USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=28 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 527 ASN : amide:sc= -0.618 K(o=-0.62,f=-3.7!) USER MOD Set 1.2: A 529 ASN : amide:sc= 0 X(o=-0.62,f=-0.62) USER MOD Set 2.1: A 514 ASN :FLIP amide:sc= -1.62! F(o=-1.6,f=-0.42!) USER MOD Set 2.2: A 534 THR OG1 : rot -60:sc= 1.2 USER MOD Set 3.1: A 474 LYS NZ :NH3+ -108:sc= 1.12 (180deg=-0.66) USER MOD Set 3.2: A 488 THR OG1 : rot 140:sc= 0.72 USER MOD Set 4.1: A 472 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 522 THR OG1 : rot -56:sc= 0.0259 USER MOD Set 5.1: A 441 THR OG1 : rot 116:sc= 0.317 USER MOD Set 5.2: A 530 ASN : amide:sc= -3.11! C(o=-2.8!,f=-3.2!) USER MOD Single : A 435 MET CE :methyl -114:sc= -0.222 (180deg=-2.89!) USER MOD Single : A 445 LYS NZ :NH3+ 173:sc=-0.00318 (180deg=-0.0692) USER MOD Single : A 453 ASN : amide:sc= -1.56! C(o=-1.6!,f=-4.4!) USER MOD Single : A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 TYR OH : rot -144:sc= 0.57 USER MOD Single : A 461 HIS : +bothHN:sc= 1.37 K(o=1.4,f=-4.8!) USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 ASN : amide:sc= 0.236 K(o=0.24,f=-9!) USER MOD Single : A 473 THR OG1 : rot 99:sc= 0.135 USER MOD Single : A 478 TYR OH : rot 24:sc= 1.02 USER MOD Single : A 480 ASN : amide:sc= 0.592 K(o=0.59,f=-8.9!) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 TYR OH : rot 166:sc= -0.599 USER MOD Single : A 485 LYS NZ :NH3+ 169:sc=-0.00963 (180deg=-0.151) USER MOD Single : A 486 ASN : amide:sc= -0.266 K(o=-0.27,f=-1.2) USER MOD Single : A 490 SER OG : rot 180:sc= 0 USER MOD Single : A 494 LYS NZ :NH3+ 172:sc=-0.00983 (180deg=-0.0985) 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 35:sc= 0.652 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 X(o=0,f=-0.39) USER MOD Single : A 510 MET CE :methyl 157:sc= 0 (180deg=-0.44) USER MOD Single : A 511 TYR OH : rot -133:sc= 0.581 USER MOD Single : A 516 THR OG1 : rot -90:sc= 0 USER MOD Single : A 521 ASN :FLIP amide:sc= -0.26 F(o=-1.6!,f=-0.26) USER MOD Single : A 531 ASN :FLIP amide:sc= 0.0291 F(o=-1.5,f=0.029) USER MOD Single : A 538 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 435 -9.792 15.950 21.691 1.00 25.12 N ATOM 2 CA MET A 435 -9.160 16.438 20.438 1.00 10.32 C ATOM 3 C MET A 435 -8.312 15.325 19.815 1.00 50.22 C ATOM 4 O MET A 435 -7.095 15.274 19.992 1.00 25.51 O ATOM 5 CB MET A 435 -8.309 17.685 20.729 1.00 64.41 C ATOM 6 CG MET A 435 -7.905 18.477 19.494 1.00 31.05 C ATOM 7 SD MET A 435 -6.978 19.965 19.918 1.00 1.15 S ATOM 8 CE MET A 435 -6.769 20.721 18.309 1.00 23.41 C ATOM 0 HA MET A 435 -9.936 16.716 19.725 1.00 10.32 H new ATOM 0 HB2 MET A 435 -8.865 18.340 21.399 1.00 64.41 H new ATOM 0 HB3 MET A 435 -7.407 17.378 21.259 1.00 64.41 H new ATOM 0 HG2 MET A 435 -7.301 17.847 18.841 1.00 31.05 H new ATOM 0 HG3 MET A 435 -8.798 18.754 18.933 1.00 31.05 H new ATOM 0 HE1 MET A 435 -5.712 20.722 18.042 1.00 23.41 H new ATOM 0 HE2 MET A 435 -7.330 20.155 17.565 1.00 23.41 H new ATOM 0 HE3 MET A 435 -7.137 21.747 18.338 1.00 23.41 H new ATOM 20 N GLU A 436 -8.976 14.417 19.105 1.00 31.35 N ATOM 21 CA GLU A 436 -8.338 13.195 18.600 1.00 33.31 C ATOM 22 C GLU A 436 -8.063 13.277 17.094 1.00 74.35 C ATOM 23 O GLU A 436 -8.944 13.627 16.307 1.00 30.24 O ATOM 24 CB GLU A 436 -9.227 11.972 18.897 1.00 0.42 C ATOM 25 CG GLU A 436 -9.416 11.660 20.387 1.00 51.44 C ATOM 26 CD GLU A 436 -10.079 12.788 21.173 1.00 42.42 C ATOM 27 OE1 GLU A 436 -11.131 13.295 20.733 1.00 44.12 O ATOM 28 OE2 GLU A 436 -9.554 13.172 22.241 1.00 1.54 O ATOM 0 H GLU A 436 -9.963 14.502 18.863 1.00 31.35 H new ATOM 0 HA GLU A 436 -7.382 13.089 19.112 1.00 33.31 H new ATOM 0 HB2 GLU A 436 -10.206 12.135 18.447 1.00 0.42 H new ATOM 0 HB3 GLU A 436 -8.794 11.099 18.410 1.00 0.42 H new ATOM 0 HG2 GLU A 436 -10.019 10.757 20.486 1.00 51.44 H new ATOM 0 HG3 GLU A 436 -8.444 11.444 20.830 1.00 51.44 H new ATOM 35 N PHE A 437 -6.837 12.938 16.699 1.00 33.24 N ATOM 36 CA PHE A 437 -6.444 12.923 15.285 1.00 32.43 C ATOM 37 C PHE A 437 -6.137 11.489 14.828 1.00 51.42 C ATOM 38 O PHE A 437 -5.539 10.711 15.571 1.00 73.31 O ATOM 39 CB PHE A 437 -5.210 13.809 15.065 1.00 12.21 C ATOM 40 CG PHE A 437 -5.366 15.209 15.600 1.00 34.21 C ATOM 41 CD1 PHE A 437 -5.891 16.219 14.806 1.00 74.22 C ATOM 42 CD2 PHE A 437 -4.991 15.510 16.902 1.00 53.34 C ATOM 43 CE1 PHE A 437 -6.039 17.500 15.303 1.00 41.30 C ATOM 44 CE2 PHE A 437 -5.136 16.789 17.400 1.00 42.33 C ATOM 45 CZ PHE A 437 -5.660 17.784 16.601 1.00 34.12 C ATOM 0 H PHE A 437 -6.092 12.668 17.341 1.00 33.24 H new ATOM 0 HA PHE A 437 -7.274 13.313 14.696 1.00 32.43 H new ATOM 0 HB2 PHE A 437 -4.348 13.341 15.542 1.00 12.21 H new ATOM 0 HB3 PHE A 437 -4.996 13.859 13.997 1.00 12.21 H new ATOM 0 HD1 PHE A 437 -6.187 16.002 13.790 1.00 74.22 H new ATOM 0 HD2 PHE A 437 -4.581 14.735 17.532 1.00 53.34 H new ATOM 0 HE1 PHE A 437 -6.450 18.278 14.677 1.00 41.30 H new ATOM 0 HE2 PHE A 437 -4.839 17.011 18.415 1.00 42.33 H new ATOM 0 HZ PHE A 437 -5.774 18.785 16.990 1.00 34.12 H new ATOM 55 N PRO A 438 -6.548 11.111 13.603 1.00 63.01 N ATOM 56 CA PRO A 438 -6.278 9.770 13.065 1.00 62.31 C ATOM 57 C PRO A 438 -4.806 9.561 12.673 1.00 74.31 C ATOM 58 O PRO A 438 -3.996 10.487 12.710 1.00 1.45 O ATOM 59 CB PRO A 438 -7.190 9.691 11.833 1.00 54.55 C ATOM 60 CG PRO A 438 -7.366 11.107 11.402 1.00 12.44 C ATOM 61 CD PRO A 438 -7.309 11.947 12.654 1.00 3.23 C ATOM 0 HA PRO A 438 -6.470 8.994 13.806 1.00 62.31 H new ATOM 0 HB2 PRO A 438 -6.738 9.090 11.044 1.00 54.55 H new ATOM 0 HB3 PRO A 438 -8.147 9.229 12.077 1.00 54.55 H new ATOM 0 HG2 PRO A 438 -6.583 11.400 10.703 1.00 12.44 H new ATOM 0 HG3 PRO A 438 -8.318 11.241 10.888 1.00 12.44 H new ATOM 0 HD2 PRO A 438 -6.813 12.901 12.474 1.00 3.23 H new ATOM 0 HD3 PRO A 438 -8.307 12.173 13.030 1.00 3.23 H new ATOM 69 N ASP A 439 -4.472 8.328 12.310 1.00 63.04 N ATOM 70 CA ASP A 439 -3.111 7.975 11.898 1.00 23.14 C ATOM 71 C ASP A 439 -3.157 6.769 10.948 1.00 11.43 C ATOM 72 O ASP A 439 -3.107 5.616 11.381 1.00 21.40 O ATOM 73 CB ASP A 439 -2.251 7.677 13.142 1.00 30.21 C ATOM 74 CG ASP A 439 -0.796 7.378 12.816 1.00 31.33 C ATOM 75 OD1 ASP A 439 -0.119 8.249 12.235 1.00 23.43 O ATOM 76 OD2 ASP A 439 -0.318 6.273 13.153 1.00 33.52 O ATOM 0 H ASP A 439 -5.128 7.547 12.292 1.00 63.04 H new ATOM 0 HA ASP A 439 -2.657 8.811 11.366 1.00 23.14 