44 H new ATOM 0 HG12 VAL A 540 17.255 -10.530 -12.394 1.00 44.44 H new ATOM 0 HG13 VAL A 540 16.064 -10.738 -11.087 1.00 44.44 H new ATOM 0 HG21 VAL A 540 16.162 -13.828 -11.087 1.00 24.12 H new ATOM 0 HG22 VAL A 540 14.644 -12.899 -11.045 1.00 24.12 H new ATOM 0 HG23 VAL A 540 14.910 -14.112 -12.320 1.00 24.12 H new ATOM 1656 N LEU A 541 15.295 -12.925 -15.489 1.00 63.22 N ATOM 1657 CA LEU A 541 14.950 -13.870 -16.567 1.00 72.34 C ATOM 1658 C LEU A 541 15.169 -15.337 -16.147 1.00 20.05 C ATOM 1659 O LEU A 541 14.742 -16.261 -16.847 1.00 1.21 O ATOM 1660 CB LEU A 541 15.780 -13.566 -17.827 1.00 14.23 C ATOM 1661 CG LEU A 541 15.518 -12.197 -18.480 1.00 62.21 C ATOM 1662 CD1 LEU A 541 16.471 -11.962 -19.652 1.00 25.13 C ATOM 1663 CD2 LEU A 541 14.063 -12.086 -18.936 1.00 5.41 C ATOM 0 H LEU A 541 16.238 -12.542 -15.557 1.00 63.22 H new ATOM 0 HA LEU A 541 13.889 -13.739 -16.781 1.00 72.34 H new ATOM 0 HB2 LEU A 541 16.837 -13.629 -17.568 1.00 14.23 H new ATOM 0 HB3 LEU A 541 15.586 -14.344 -18.565 1.00 14.23 H new ATOM 0 HG LEU A 541 15.702 -11.424 -17.734 1.00 62.21 H new ATOM 0 HD11 LEU A 541 16.267 -10.988 -20.097 1.00 25.13 H new ATOM 0 HD12 LEU A 541 17.500 -11.989 -19.295 1.00 25.13 H new ATOM 0 HD13 LEU A 541 16.326 -12.741 -20.401 1.00 25.13 H new ATOM 0 HD21 LEU A 541 13.899 -11.111 -19.395 1.00 5.41 H new ATOM 0 HD22 LEU A 541 13.849 -12.870 -19.663 1.00 5.41 H new ATOM 0 HD23 LEU A 541 13.403 -12.198 -18.076 1.00 5.41 H new ATOM 1675 N GLU A 542 15.855 -15.544 -15.020 1.00 11.20 N ATOM 1676 CA GLU A 542 16.108 -16.901 -14.497 1.00 55.12 C ATOM 1677 C GLU A 542 14.945 -17.424 -13.617 1.00 13.10 C ATOM 1678 O GLU A 542 14.753 -16.916 -12.489 1.00 37.23 O ATOM 1679 CB GLU A 542 17.442 -16.957 -13.725 1.00 33.45 C ATOM 1680 CG GLU A 542 17.615 -15.875 -12.662 1.00 53.23 C ATOM 1681 CD GLU A 542 18.805 -16.129 -11.749 1.00 4.43 C ATOM 1682 OE1 GLU A 542 19.958 -15.926 -12.193 1.00 50.32 O ATOM 1683 OE2 GLU A 542 18.595 -16.543 -10.590 1.00 51.23 O ATOM 0 H GLU A 542 16.247 -14.795 -14.449 1.00 11.20 H new ATOM 0 HA GLU A 542 16.177 -17.561 -15.362 1.00 55.12 H new ATOM 0 HB2 GLU A 542 17.528 -17.933 -13.247 1.00 33.45 H new ATOM 0 HB3 GLU A 542 18.262 -16.879 -14.439 1.00 33.45 H new ATOM 0 HG2 GLU A 542 17.738 -14.909 -13.151 1.00 53.23 H new ATOM 0 HG3 GLU A 542 16.708 -15.815 -12.061 1.00 53.23 H new TER 1690 GLU A 542