H new ATOM 0 HB2 ASP A 439 -2.296 8.531 13.818 1.00 30.21 H new ATOM 0 HB3 ASP A 439 -2.678 6.827 13.674 1.00 30.21 H new ATOM 81 N LEU A 440 -3.307 7.043 9.656 1.00 35.31 N ATOM 82 CA LEU A 440 -3.467 5.985 8.653 1.00 21.24 C ATOM 83 C LEU A 440 -2.111 5.515 8.108 1.00 2.53 C ATOM 84 O LEU A 440 -1.420 6.254 7.408 1.00 3.02 O ATOM 85 CB LEU A 440 -4.352 6.485 7.501 1.00 0.31 C ATOM 86 CG LEU A 440 -5.765 6.940 7.907 1.00 31.31 C ATOM 87 CD1 LEU A 440 -6.477 7.603 6.728 1.00 75.24 C ATOM 88 CD2 LEU A 440 -6.582 5.766 8.443 1.00 63.52 C ATOM 0 H LEU A 440 -3.322 7.989 9.274 1.00 35.31 H new ATOM 0 HA LEU A 440 -3.946 5.134 9.137 1.00 21.24 H new ATOM 0 HB2 LEU A 440 -3.847 7.318 7.012 1.00 0.31 H new ATOM 0 HB3 LEU A 440 -4.443 5.689 6.762 1.00 0.31 H new ATOM 0 HG LEU A 440 -5.669 7.676 8.705 1.00 31.31 H new ATOM 0 HD11 LEU A 440 -7.474 7.918 7.035 1.00 75.24 H new ATOM 0 HD12 LEU A 440 -5.907 8.473 6.401 1.00 75.24 H new ATOM 0 HD13 LEU A 440 -6.558 6.892 5.906 1.00 75.24 H new ATOM 0 HD21 LEU A 440 -7.577 6.113 8.723 1.00 63.52 H new ATOM 0 HD22 LEU A 440 -6.668 5.001 7.672 1.00 63.52 H new ATOM 0 HD23 LEU A 440 -6.085 5.346 9.317 1.00 63.52 H new ATOM 100 N THR A 441 -1.737 4.280 8.426 1.00 5.44 N ATOM 101 CA THR A 441 -0.472 3.711 7.941 1.00 2.53 C ATOM 102 C THR A 441 -0.702 2.441 7.116 1.00 43.24 C ATOM 103 O THR A 441 -1.743 1.787 7.230 1.00 42.40 O ATOM 104 CB THR A 441 0.495 3.389 9.102 1.00 62.34 C ATOM 105 OG1 THR A 441 1.745 2.908 8.588 1.00 54.43 O ATOM 106 CG2 THR A 441 -0.098 2.357 10.055 1.00 21.44 C ATOM 0 H THR A 441 -2.285 3.652 9.014 1.00 5.44 H new ATOM 0 HA THR A 441 -0.021 4.473 7.305 1.00 2.53 H new ATOM 0 HB THR A 441 0.660 4.312 9.659 1.00 62.34 H new ATOM 0 HG1 THR A 441 2.458 3.539 8.819 1.00 54.43 H new ATOM 0 HG21 THR A 441 0.610 2.155 10.859 1.00 21.44 H new ATOM 0 HG22 THR A 441 -1.026 2.742 10.477 1.00 21.44 H new ATOM 0 HG23 THR A 441 -0.302 1.435 9.511 1.00 21.44 H new ATOM 114 N VAL A 442 0.281 2.096 6.287 1.00 30.53 N ATOM 115 CA VAL A 442 0.186 0.930 5.404 1.00 33.21 C ATOM 116 C VAL A 442 1.473 0.089 5.439 1.00 34.51 C ATOM 117 O VAL A 442 2.568 0.615 5.630 1.00 11.50 O ATOM 118 CB VAL A 442 -0.102 1.352 3.937 1.00 20.22 C ATOM 119 CG1 VAL A 442 -1.441 2.079 3.828 1.00 20.30 C ATOM 120 CG2 VAL A 442 1.026 2.225 3.390 1.00 30.05 C ATOM 0 H VAL A 442 1.159 2.609 6.207 1.00 30.53 H new ATOM 0 HA VAL A 442 -0.644 0.327 5.774 1.00 33.21 H new ATOM 0 HB VAL A 442 -0.157 0.445 3.335 1.00 20.22 H new ATOM 0 HG11 VAL A 442 -1.617 2.363 2.791 1.00 20.30 H new ATOM 0 HG12 VAL A 442 -2.241 1.420 4.165 1.00 20.30 H new ATOM 0 HG13 VAL A 442 -1.421 2.973 4.451 1.00 20.30 H new ATOM 0 HG21 VAL A 442 0.801 2.508 2.362 1.00 30.05 H new ATOM 0 HG22 VAL A 442 1.120 3.123 4.001 1.00 30.05 H new ATOM 0 HG23 VAL A 442 1.963 1.668 3.417 1.00 30.05 H new ATOM 130 N GLU A 443 1.331 -1.221 5.253 1.00 2.52 N ATOM 131 CA GLU A 443 2.482 -2.136 5.206 1.00 11.31 C ATOM 132 C GLU A 443 2.480 -2.966 3.917 1.00 62.42 C ATOM 133 O GLU A 443 1.439 -3.478 3.505 1.00 72.21 O ATOM 134 CB GLU A 443 2.459 -3.094 6.405 1.00 42.13 C ATOM 135 CG GLU A 443 2.591 -2.425 7.766 1.00 65.33 C ATOM 136 CD GLU A 443 2.468 -3.426 8.905 1.00 21.05 C ATOM 137 OE1 GLU A 443 3.383 -4.265 9.067 1.00 72.52 O ATOM 138 OE2 GLU A 443 1.456 -3.390 9.635 1.00 43.13 O ATOM 0 H GLU A 443 0.428 -1.680 5.131 1.00 2.52 H new ATOM 0 HA GLU A 443 3.383 -1.523 5.237 1.00 11.31 H new ATOM 0 HB2 GLU A 443 1.526 -3.657 6.383 1.00 42.13 H new ATOM 0 HB3 GLU A 443 3.269 -3.814 6.291 1.00 42.13 H new ATOM 0 HG2 GLU A 443 3.554 -1.919 7.830 1.00 65.33 H new ATOM 0 HG3 GLU A 443 1.822 -1.660 7.871 1.00 65.33 H new ATOM 145 N ILE A 444 3.646 -3.104 3.290 1.00 2.45 N ATOM 146 CA ILE A 444 3.801 -3.971 2.116 1.00 70.23 C ATOM 147 C ILE A 444 4.548 -5.261 2.493 1.00 3.43 C ATOM 148 O ILE A 444 5.656 -5.213 3.031 1.00 13.44 O ATOM 149 CB ILE A 444 4.570 -3.258 0.974 1.00 62.43 C ATOM 150 CG1 ILE A 444 3.897 -1.922 0.623 1.00 13.44 C ATOM 151 CG2 ILE A 444 4.653 -4.160 -0.261 1.00 24.42 C ATOM 152 CD1 ILE A 444 4.622 -1.136 -0.450 1.00 50.52 C ATOM 0 H ILE A 444 4.502 -2.627 3.573 1.00 2.45 H new ATOM 0 HA ILE A 444 2.799 -4.213 1.763 1.00 70.23 H new ATOM 0 HB ILE A 444 5.584 -3.051 1.318 1.00 62.43 H new ATOM 0 HG12 ILE A 444 2.877 -2.116 0.292 1.00 13.44 H new ATOM 0 HG13 ILE A 444 3.829 -1.312 1.524 1.00 13.44 H new ATOM 0 HG21 ILE A 444 5.196 -3.644 -1.053 1.00 24.42 H new ATOM 0 HG22 ILE A 444 5.175 -5.082 -0.004 1.00 24.42 H new ATOM 0 HG23 ILE A 444 3.647 -4.398 -0.606 1.00 24.42 H new ATOM 0 HD11 ILE A 444 4.088 -0.206 -0.643 1.00 50.52 H new ATOM 0 HD12 ILE A 444 5.634 -0.910 -0.114 1.00 50.52 H new ATOM 0 HD13 ILE A 444 4.667 -1.726 -1.366 1.00 50.52 H new ATOM 164 N LYS A 445 3.939 -6.406 2.208 1.00 75.25 N ATOM 165 CA LYS A 445 4.520 -7.707 2.560 1.00 21.02 C ATOM 166 C LYS A 445 4.459 -8.678 1.366 1.00 62.45 C ATOM 167 O LYS A 445 3.420 -8.811 0.723 1.00 75.22 O ATOM 168 CB LYS A 445 3.755 -8.283 3.762 1.00 72.13 C ATOM 169 CG LYS A 445 4.326 -9.583 4.319 1.00 51.43 C ATOM 170 CD LYS A 445 5.735 -9.403 4.876 1.00 30.41 C ATOM 171 CE LYS A 445 6.229 -10.664 5.576 1.00 3.03 C ATOM 172 NZ LYS A 445 6.247 -11.843 4.671 1.00 13.42 N ATOM 0 H LYS A 445 3.039 -6.465 1.732 1.00 75.25 H new ATOM 0 HA LYS A 445 5.570 -7.573 2.822 1.00 21.02 H new ATOM 0 HB2 LYS A 445 3.742 -7.538 4.557 1.00 72.13 H new ATOM 0 HB3 LYS A 445 2.719 -8.454 3.468 1.00 72.13 H new ATOM 0 HG2 LYS A 445 3.671 -9.957 5.106 1.00 51.43 H new ATOM 0 HG3 LYS A 445 4.342 -10.337 3.532 1.00 51.43 H new ATOM 0 HD2 LYS A 445 6.417 -9.146 4.065 1.00 30.41 H new ATOM 0 HD3 LYS A 445 5.745 -8.569 5.578 1.00 30.41 H new ATOM 0 HE2 LYS A 445 7.233 -10.492 5.964 1.00 3.03 H new ATOM 0 HE3 LYS A 445 5.588 -10.876 6.432 1.00 3.03 H new ATOM 0 HZ1 LYS A 445 6.699 -12.645 5.155 1.00 13.42 H new ATOM 0 HZ2 LYS A 445 5.272 -12.099 4.414 1.00 13.42 H new ATOM 0 HZ3 LYS A 445 6.782 -11.611 3.810 1.00 13.42 H new ATOM 186 N GLY A 446 5.573 -9.345 1.061 1.00 1.02 N ATOM 187 CA GLY A 446 5.600 -10.281 -0.062 1.00 1.31 C ATOM 188 C GLY A 446 7.009 -10.704 -0.479 1.00 31.12 C ATOM 189 O GLY A 446 7.992 -10.337 0.170 1.00 50.14 O ATOM 0 H GLY A 446 6.454 -9.257 1.567 1.00 1.02 H new ATOM 0 HA2 GLY A 446 5.028 -11.170 0.204 1.00 1.31 H new ATOM 0 HA3 GLY A 446 5.100 -9.824 -0.916 1.00 1.31 H new ATOM 193 N PRO A 447 7.136 -11.486 -1.571 1.00 11.23 N ATOM 194 CA PRO A 447 8.439 -11.989 -2.053 1.00 12.01 C ATOM 195 C PRO A 447 9.360 -10.883 -2.604 1.00 13.44 C ATOM 196 O PRO A 447 8.930 -10.029 -3.385 1.00 74.03 O ATOM 197 CB PRO A 447 8.048 -12.975 -3.166 1.00 2.04 C ATOM 198 CG PRO A 447 6.710 -12.509 -3.635 1.00 20.03 C ATOM 199 CD PRO A 447 6.018 -11.954 -2.417 1.00 54.32 C ATOM 0 HA PRO A 447 9.016 -12.436 -1.243 1.00 12.01 H new ATOM 0 HB2 PRO A 447 8.777 -12.966 -3.977 1.00 2.04 H new ATOM 0 HB3 PRO A 447 8.002 -13.997 -2.791 1.00 2.04 H new ATOM 0 HG2 PRO A 447 6.810 -11.748 -4.409 1.00 20.03 H new ATOM 0 HG3 PRO A 447 6.140 -13.331 -4.068 1.00 20.03 H new ATOM 0 HD2 PRO A 447 5.341 -11.139 -2.676 1.00 54.32 H new ATOM 0 HD3 PRO A 447 5.423 -12.714 -1.912 1.00 54.32 H new ATOM 207 N ASP A 448 10.630 -10.918 -2.198 1.00 1.32 N ATOM 208 CA ASP A 448 11.622 -9.928 -2.632 1.00 52.41 C ATOM 209 C ASP A 448 12.049 -10.146 -4.093 1.00 11.42 C ATOM 210 O ASP A 448 12.260 -9.189 -4.836 1.00 44.12 O ATOM 211 CB ASP A 448 12.857 -9.989 -1.724 1.00 63.43 C ATOM 212 CG ASP A 448 12.537 -9.648 -0.278 1.00 41.43 C ATOM 213 OD1 ASP A 448 11.957 -10.502 0.429 1.00 25.01 O ATOM 214 OD2 ASP A 448 12.886 -8.534 0.166 1.00 71.12 O ATOM 0 H ASP A 448 11.000 -11.626 -1.564 1.00 1.32 H new ATOM 0 HA ASP A 448 11.155 -8.945 -2.560 1.00 52.41 H new ATOM 0 HB2 ASP A 448 13.289 -10.989 -1.771 1.00 63.43 H new ATOM 0 HB3 ASP A 448 13.613 -9.298 -2.098 1.00 63.43 H new ATOM 219 N VAL A 449 12.187 -11.409 -4.496 1.00 23.11 N ATOM 220 CA VAL A 449 12.629 -11.749 -5.855 1.00 15.44 C ATOM 221 C VAL A 449 11.582 -12.607 -6.585 1.00 30.01 C ATOM 222 O VAL A 449 11.083 -13.591 -6.036 1.00 12.02 O ATOM 223 CB VAL A 449 13.982 -12.510 -5.836 1.00 12.12 C ATOM 224 CG1 VAL A 449 14.455 -12.819 -7.257 1.00 12.03 C ATOM 225 CG2 VAL A 449 15.042 -11.715 -5.072 1.00 53.33 C ATOM 0 H VAL A 449 12.000 -12.217 -3.902 1.00 23.11 H new ATOM 0 HA VAL A 449 12.756 -10.807 -6.389 1.00 15.44 H new ATOM 0 HB VAL A 449 13.829 -13.457 -5.318 1.00 12.12 H new ATOM 0 HG11 VAL A 449 15.405 -13.352 -7.216 1.00 12.03 H new ATOM 0 HG12 VAL A 449 13.713 -13.438 -7.761 1.00 12.03 H new ATOM 0 HG13 VAL A 449 14.585 -11.887 -7.808 1.00 12.03 H new ATOM 0 HG21 VAL A 449 15.981 -12.268 -5.072 1.00 53.33 H new ATOM 0 HG22 VAL A 449 15.190 -10.749 -5.554 1.00 53.33 H new ATOM 0 HG23 VAL A 449 14.711 -11.561 -4.045 1.00 53.33 H new ATOM 235 N VAL A 450 11.255 -12.230 -7.822 1.00 22.34 N ATOM 236 CA VAL A 450 10.276 -12.967 -8.636 1.00 63.22 C ATOM 237 C VAL A 450 10.767 -13.156 -10.083 1.00 64.32 C ATOM 238 O VAL A 450 11.699 -12.485 -10.534 1.00 61.04 O ATOM 239 CB VAL A 450 8.898 -12.255 -8.659 1.00 63.12 C ATOM 240 CG1 VAL A 450 8.282 -12.207 -7.261 1.00 3.43 C ATOM 241 CG2 VAL A 450 9.024 -10.849 -9.246 1.00 12.43 C ATOM 0 H VAL A 450 11.654 -11.415 -8.288 1.00 22.34 H new ATOM 0 HA VAL A 450 10.164 -13.945 -8.167 1.00 63.22 H new ATOM 0 HB VAL A 450 8.232 -12.833 -9.299 1.00 63.12 H new ATOM 0 HG11 VAL A 450 7.317 -11.703 -7.306 1.00 3.43 H new ATOM 0 HG12 VAL A 450 8.144 -13.222 -6.889 1.00 3.43 H new ATOM 0 HG13 VAL A 450 8.945 -11.662 -6.590 1.00 3.43 H new ATOM 0 HG21 VAL A 450 8.046 -10.368 -9.252 1.00 12.43 H new ATOM 0 HG22 VAL A 450 9.713 -10.262 -8.639 1.00 12.43 H new ATOM 0 HG23 VAL A 450 9.403 -10.913 -10.266 1.00 12.43 H new ATOM 251 N GLY A 451 10.137 -14.082 -10.804 1.00 71.11 N ATOM 252 CA GLY A 451 10.510 -14.343 -12.192 1.00 40.55 C ATOM 253 C GLY A 451 9.620 -13.624 -13.203 1.00 10.21 C ATOM 254 O GLY A 451 8.489 -13.244 -12.894 1.00 11.12 O ATOM 0 H GLY A 451 9.373 -14.659 -10.454 1.00 71.11 H new ATOM 0 HA2 GLY A 451 11.544 -14.036 -12.347 1.00 40.55 H new ATOM 0 HA3 GLY A 451 10.465 -15.416 -12.377 1.00 40.55 H new ATOM 258 N VAL A 452 10.130 -13.440 -14.419 1.00 3.34 N ATOM 259 CA VAL A 452 9.374 -12.777 -15.485 1.00 43.13 C ATOM 260 C VAL A 452 8.131 -13.596 -15.894 1.00 63.32 C ATOM 261 O VAL A 452 8.187 -14.825 -15.995 1.00 60.13 O ATOM 262 CB VAL A 452 10.265 -12.524 -16.731 1.00 73.33 C ATOM 263 CG1 VAL A 452 10.747 -13.841 -17.336 1.00 72.23 C ATOM 264 CG2 VAL A 452 9.529 -11.681 -17.772 1.00 72.51 C ATOM 0 H VAL A 452 11.065 -13.741 -14.693 1.00 3.34 H new ATOM 0 HA VAL A 452 9.041 -11.818 -15.087 1.00 43.13 H new ATOM 0 HB VAL A 452 11.141 -11.963 -16.406 1.00 73.33 H new ATOM 0 HG11 VAL A 452 11.369 -13.635 -18.207 1.00 72.23 H new ATOM 0 HG12 VAL A 452 11.329 -14.390 -16.596 1.00 72.23 H new ATOM 0 HG13 VAL A 452 9.887 -14.439 -17.637 1.00 72.23 H new ATOM 0 HG21 VAL A 452 10.177 -11.520 -18.634 1.00 72.51 H new ATOM 0 HG22 VAL A 452 8.626 -12.202 -18.090 1.00 72.51 H new ATOM 0 HG23 VAL A 452 9.259 -10.719 -17.336 1.00 72.51 H new ATOM 274 N ASN A 453 7.007 -12.904 -16.103 1.00 61.23 N ATOM 275 CA ASN A 453 5.736 -13.542 -16.487 1.00 4.44 C ATOM 276 C ASN A 453 5.212 -14.513 -15.407 1.00 3.21 C ATOM 277 O ASN A 453 4.308 -15.310 -15.660 1.00 25.04 O ATOM 278 CB ASN A 453 5.878 -14.258 -17.841 1.00 63.12 C ATOM 279 CG ASN A 453 6.044 -13.277 -18.989 1.00 61.40 C ATOM 280 OD1 ASN A 453 5.501 -12.180 -18.964 1.00 42.20 O ATOM 281 ND2 ASN A 453 6.800 -13.652 -19.998 1.00 71.23 N ATOM 0 H ASN A 453 6.948 -11.890 -16.012 1.00 61.23 H new ATOM 0 HA ASN A 453 4.996 -12.747 -16.583 1.00 4.44 H new ATOM 0 HB2 ASN A 453 6.738 -14.927 -17.809 1.00 63.12 H new ATOM 0 HB3 ASN A 453 4.999 -14.877 -18.018 1.00 63.12 H new ATOM 0 HD21 ASN A 453 6.946 -13.022 -20.787 1.00 71.23 H new ATOM 0 HD22 ASN A 453 7.240 -14.572 -19.991 1.00 71.23 H new ATOM 288 N LYS A 454 5.769 -14.427 -14.199 1.00 12.14 N ATOM 289 CA LYS A 454 5.291 -15.228 -13.066 1.00 41.44 C ATOM 290 C LYS A 454 4.272 -14.448 -12.228 1.00 24.33 C ATOM 291 O LYS A 454 4.333 -13.223 -12.142 1.00 33.14 O ATOM 292 CB LYS A 454 6.468 -15.662 -12.182 1.00 2.30 C ATOM 293 CG LYS A 454 7.400 -16.678 -12.841 1.00 60.05 C ATOM 294 CD LYS A 454 6.684 -17.992 -13.158 1.00 51.00 C ATOM 295 CE LYS A 454 6.082 -18.630 -11.909 1.00 64.34 C ATOM 296 NZ LYS A 454 5.500 -19.969 -12.188 1.00 22.33 N ATOM 0 H LYS A 454 6.552 -13.812 -13.977 1.00 12.14 H new ATOM 0 HA LYS A 454 4.800 -16.114 -13.469 1.00 41.44 H new ATOM 0 HB2 LYS A 454 7.046 -14.780 -11.906 1.00 2.30 H new ATOM 0 HB3 LYS A 454 6.077 -16.089 -11.258 1.00 2.30 H new ATOM 0 HG2 LYS A 454 7.805 -16.255 -13.760 1.00 60.05 H new ATOM 0 HG3 LYS A 454 8.245 -16.876 -12.182 1.00 60.05 H new ATOM 0 HD2 LYS A 454 5.895 -17.808 -13.888 1.00 51.00 H new ATOM 0 HD3 LYS A 454 7.387 -18.687 -13.617 1.00 51.00 H new ATOM 0 HE2 LYS A 454 6.852 -18.723 -11.143 1.00 64.34 H new ATOM 0 HE3 LYS A 454 5.309 -17.976 -11.506 1.00 64.34 H new ATOM 0 HZ1 LYS A 454 5.103 -20.364 -11.312 1.00 22.33 H new ATOM 0 HZ2 LYS A 454 4.747 -19.879 -12.900 1.00 22.33 H new ATOM 0 HZ3 LYS A 454 6.242 -20.602 -12.548 1.00 22.33 H new ATOM 310 N LEU A 455 3.344 -15.165 -11.607 1.00 5.11 N ATOM 311 CA LEU A 455 2.308 -14.538 -10.786 1.00 12.12 C ATOM 312 C LEU A 455 2.742 -14.468 -9.313 1.00 61.42 C ATOM 313 O LEU A 455 2.957 -15.495 -8.668 1.00 11.52 O ATOM 314 CB LEU A 455 0.995 -15.325 -10.909 1.00 72.14 C ATOM 315 CG LEU A 455 -0.238 -14.658 -10.278 1.00 5.25 C ATOM 316 CD1 LEU A 455 -0.537 -13.331 -10.969 1.00 32.42 C ATOM 317 CD2 LEU A 455 -1.447 -15.589 -10.343 1.00 34.43 C ATOM 0 H LEU A 455 3.285 -16.182 -11.654 1.00 5.11 H new ATOM 0 HA LEU A 455 2.154 -13.521 -11.146 1.00 12.12 H new ATOM 0 HB2 LEU A 455 0.792 -15.497 -11.966 1.00 72.14 H new ATOM 0 HB3 LEU A 455 1.133 -16.303 -10.448 1.00 72.14 H new ATOM 0 HG LEU A 455 -0.023 -14.457 -9.229 1.00 5.25 H new ATOM 0 HD11 LEU A 455 -1.413 -12.871 -10.511 1.00 32.42 H new ATOM 0 HD12 LEU A 455 0.319 -12.665 -10.864 1.00 32.42 H new ATOM 0 HD13 LEU A 455 -0.732 -13.507 -12.027 1.00 32.42 H new ATOM 0 HD21 LEU A 455 -2.309 -15.098 -9.891 1.00 34.43 H new ATOM 0 HD22 LEU A 455 -1.668 -15.826 -11.384 1.00 34.43 H new ATOM 0 HD23 LEU A 455 -1.228 -16.509 -9.801 1.00 34.43 H new ATOM 329 N ALA A 456 2.879 -13.253 -8.786 1.00 72.03 N ATOM 330 CA ALA A 456 3.265 -13.053 -7.382 1.00 4.44 C ATOM 331 C ALA A 456 2.200 -12.263 -6.608 1.00 3.54 C ATOM 332 O ALA A 456 1.719 -11.231 -7.071 1.00 22.04 O ATOM 333 CB ALA A 456 4.611 -12.338 -7.304 1.00 1.31 C ATOM 0 H ALA A 456 2.729 -12.389 -9.307 1.00 72.03 H new ATOM 0 HA ALA A 456 3.351 -14.036 -6.918 1.00 4.44 H new ATOM 0 HB1 ALA A 456 4.887 -12.195 -6.259 1.00 1.31 H new ATOM 0 HB2 ALA A 456 5.372 -12.939 -7.801 1.00 1.31 H new ATOM 0 HB3 ALA A 456 4.537 -11.368 -7.796 1.00 1.31 H new ATOM 339 N GLU A 457 1.835 -12.746 -5.424 1.00 71.11 N ATOM 340 CA GLU A 457 0.855 -12.056 -4.574 1.00 42.12 C ATOM 341 C GLU A 457 1.530 -11.292 -3.431 1.00 42.12 C ATOM 342 O GLU A 457 2.483 -11.774 -2.818 1.00 64.42 O ATOM 343 CB GLU A 457 -0.170 -13.050 -4.008 1.00 63.22 C ATOM 344 CG GLU A 457 -1.255 -13.440 -5.004 1.00 53.31 C ATOM 345 CD GLU A 457 -2.173 -14.526 -4.476 1.00 63.54 C ATOM 346 OE1 GLU A 457 -1.825 -15.719 -4.608 1.00 11.22 O ATOM 347 OE2 GLU A 457 -3.245 -14.192 -3.922 1.00 21.11 O ATOM 0 H GLU A 457 2.200 -13.612 -5.027 1.00 71.11 H new ATOM 0 HA GLU A 457 0.338 -11.331 -5.203 1.00 42.12 H new ATOM 0 HB2 GLU A 457 0.351 -13.950 -3.680 1.00 63.22 H new ATOM 0 HB3 GLU A 457 -0.638 -12.614 -3.126 1.00 63.22 H new ATOM 0 HG2 GLU A 457 -1.847 -12.559 -5.253 1.00 53.31 H new ATOM 0 HG3 GLU A 457 -0.788 -13.782 -5.928 1.00 53.31 H new ATOM 354 N TYR A 458 1.028 -10.092 -3.160 1.00 2.21 N ATOM 355 CA TYR A 458 1.533 -9.260 -2.062 1.00 53.21 C ATOM 356 C TYR A 458 0.406 -8.878 -1.088 1.00 44.12 C ATOM 357 O TYR A 458 -0.779 -8.997 -1.408 1.00 54.25 O ATOM 358 CB TYR A 458 2.206 -7.992 -2.616 1.00 1.10 C ATOM 359 CG TYR A 458 3.497 -8.261 -3.372 1.00 1.55 C ATOM 360 CD1 TYR A 458 3.479 -8.741 -4.679 1.00 61.24 C ATOM 361 CD2 TYR A 458 4.732 -8.038 -2.775 1.00 32.32 C ATOM 362 CE1 TYR A 458 4.653 -8.995 -5.362 1.00 62.31 C ATOM 363 CE2 TYR A 458 5.909 -8.287 -3.453 1.00 3.41 C ATOM 364 CZ TYR A 458 5.865 -8.765 -4.745 1.00 43.33 C ATOM 365 OH TYR A 458 7.035 -9.018 -5.423 1.00 11.40 O ATOM 0 H TYR A 458 0.266 -9.667 -3.688 1.00 2.21 H new ATOM 0 HA TYR A 458 2.272 -9.844 -1.513 1.00 53.21 H new ATOM 0 HB2 TYR A 458 1.507 -7.482 -3.279 1.00 1.10 H new ATOM 0 HB3 TYR A 458 2.415 -7.313 -1.790 1.00 1.10 H new ATOM 0 HD1 TYR A 458 2.532 -8.918 -5.167 1.00 61.24 H new ATOM 0 HD2 TYR A 458 4.772 -7.663 -1.763 1.00 32.32 H new ATOM 0 HE1 TYR A 458 4.622 -9.372 -6.374 1.00 62.31 H new ATOM 0 HE2 TYR A 458 6.860 -8.108 -2.973 1.00 3.41 H new ATOM 0 HH TYR A 458 7.709 -9.357 -4.797 1.00 11.40 H new ATOM 375 N GLU A 459 0.794 -8.394 0.089 1.00 10.10 N ATOM 376 CA GLU A 459 -0.156 -8.015 1.139 1.00 54.34 C ATOM 377 C GLU A 459 -0.014 -6.534 1.495 1.00 24.21 C ATOM 378 O GLU A 459 1.083 -6.060 1.798 1.00 3.40 O ATOM 379 CB GLU A 459 0.095 -8.827 2.419 1.00 13.43 C ATOM 380 CG GLU A 459 -0.152 -10.325 2.298 1.00 31.03 C ATOM 381 CD GLU A 459 0.226 -11.065 3.575 1.00 44.13 C ATOM 382 OE1 GLU A 459 -0.285 -10.695 4.658 1.00 2.45 O ATOM 383 OE2 GLU A 459 1.036 -12.013 3.507 1.00 14.24 O ATOM 0 H GLU A 459 1.771 -8.253 0.344 1.00 10.10 H new ATOM 0 HA GLU A 459 -1.155 -8.215 0.753 1.00 54.34 H new ATOM 0 HB2 GLU A 459 1.127 -8.670 2.733 1.00 13.43 H new ATOM 0 HB3 GLU A 459 -0.543 -8.433 3.210 1.00 13.43 H new ATOM 0 HG2 GLU A 459 -1.203 -10.503 2.072 1.00 31.03 H new ATOM 0 HG3 GLU A 459 0.425 -10.722 1.463 1.00 31.03 H new ATOM 390 N VAL A 460 -1.125 -5.812 1.465 1.00 50.22 N ATOM 391 CA VAL A 460 -1.161 -4.441 1.969 1.00 43.42 C ATOM 392 C VAL A 460 -1.948 -4.395 3.282 1.00 34.50 C ATOM 393 O VAL A 460 -3.154 -4.636 3.303 1.00 4.22 O ATOM 394 CB VAL A 460 -1.806 -3.466 0.948 1.00 45.22 C ATOM 395 CG1 VAL A 460 -1.709 -2.023 1.445 1.00 31.32 C ATOM 396 CG2 VAL A 460 -1.158 -3.610 -0.427 1.00 64.31 C ATOM 0 H VAL A 460 -2.015 -6.150 1.098 1.00 50.22 H new ATOM 0 HA VAL A 460 -0.132 -4.122 2.134 1.00 43.42 H new ATOM 0 HB VAL A 460 -2.861 -3.724 0.852 1.00 45.22 H new ATOM 0 HG11 VAL A 460 -2.167 -1.355 0.715 1.00 31.32 H new ATOM 0 HG12 VAL A 460 -2.230 -1.931 2.398 1.00 31.32 H new ATOM 0 HG13 VAL A 460 -0.661 -1.753 1.577 1.00 31.32 H new ATOM 0 HG21 VAL A 460 -1.627 -2.916 -1.125 1.00 64.31 H new ATOM 0 HG22 VAL A 460 -0.094 -3.386 -0.353 1.00 64.31 H new ATOM 0 HG23 VAL A 460 -1.290 -4.631 -0.786 1.00 64.31 H new ATOM 406 N HIS A 461 -1.262 -4.106 4.380 1.00 31.15 N ATOM 407 CA HIS A 461 -1.914 -3.996 5.688 1.00 22.32 C ATOM 408 C HIS A 461 -2.201 -2.529 6.027 1.00 64.45 C ATOM 409 O HIS A 461 -1.287 -1.762 6.322 1.00 14.34 O ATOM 410 CB HIS A 461 -1.047 -4.641 6.777 1.00 22.20 C ATOM 411 CG HIS A 461 -0.996 -6.140 6.709 1.00 51.25 C ATOM 412 ND1 HIS A 461 -1.657 -6.950 7.605 1.00 73.21 N ATOM 413 CD2 HIS A 461 -0.354 -6.978 5.854 1.00 75.25 C ATOM 414 CE1 HIS A 461 -1.427 -8.215 7.312 1.00 75.41 C ATOM 415 NE2 HIS A 461 -0.643 -8.262 6.254 1.00 62.31 N ATOM 0 H HIS A 461 -0.255 -3.943 4.396 1.00 31.15 H new ATOM 0 HA HIS A 461 -2.864 -4.529 5.643 1.00 22.32 H new ATOM 0 HB2 HIS A 461 -0.033 -4.249 6.699 1.00 22.20 H new ATOM 0 HB3 HIS A 461 -1.429 -4.345 7.754 1.00 22.20 H new ATOM 0 HD1 HIS A 461 -2.236 -6.622 8.378 1.00 73.21 H new ATOM 0 HD2 HIS A 461 0.266 -6.690 5.018 1.00 75.25 H new ATOM 0 HE1 HIS A 461 -1.815 -9.068 7.848 1.00 75.41 H new ATOM 0 HE2 HIS A 461 -0.305 -9.113 5.804 1.00 62.31 H new ATOM 424 N VAL A 462 -3.475 -2.150 5.972 1.00 54.31 N ATOM 425 CA VAL A 462 -3.888 -0.764 6.196 1.00 74.02 C ATOM 426 C VAL A 462 -4.605 -0.627 7.546 1.00 64.44 C ATOM 427 O VAL A 462 -5.561 -1.347 7.832 1.00 44.42 O ATOM 428 CB VAL A 462 -4.799 -0.259 5.043 1.00 51.35 C ATOM 429 CG1 VAL A 462 -4.114 -0.475 3.697 1.00 34.12 C ATOM 430 CG2 VAL A 462 -6.168 -0.942 5.058 1.00 42.10 C ATOM 0 H VAL A 462 -4.246 -2.788 5.773 1.00 54.31 H new ATOM 0 HA VAL A 462 -2.991 -0.145 6.214 1.00 74.02 H new ATOM 0 HB VAL A 462 -4.963 0.808 5.195 1.00 51.35 H new ATOM 0 HG11 VAL A 462 -4.762 -0.117 2.897 1.00 34.12 H new ATOM 0 HG12 VAL A 462 -3.173 0.075 3.675 1.00 34.12 H new ATOM 0 HG13 VAL A 462 -3.916 -1.538 3.556 1.00 34.12 H new ATOM 0 HG21 VAL A 462 -6.774 -0.561 4.236 1.00 42.10 H new ATOM 0 HG22 VAL A 462 -6.039 -2.018 4.945 1.00 42.10 H new ATOM 0 HG23 VAL A 462 -6.668 -0.734 6.004 1.00 42.10 H new ATOM 440 N LYS A 463 -4.136 0.286 8.384 1.00 71.50 N ATOM 441 CA LYS A 463 -4.670 0.420 9.742 1.00 0.45 C ATOM 442 C LYS A 463 -4.681 1.875 10.229 1.00 43.12 C ATOM 443 O LYS A 463 -3.812 2.674 9.874 1.00 75.54 O ATOM 444 CB LYS A 463 -3.855 -0.448 10.706 1.00 52.13 C ATOM 445 CG LYS A 463 -2.348 -0.329 10.509 1.00 71.44 C ATOM 446 CD LYS A 463 -1.578 -0.867 11.706 1.00 21.31 C ATOM 447 CE LYS A 463 -1.817 -2.356 11.916 1.00 73.52 C ATOM 448 NZ LYS A 463 -1.016 -2.899 13.043 1.00 60.34 N ATOM 0 H LYS A 463 -3.391 0.944 8.155 1.00 71.50 H new ATOM 0 HA LYS A 463 -5.706 0.082 9.719 1.00 0.45 H new ATOM 0 HB2 LYS A 463 -4.102 -0.169 11.730 1.00 52.13 H new ATOM 0 HB3 LYS A 463 -4.148 -1.490 10.580 1.00 52.13 H new ATOM 0 HG2 LYS A 463 -2.054 -0.875 9.613 1.00 71.44 H new ATOM 0 HG3 LYS A 463 -2.084 0.716 10.347 1.00 71.44 H new ATOM 0 HD2 LYS A 463 -0.513 -0.688 11.562 1.00 21.31 H new ATOM 0 HD3 LYS A 463 -1.875 -0.322 12.602 1.00 21.31 H new ATOM 0 HE2 LYS A 463 -2.876 -2.529 12.109 1.00 73.52 H new ATOM 0 HE3 LYS A 463 -1.567 -2.895 11.002 1.00 73.52 H new ATOM 0 HZ1 LYS A 463 -1.210 -3.915 13.149 1.00 60.34 H new ATOM 0 HZ2 LYS A 463 -0.004 -2.759 12.849 1.00 60.34 H new ATOM 0 HZ3 LYS A 463 -1.272 -2.404 13.921 1.00 60.34 H new ATOM 462 N ASN A 464 -5.679 2.204 11.045 1.00 42.31 N ATOM 463 CA ASN A 464 -5.762 3.519 11.683 1.00 2.52 C ATOM 464 C ASN A 464 -5.266 3.419 13.134 1.00 43.42 C ATOM 465 O ASN A 464 -5.759 2.600 13.907 1.00 31.41 O ATOM 466 CB ASN A 464 -7.221 4.000 11.650 1.00 3.31 C ATOM 467 CG ASN A 464 -7.400 5.447 12.082 1.00 53.21 C ATOM 468 OD1 ASN A 464 -6.637 5.983 12.881 1.00 61.21 O ATOM 469 ND2 ASN A 464 -8.426 6.086 11.559 1.00 75.02 N ATOM 0 H ASN A 464 -6.447 1.575 11.282 1.00 42.31 H new ATOM 0 HA ASN A 464 -5.136 4.233 11.148 1.00 2.52 H new ATOM 0 HB2 ASN A 464 -7.610 3.882 10.639 1.00 3.31 H new ATOM 0 HB3 ASN A 464 -7.819 3.360 12.299 1.00 3.31 H new ATOM 0 HD21 ASN A 464 -8.607 7.057 11.815 1.00 75.02 H new ATOM 0 HD22 ASN A 464 -9.040 5.610 10.898 1.00 75.02 H new ATOM 476 N LEU A 465 -4.316 4.269 13.510 1.00 52.31 N ATOM 477 CA LEU A 465 -3.709 4.208 14.848 1.00 30.42 C ATOM 478 C LEU A 465 -3.994 5.476 15.669 1.00 35.23 C ATOM 479 O LEU A 465 -3.449 5.657 16.760 1.00 21.35 O ATOM 480 CB LEU A 465 -2.197 3.978 14.721 1.00 70.33 C ATOM 481 CG LEU A 465 -1.792 2.702 13.955 1.00 35.54 C ATOM 482 CD1 LEU A 465 -0.275 2.586 13.848 1.00 61.23 C ATOM 483 CD2 LEU A 465 -2.382 1.459 14.623 1.00 23.32 C ATOM 0 H LEU A 465 -3.946 5.009 12.913 1.00 52.31 H new ATOM 0 HA LEU A 465 -4.160 3.372 15.383 1.00 30.42 H new ATOM 0 HB2 LEU A 465 -1.755 4.839 14.221 1.00 70.33 H new ATOM 0 HB3 LEU A 465 -1.766 3.935 15.721 1.00 70.33 H new ATOM 0 HG LEU A 465 -2.197 2.774 12.946 1.00 35.54 H new ATOM 0 HD11 LEU A 465 -0.017 1.678 13.304 1.00 61.23 H new ATOM 0 HD12 LEU A 465 0.120 3.452 13.317 1.00 61.23 H new ATOM 0 HD13 LEU A 465 0.158 2.545 14.847 1.00 61.23 H new ATOM 0 HD21 LEU A 465 -2.084 0.571 14.066 1.00 23.32 H new ATOM 0 HD22 LEU A 465 -2.014 1.387 15.646 1.00 23.32 H new ATOM 0 HD23 LEU A 465 -3.469 1.533 14.633 1.00 23.32 H new ATOM 495 N GLY A 466 -4.866 6.339 15.152 1.00 23.14 N ATOM 496 CA GLY A 466 -5.237 7.560 15.869 1.00 42.12 C ATOM 497 C GLY A 466 -6.388 7.350 16.850 1.00 52.13 C ATOM 498 O GLY A 466 -6.570 8.129 17.784 1.00 14.34 O ATOM 0 H GLY A 466 -5.325 6.219 14.249 1.00 23.14 H new ATOM 0 HA2 GLY A 466 -4.369 7.934 16.411 1.00 42.12 H new ATOM 0 HA3 GLY A 466 -5.517 8.327 15.147 1.00 42.12 H new ATOM 502 N GLY A 467 -7.165 6.288 16.636 1.00 41.22 N ATOM 503 CA GLY A 467 -8.303 5.995 17.509 1.00 14.24 C ATOM 504 C GLY A 467 -9.597 6.690 17.082 1.00 2.51 C ATOM 505 O GLY A 467 -10.557 6.747 17.846 1.00 44.45 O ATOM 0 H GLY A 467 -7.030 5.623 15.875 1.00 41.22 H new ATOM 0 HA2 GLY A 467 -8.468 4.918 17.528 1.00 14.24 H new ATOM 0 HA3 GLY A 467 -8.057 6.297 18.527 1.00 14.24 H new ATOM 509 N ILE A 468 -9.623 7.211 15.857 1.00 72.31 N ATOM 510 CA ILE A 468 -10.818 7.866 15.305 1.00 42.14 C ATOM 511 C ILE A 468 -11.061 7.430 13.848 1.00 41.15 C ATOM 512 O ILE A 468 -10.135 7.404 13.035 1.00 75.02 O ATOM 513 CB ILE A 468 -10.700 9.412 15.402 1.00 13.20 C ATOM 514 CG1 ILE A 468 -11.844 10.111 14.645 1.00 63.33 C ATOM 515 CG2 ILE A 468 -9.342 9.880 14.890 1.00 75.04 C ATOM 516 CD1 ILE A 468 -11.872 11.616 14.835 1.00 40.22 C ATOM 0 H ILE A 468 -8.826 7.194 15.220 1.00 72.31 H new ATOM 0 HA ILE A 468 -11.675 7.553 15.901 1.00 42.14 H new ATOM 0 HB ILE A 468 -10.784 9.689 16.453 1.00 13.20 H new ATOM 0 HG12 ILE A 468 -11.752 9.890 13.582 1.00 63.33 H new ATOM 0 HG13 ILE A 468 -12.795 9.694 14.977 1.00 63.33 H new ATOM 0 HG21 ILE A 468 -9.279 10.966 14.966 1.00 75.04 H new ATOM 0 HG22 ILE A 468 -8.552 9.428 15.489 1.00 75.04 H new ATOM 0 HG23 ILE A 468 -9.223 9.582 13.848 1.00 75.04 H new ATOM 0 HD11 ILE A 468 -12.704 12.038 14.272 1.00 40.22 H new ATOM 0 HD12 ILE A 468 -11.995 11.847 15.893 1.00 40.22 H new ATOM 0 HD13 ILE A 468 -10.937 12.045 14.476 1.00 40.22 H new ATOM 528 N GLY A 469 -12.314 7.090 13.531 1.00 25.54 N ATOM 529 CA GLY A 469 -12.651 6.506 12.231 1.00 1.41 C ATOM 530 C GLY A 469 -12.554 7.473 11.047 1.00 44.43 C ATOM 531 O GLY A 469 -12.874 8.660 11.164 1.00 14.41 O ATOM 0 H GLY A 469 -13.111 7.209 14.157 1.00 25.54 H new ATOM 0 HA2 GLY A 469 -11.989 5.660 12.046 1.00 1.41 H new ATOM 0 HA3 GLY A 469 -13.666 6.112 12.278 1.00 1.41 H new ATOM 535 N VAL A 470 -12.112 6.949 9.897 1.00 64.44 N ATOM 536 CA VAL A 470 -12.034 7.724 8.648 1.00 1.32 C ATOM 537 C VAL A 470 -12.674 6.955 7.464 1.00 14.42 C ATOM 538 O VAL A 470 -12.179 5.900 7.057 1.00 11.35 O ATOM 539 CB VAL A 470 -10.560 8.072 8.291 1.00 61.35 C ATOM 540 CG1 VAL A 470 -10.491 8.929 7.026 1.00 14.51 C ATOM 541 CG2 VAL A 470 -9.865 8.775 9.458 1.00 3.12 C ATOM 0 H VAL A 470 -11.800 5.982 9.804 1.00 64.44 H new ATOM 0 HA VAL A 470 -12.590 8.647 8.815 1.00 1.32 H new ATOM 0 HB VAL A 470 -10.034 7.137 8.097 1.00 61.35 H new ATOM 0 HG11 VAL A 470 -9.450 9.158 6.798 1.00 14.51 H new ATOM 0 HG12 VAL A 470 -10.933 8.383 6.192 1.00 14.51 H new ATOM 0 HG13 VAL A 470 -11.041 9.857 7.185 1.00 14.51 H new ATOM 0 HG21 VAL A 470 -8.836 9.007 9.182 1.00 3.12 H new ATOM 0 HG22 VAL A 470 -10.395 9.698 9.694 1.00 3.12 H new ATOM 0 HG23 VAL A 470 -9.868 8.122 10.330 1.00 3.12 H new ATOM 551 N PRO A 471 -13.799 7.461 6.912 1.00 12.21 N ATOM 552 CA PRO A 471 -14.450 6.872 5.721 1.00 12.34 C ATOM 553 C PRO A 471 -13.813 7.327 4.387 1.00 74.34 C ATOM 554 O PRO A 471 -14.118 6.796 3.320 1.00 14.00 O ATOM 555 CB PRO A 471 -15.885 7.396 5.839 1.00 54.41 C ATOM 556 CG PRO A 471 -15.733 8.737 6.483 1.00 53.34 C ATOM 557 CD PRO A 471 -14.560 8.621 7.429 1.00 63.03 C ATOM 0 HA PRO A 471 -14.361 5.786 5.701 1.00 12.34 H new ATOM 0 HB2 PRO A 471 -16.362 7.475 4.862 1.00 54.41 H new ATOM 0 HB3 PRO A 471 -16.503 6.732 6.443 1.00 54.41 H new ATOM 0 HG2 PRO A 471 -15.555 9.510 5.735 1.00 53.34 H new ATOM 0 HG3 PRO A 471 -16.640 9.016 7.020 1.00 53.34 H new ATOM 0 HD2 PRO A 471 -13.955 9.528 7.429 1.00 63.03 H new ATOM 0 HD3 PRO A 471 -14.889 8.458 8.455 1.00 63.03 H new ATOM 565 N SER A 472 -12.941 8.325 4.468 1.00 12.30 N ATOM 566 CA SER A 472 -12.290 8.940 3.292 1.00 51.54 C ATOM 567 C SER A 472 -10.991 8.220 2.883 1.00 1.31 C ATOM 568 O SER A 472 -10.220 8.734 2.074 1.00 44.43 O ATOM 569 CB SER A 472 -12.002 10.424 3.560 1.00 11.01 C ATOM 570 OG SER A 472 -13.203 11.151 3.797 1.00 3.11 O ATOM 0 H SER A 472 -12.656 8.742 5.354 1.00 12.30 H new ATOM 0 HA SER A 472 -12.987 8.842 2.460 1.00 51.54 H new ATOM 0 HB2 SER A 472 -11.342 10.518 4.422 1.00 11.01 H new ATOM 0 HB3 SER A 472 -11.477 10.854 2.707 1.00 11.01 H new ATOM 0 HG SER A 472 -12.988 12.092 3.966 1.00 3.11 H new ATOM 576 N THR A 473 -10.754 7.025 3.420 1.00 21.43 N ATOM 577 CA THR A 473 -9.430 6.389 3.349 1.00 11.11 C ATOM 578 C THR A 473 -9.242 5.553 2.071 1.00 61.13 C ATOM 579 O THR A 473 -9.810 4.475 1.916 1.00 71.52 O ATOM 580 CB THR A 473 -9.213 5.464 4.578 1.00 65.34 C ATOM 581 OG1 THR A 473 -9.281 6.228 5.791 1.00 10.44 O ATOM 582 CG2 THR A 473 -7.873 4.739 4.511 1.00 30.24 C ATOM 0 H THR A 473 -11.458 6.474 3.910 1.00 21.43 H new ATOM 0 HA THR A 473 -8.699 7.198 3.339 1.00 11.11 H new ATOM 0 HB THR A 473 -10.006 4.716 4.566 1.00 65.34 H new ATOM 0 HG1 THR A 473 -10.172 6.134 6.187 1.00 10.44 H new ATOM 0 HG21 THR A 473 -7.759 4.102 5.388 1.00 30.24 H new ATOM 0 HG22 THR A 473 -7.836 4.126 3.611 1.00 30.24 H new ATOM 0 HG23 THR A 473 -7.065 5.470 4.486 1.00 30.24 H new ATOM 590 N LYS A 474 -8.433 6.082 1.151 1.00 32.33 N ATOM 591 CA LYS A 474 -8.109 5.401 -0.112 1.00 45.04 C ATOM 592 C LYS A 474 -6.663 4.873 -0.106 1.00 21.44 C ATOM 593 O LYS A 474 -5.731 5.600 0.230 1.00 4.04 O ATOM 594 CB LYS A 474 -8.299 6.365 -1.294 1.00 30.42 C ATOM 595 CG LYS A 474 -9.726 6.883 -1.452 1.00 22.40 C ATOM 596 CD LYS A 474 -9.830 7.922 -2.567 1.00 55.34 C ATOM 597 CE LYS A 474 -11.264 8.403 -2.764 1.00 44.40 C ATOM 598 NZ LYS A 474 -12.151 7.331 -3.299 1.00 65.25 N ATOM 0 H LYS A 474 -7.983 6.991 1.256 1.00 32.33 H new ATOM 0 HA LYS A 474 -8.785 4.553 -0.218 1.00 45.04 H new ATOM 0 HB2 LYS A 474 -7.627 7.214 -1.168 1.00 30.42 H new ATOM 0 HB3 LYS A 474 -8.004 5.859 -2.213 1.00 30.42 H new ATOM 0 HG2 LYS A 474 -10.394 6.049 -1.668 1.00 22.40 H new ATOM 0 HG3 LYS A 474 -10.059 7.323 -0.512 1.00 22.40 H new ATOM 0 HD2 LYS A 474 -9.191 8.773 -2.331 1.00 55.34 H new ATOM 0 HD3 LYS A 474 -9.460 7.494 -3.498 1.00 55.34 H new ATOM 0 HE2 LYS A 474 -11.660 8.758 -1.813 1.00 44.40 H new ATOM 0 HE3 LYS A 474 -11.270 9.252 -3.448 1.00 44.40 H new ATOM 0 HZ1 LYS A 474 -12.384 7.536 -4.292 1.00 65.25 H new ATOM 0 HZ2 LYS A 474 -11.662 6.415 -3.240 1.00 65.25 H new ATOM 0 HZ3 LYS A 474 -13.026 7.293 -2.739 1.00 65.25 H new ATOM 612 N VAL A 475 -6.486 3.607 -0.483 1.00 63.34 N ATOM 613 CA VAL A 475 -5.159 2.968 -0.521 1.00 5.20 C ATOM 614 C VAL A 475 -4.767 2.608 -1.963 1.00 24.54 C ATOM 615 O VAL A 475 -5.531 1.958 -2.676 1.00 55.20 O ATOM 616 CB VAL A 475 -5.139 1.689 0.351 1.00 52.41 C ATOM 617 CG1 VAL A 475 -3.740 1.075 0.384 1.00 4.52 C ATOM 618 CG2 VAL A 475 -5.641 1.997 1.763 1.00 1.35 C ATOM 0 H VAL A 475 -7.249 2.994 -0.770 1.00 63.34 H new ATOM 0 HA VAL A 475 -4.438 3.682 -0.123 1.00 5.20 H new ATOM 0 HB VAL A 475 -5.812 0.956 -0.095 1.00 52.41 H new ATOM 0 HG11 VAL A 475 -3.751 0.178 1.003 1.00 4.52 H new ATOM 0 HG12 VAL A 475 -3.433 0.814 -0.629 1.00 4.52 H new ATOM 0 HG13 VAL A 475 -3.036 1.795 0.802 1.00 4.52 H new ATOM 0 HG21 VAL A 475 -5.621 1.087 2.363 1.00 1.35 H new ATOM 0 HG22 VAL A 475 -4.999 2.749 2.222 1.00 1.35 H new ATOM 0 HG23 VAL A 475 -6.662 2.375 1.712 1.00 1.35 H new ATOM 628 N ARG A 476 -3.580 3.032 -2.395 1.00 35.02 N ATOM 629 CA ARG A 476 -3.133 2.795 -3.773 1.00 62.14 C ATOM 630 C ARG A 476 -1.716 2.202 -3.829 1.00 10.52 C ATOM 631 O ARG A 476 -0.904 2.410 -2.927 1.00 43.22 O ATOM 632 CB ARG A 476 -3.204 4.102 -4.580 1.00 32.15 C ATOM 633 CG ARG A 476 -4.618 4.671 -4.668 1.00 61.03 C ATOM 634 CD ARG A 476 -4.727 5.829 -5.656 1.00 25.52 C ATOM 635 NE ARG A 476 -4.088 7.049 -5.170 1.00 20.53 N ATOM 636 CZ ARG A 476 -4.661 8.221 -5.170 1.00 50.12 C ATOM 637 NH1 ARG A 476 -5.873 8.368 -5.598 1.00 22.43 N ATOM 638 NH2 ARG A 476 -4.013 9.250 -4.741 1.00 23.31 N ATOM 0 H ARG A 476 -2.911 3.539 -1.816 1.00 35.02 H new ATOM 0 HA ARG A 476 -3.804 2.060 -4.217 1.00 62.14 H new ATOM 0 HB2 ARG A 476 -2.548 4.842 -4.121 1.00 32.15 H new ATOM 0 HB3 ARG A 476 -2.827 3.922 -5.587 1.00 32.15 H new ATOM 0 HG2 ARG A 476 -5.306 3.879 -4.965 1.00 61.03 H new ATOM 0 HG3 ARG A 476 -4.931 5.011 -3.681 1.00 61.03 H new ATOM 0 HD2 ARG A 476 -4.271 5.538 -6.602 1.00 25.52 H new ATOM 0 HD3 ARG A 476 -5.779 6.031 -5.858 1.00 25.52 H new ATOM 0 HE ARG A 476 -3.137 6.981 -4.809 1.00 20.53 H new ATOM 0 HH11 ARG A 476 -6.394 7.561 -5.942 1.00 22.43 H new ATOM 0 HH12 ARG A 476 -6.308 9.291 -5.592 1.00 22.43 H new ATOM 0 HH21 ARG A 476 -3.056 9.146 -4.403 1.00 23.31 H new ATOM 0 HH22 ARG A 476 -4.457 10.168 -4.739 1.00 23.31 H new ATOM 652 N VAL A 477 -1.434 1.454 -4.898 1.00 41.45 N ATOM 653 CA VAL A 477 -0.125 0.813 -5.088 1.00 42.25 C ATOM 654 C VAL A 477 0.540 1.277 -6.393 1.00 65.24 C ATOM 655 O VAL A 477 -0.028 1.133 -7.480 1.00 41.44 O ATOM 656 CB VAL A 477 -0.257 -0.734 -5.111 1.00 53.40 C ATOM 657 CG1 VAL A 477 1.084 -1.399 -5.421 1.00 2.51 C ATOM 658 CG2 VAL A 477 -0.818 -1.247 -3.785 1.00 40.32 C ATOM 0 H VAL A 477 -2.098 1.275 -5.652 1.00 41.45 H new ATOM 0 HA VAL A 477 0.498 1.109 -4.244 1.00 42.25 H new ATOM 0 HB VAL A 477 -0.954 -0.998 -5.907 1.00 53.40 H new ATOM 0 HG11 VAL A 477 0.960 -2.482 -5.430 1.00 2.51 H new ATOM 0 HG12 VAL A 477 1.438 -1.066 -6.397 1.00 2.51 H new ATOM 0 HG13 VAL A 477 1.812 -1.124 -4.658 1.00 2.51 H new ATOM 0 HG21 VAL A 477 -0.903 -2.333 -3.822 1.00 40.32 H new ATOM 0 HG22 VAL A 477 -0.149 -0.962 -2.973 1.00 40.32 H new ATOM 0 HG23 VAL A 477 -1.803 -0.812 -3.614 1.00 40.32 H new ATOM 668 N TYR A 478 1.745 1.832 -6.274 1.00 13.35 N ATOM 669 CA TYR A 478 2.516 2.302 -7.431 1.00 61.04 C ATOM 670 C TYR A 478 3.793 1.470 -7.629 1.00 41.43 C ATOM 671 O TYR A 478 4.487 1.140 -6.667 1.00 2.31 O ATOM 672 CB TYR A 478 2.899 3.778 -7.249 1.00 33.55 C ATOM 673 CG TYR A 478 1.713 4.723 -7.164 1.00 10.25 C ATOM 674 CD1 TYR A 478 1.037 4.921 -5.964 1.00 22.20 C ATOM 675 CD2 TYR A 478 1.275 5.423 -8.284 1.00 35.43 C ATOM 676 CE1 TYR A 478 -0.040 5.783 -5.885 1.00 63.14 C ATOM 677 CE2 TYR A 478 0.201 6.288 -8.211 1.00 61.04 C ATOM 678 CZ TYR A 478 -0.451 6.465 -7.011 1.00 33.12 C ATOM 679 OH TYR A 478 -1.521 7.326 -6.936 1.00 24.32 O ATOM 0 H TYR A 478 2.215 1.969 -5.379 1.00 13.35 H new ATOM 0 HA TYR A 478 1.886 2.189 -8.314 1.00 61.04 H new ATOM 0 HB2 TYR A 478 3.495 3.878 -6.342 1.00 33.55 H new ATOM 0 HB3 TYR A 478 3.533 4.083 -8.082 1.00 33.55 H new ATOM 0 HD1 TYR A 478 1.360 4.392 -5.079 1.00 22.20 H new ATOM 0 HD2 TYR A 478 1.784 5.287 -9.227 1.00 35.43 H new ATOM 0 HE1 TYR A 478 -0.557 5.922 -4.947 1.00 63.14 H new ATOM 0 HE2 TYR A 478 -0.126 6.823 -9.090 1.00 61.04 H new ATOM 0 HH TYR A 478 -1.632 7.630 -6.011 1.00 24.32 H new ATOM 689 N ILE A 479 4.090 1.131 -8.879 1.00 4.14 N ATOM 690 CA ILE A 479 5.333 0.435 -9.227 1.00 4.00 C ATOM 691 C ILE A 479 6.215 1.343 -10.096 1.00 63.42 C ATOM 692 O ILE A 479 5.866 1.651 -11.240 1.00 11.21 O ATOM 693 CB ILE A 479 5.046 -0.890 -9.982 1.00 63.00 C ATOM 694 CG1 ILE A 479 4.100 -1.780 -9.153 1.00 1.23 C ATOM 695 CG2 ILE A 479 6.351 -1.627 -10.294 1.00 13.44 C ATOM 696 CD1 ILE A 479 3.715 -3.075 -9.835 1.00 35.25 C ATOM 0 H ILE A 479 3.485 1.327 -9.676 1.00 4.14 H new ATOM 0 HA ILE A 479 5.854 0.194 -8.300 1.00 4.00 H new ATOM 0 HB ILE A 479 4.558 -0.654 -10.928 1.00 63.00 H new ATOM 0 HG12 ILE A 479 4.577 -2.011 -8.201 1.00 1.23 H new ATOM 0 HG13 ILE A 479 3.194 -1.217 -8.927 1.00 1.23 H new ATOM 0 HG21 ILE A 479 6.128 -2.553 -10.823 1.00 13.44 H new ATOM 0 HG22 ILE A 479 6.985 -0.996 -10.917 1.00 13.44 H new ATOM 0 HG23 ILE A 479 6.870 -1.857 -9.364 1.00 13.44 H new ATOM 0 HD11 ILE A 479 3.048 -3.643 -9.187 1.00 35.25 H new ATOM 0 HD12 ILE A 479 3.207 -2.855 -10.774 1.00 35.25 H new ATOM 0 HD13 ILE A 479 4.612 -3.661 -10.036 1.00 35.25 H new ATOM 708 N ASN A 480 7.339 1.793 -9.536 1.00 44.40 N ATOM 709 CA ASN A 480 8.231 2.750 -10.210 1.00 3.43 C ATOM 710 C ASN A 480 7.475 4.046 -10.566 1.00 41.13 C ATOM 711 O ASN A 480 7.769 4.704 -11.566 1.00 20.43 O ATOM 712 CB ASN A 480 8.847 2.119 -11.473 1.00 50.44 C ATOM 713 CG ASN A 480 9.733 0.924 -11.161 1.00 62.33 C ATOM 714 OD1 ASN A 480 9.547 0.231 -10.168 1.00 45.25 O ATOM 715 ND2 ASN A 480 10.705 0.667 -12.015 1.00 74.33 N ATOM 0 H ASN A 480 7.659 1.510 -8.610 1.00 44.40 H new ATOM 0 HA ASN A 480 9.038 3.004 -9.523 1.00 3.43 H new ATOM 0 HB2 ASN A 480 8.047 1.807 -12.145 1.00 50.44 H new ATOM 0 HB3 ASN A 480 9.432 2.872 -12.001 1.00 50.44 H new ATOM 0 HD21 ASN A 480 11.326 -0.127 -11.857 1.00 74.33 H new ATOM 0 HD22 ASN A 480 10.836 1.262 -12.833 1.00 74.33 H new ATOM 722 N GLY A 481 6.520 4.421 -9.713 1.00 74.52 N ATOM 723 CA GLY A 481 5.714 5.617 -9.949 1.00 45.20 C ATOM 724 C GLY A 481 4.421 5.347 -10.717 1.00 74.32 C ATOM 725 O GLY A 481 3.486 6.148 -10.673 1.00 22.23 O ATOM 0 H GLY A 481 6.288 3.916 -8.858 1.00 74.52 H new ATOM 0 HA2 GLY A 481 5.468 6.073 -8.990 1.00 45.20 H new ATOM 0 HA3 GLY A 481 6.310 6.342 -10.503 1.00 45.20 H new ATOM 729 N THR A 482 4.356 4.215 -11.413 1.00 72.12 N ATOM 730 CA THR A 482 3.185 3.872 -12.235 1.00 62.33 C ATOM 731 C THR A 482 2.063 3.257 -11.384 1.00 4.31 C ATOM 732 O THR A 482 2.276 2.260 -10.694 1.00 74.21 O ATOM 733 CB THR A 482 3.564 2.873 -13.358 1.00 62.02 C ATOM 734 OG1 THR A 482 4.668 3.388 -14.124 1.00 42.01 O ATOM 735 CG2 THR A 482 2.382 2.608 -14.289 1.00 71.45 C ATOM 0 H THR A 482 5.098 3.515 -11.428 1.00 72.12 H new ATOM 0 HA THR A 482 2.830 4.802 -12.679 1.00 62.33 H new ATOM 0 HB THR A 482 3.849 1.933 -12.885 1.00 62.02 H new ATOM 0 HG1 THR A 482 4.902 2.750 -14.830 1.00 42.01 H new ATOM 0 HG21 THR A 482 2.681 1.904 -15.065 1.00 71.45 H new ATOM 0 HG22 THR A 482 1.555 2.188 -13.717 1.00 71.45 H new ATOM 0 HG23 THR A 482 2.065 3.543 -14.750 1.00 71.45 H new ATOM 743 N LEU A 483 0.862 3.842 -11.438 1.00 61.30 N ATOM 744 CA LEU A 483 -0.276 3.330 -10.662 1.00 41.54 C ATOM 745 C LEU A 483 -0.684 1.927 -11.135 1.00 72.02 C ATOM 746 O LEU A 483 -1.133 1.743 -12.268 1.00 44.33 O ATOM 747 CB LEU A 483 -1.479 4.282 -10.755 1.00 42.33 C ATOM 748 CG LEU A 483 -2.734 3.827 -9.985 1.00 72.22 C ATOM 749 CD1 LEU A 483 -2.454 3.704 -8.490 1.00 74.11 C ATOM 750 CD2 LEU A 483 -3.901 4.780 -10.235 1.00 64.24 C ATOM 0 H LEU A 483 0.652 4.663 -12.005 1.00 61.30 H new ATOM 0 HA LEU A 483 0.042 3.267 -9.621 1.00 41.54 H new ATOM 0 HB2 LEU A 483 -1.178 5.261 -10.382 1.00 42.33 H new ATOM 0 HB3 LEU A 483 -1.742 4.409 -11.805 1.00 42.33 H new ATOM 0 HG LEU A 483 -3.009 2.840 -10.357 1.00 72.22 H new ATOM 0 HD11 LEU A 483 -3.359 3.381 -7.976 1.00 74.11 H new ATOM 0 HD12 LEU A 483 -1.663 2.972 -8.327 1.00 74.11 H new ATOM 0 HD13 LEU A 483 -2.139 4.671 -8.098 1.00 74.11 H new ATOM 0 HD21 LEU A 483 -4.775 4.438 -9.681 1.00 64.24 H new ATOM 0 HD22 LEU A 483 -3.630 5.782 -9.903 1.00 64.24 H new ATOM 0 HD23 LEU A 483 -4.132 4.801 -11.300 1.00 64.24 H new ATOM 762 N TYR A 484 -0.526 0.945 -10.257 1.00 34.52 N ATOM 763 CA TYR A 484 -0.855 -0.444 -10.581 1.00 34.24 C ATOM 764 C TYR A 484 -2.310 -0.794 -10.210 1.00 31.23 C ATOM 765 O TYR A 484 -3.022 -1.437 -10.988 1.00 11.33 O ATOM 766 CB TYR A 484 0.115 -1.384 -9.855 1.00 21.12 C ATOM 767 CG TYR A 484 -0.214 -2.849 -10.050 1.00 53.03 C ATOM 768 CD1 TYR A 484 0.058 -3.484 -11.256 1.00 51.32 C ATOM 769 CD2 TYR A 484 -0.817 -3.589 -9.038 1.00 3.15 C ATOM 770 CE1 TYR A 484 -0.253 -4.814 -11.445 1.00 33.10 C ATOM 771 CE2 TYR A 484 -1.134 -4.918 -9.223 1.00 0.42 C ATOM 772 CZ TYR A 484 -0.851 -5.525 -10.428 1.00 64.44 C ATOM 773 OH TYR A 484 -1.173 -6.845 -10.620 1.00 74.12 O ATOM 0 H TYR A 484 -0.171 1.082 -9.311 1.00 34.52 H new ATOM 0 HA TYR A 484 -0.755 -0.570 -11.659 1.00 34.24 H new ATOM 0 HB2 TYR A 484 1.128 -1.195 -10.211 1.00 21.12 H new ATOM 0 HB3 TYR A 484 0.104 -1.155 -8.789 1.00 21.12 H new ATOM 0 HD1 TYR A 484 0.520 -2.927 -12.058 1.00 51.32 H new ATOM 0 HD2 TYR A 484 -1.040 -3.115 -8.093 1.00 3.15 H new ATOM 0 HE1 TYR A 484 -0.029 -5.296 -12.385 1.00 33.10 H new ATOM 0 HE2 TYR A 484 -1.601 -5.480 -8.428 1.00 0.42 H new ATOM 0 HH TYR A 484 -1.372 -7.262 -9.756 1.00 74.12 H new ATOM 783 N LYS A 485 -2.749 -0.368 -9.024 1.00 72.30 N ATOM 784 CA LYS A 485 -4.105 -0.669 -8.546 1.00 60.10 C ATOM 785 C LYS A 485 -4.504 0.260 -7.386 1.00 55.32 C ATOM 786 O LYS A 485 -3.643 0.794 -6.684 1.00 43.05 O ATOM 787 CB LYS A 485 -4.192 -2.142 -8.110 1.00 25.35 C ATOM 788 CG LYS A 485 -5.610 -2.624 -7.812 1.00 73.20 C ATOM 789 CD LYS A 485 -5.650 -4.123 -7.524 1.00 42.02 C ATOM 790 CE LYS A 485 -7.067 -4.614 -7.253 1.00 30.52 C ATOM 791 NZ LYS A 485 -7.959 -4.440 -8.428 1.00 72.14 N ATOM 0 H LYS A 485 -2.188 0.186 -8.376 1.00 72.30 H new ATOM 0 HA LYS A 485 -4.804 -0.498 -9.365 1.00 60.10 H new ATOM 0 HB2 LYS A 485 -3.765 -2.767 -8.894 1.00 25.35 H new ATOM 0 HB3 LYS A 485 -3.578 -2.283 -7.220 1.00 25.35 H new ATOM 0 HG2 LYS A 485 -6.007 -2.079 -6.956 1.00 73.20 H new ATOM 0 HG3 LYS A 485 -6.256 -2.399 -8.661 1.00 73.20 H new ATOM 0 HD2 LYS A 485 -5.234 -4.666 -8.372 1.00 42.02 H new ATOM 0 HD3 LYS A 485 -5.019 -4.344 -6.663 1.00 42.02 H new ATOM 0 HE2 LYS A 485 -7.037 -5.668 -6.975 1.00 30.52 H new ATOM 0 HE3 LYS A 485 -7.480 -4.072 -6.403 1.00 30.52 H new ATOM 0 HZ1 LYS A 485 -8.850 -4.951 -8.266 1.00 72.14 H new ATOM 0 HZ2 LYS A 485 -8.160 -3.429 -8.565 1.00 72.14 H new ATOM 0 HZ3 LYS A 485 -7.492 -4.818 -9.277 1.00 72.14 H new ATOM 805 N ASN A 486 -5.810 0.455 -7.195 1.00 73.22 N ATOM 806 CA ASN A 486 -6.316 1.368 -6.160 1.00 41.40 C ATOM 807 C ASN A 486 -7.605 0.852 -5.488 1.00 53.32 C ATOM 808 O ASN A 486 -8.469 0.262 -6.137 1.00 54.32 O ATOM 809 CB ASN A 486 -6.554 2.758 -6.770 1.00 51.50 C ATOM 810 CG ASN A 486 -7.105 2.697 -8.183 1.00 1.31 C ATOM 811 OD1 ASN A 486 -6.356 2.711 -9.154 1.00 41.41 O ATOM 812 ND2 ASN A 486 -8.410 2.620 -8.318 1.00 1.11 N ATOM 0 H ASN A 486 -6.538 -0.005 -7.741 1.00 73.22 H new ATOM 0 HA ASN A 486 -5.558 1.428 -5.379 1.00 41.40 H new ATOM 0 HB2 ASN A 486 -7.248 3.312 -6.138 1.00 51.50 H new ATOM 0 HB3 ASN A 486 -5.616 3.312 -6.775 1.00 51.50 H new ATOM 0 HD21 ASN A 486 -8.824 2.570 -9.249 1.00 1.11 H new ATOM 0 HD22 ASN A 486 -9.008 2.610 -7.492 1.00 1.11 H new ATOM 819 N TRP A 487 -7.718 1.102 -4.180 1.00 15.53 N ATOM 820 CA TRP A 487 -8.900 0.721 -3.388 1.00 73.43 C ATOM 821 C TRP A 487 -9.421 1.919 -2.573 1.00 11.23 C ATOM 822 O TRP A 487 -8.639 2.760 -2.121 1.00 24.12 O ATOM 823 CB TRP A 487 -8.555 -0.406 -2.393 1.00 30.12 C ATOM 824 CG TRP A 487 -7.942 -1.635 -2.999 1.00 0.13 C ATOM 825 CD1 TRP A 487 -8.596 -2.703 -3.542 1.00 30.53 C ATOM 826 CD2 TRP A 487 -6.545 -1.938 -3.084 1.00 24.30 C ATOM 827 NE1 TRP A 487 -7.691 -3.645 -3.968 1.00 20.21 N ATOM 828 CE2 TRP A 487 -6.426 -3.198 -3.696 1.00 32.43 C ATOM 829 CE3 TRP A 487 -5.384 -1.262 -2.702 1.00 13.34 C ATOM 830 CZ2 TRP A 487 -5.190 -3.794 -3.937 1.00 13.13 C ATOM 831 CZ3 TRP A 487 -4.161 -1.854 -2.941 1.00 4.41 C ATOM 832 CH2 TRP A 487 -4.070 -3.109 -3.552 1.00 51.45 C ATOM 0 H TRP A 487 -6.995 1.574 -3.637 1.00 15.53 H new ATOM 0 HA TRP A 487 -9.660 0.383 -4.092 1.00 73.43 H new ATOM 0 HB2 TRP A 487 -7.869 -0.009 -1.645 1.00 30.12 H new ATOM 0 HB3 TRP A 487 -9.466 -0.696 -1.868 1.00 30.12 H new ATOM 0 HD1 TRP A 487 -9.669 -2.794 -3.625 1.00 30.53 H new ATOM 0 HE1 TRP A 487 -7.924 -4.532 -4.414 1.00 20.21 H new ATOM 0 HE3 TRP A 487 -5.443 -0.293 -2.228 1.00 13.34 H new ATOM 0 HZ2 TRP A 487 -5.119 -4.762 -4.411 1.00 13.13 H new ATOM 0 HZ3 TRP A 487 -3.257 -1.339 -2.651 1.00 4.41 H new ATOM 0 HH2 TRP A 487 -3.097 -3.546 -3.723 1.00 51.45 H new ATOM 843 N THR A 488 -10.737 1.993 -2.379 1.00 65.32 N ATOM 844 CA THR A 488 -11.329 2.965 -1.446 1.00 2.34 C ATOM 845 C THR A 488 -12.022 2.229 -0.290 1.00 3.04 C ATOM 846 O THR A 488 -12.986 1.489 -0.500 1.00 13.21 O ATOM 847 CB THR A 488 -12.355 3.900 -2.143 1.00 25.42 C ATOM 848 OG1 THR A 488 -11.703 4.702 -3.143 1.00 4.35 O ATOM 849 CG2 THR A 488 -13.043 4.815 -1.136 1.00 33.33 C ATOM 0 H THR A 488 -11.416 1.396 -2.851 1.00 65.32 H new ATOM 0 HA THR A 488 -10.514 3.582 -1.067 1.00 2.34 H new ATOM 0 HB THR A 488 -13.108 3.268 -2.613 1.00 25.42 H new ATOM 0 HG1 THR A 488 -12.278 4.771 -3.933 1.00 4.35 H new ATOM 0 HG21 THR A 488 -13.755 5.457 -1.655 1.00 33.33 H new ATOM 0 HG22 THR A 488 -13.570 4.212 -0.397 1.00 33.33 H new ATOM 0 HG23 THR A 488 -12.296 5.432 -0.635 1.00 33.33 H new ATOM 857 N VAL A 489 -11.541 2.456 0.931 1.00 54.14 N ATOM 858 CA VAL A 489 -12.027 1.726 2.112 1.00 11.32 C ATOM 859 C VAL A 489 -12.298 2.665 3.299 1.00 1.42 C ATOM 860 O VAL A 489 -12.025 3.866 3.242 1.00 25.24 O ATOM 861 CB VAL A 489 -11.015 0.631 2.558 1.00 11.12 C ATOM 862 CG1 VAL A 489 -10.833 -0.432 1.472 1.00 53.44 C ATOM 863 CG2 VAL A 489 -9.670 1.253 2.936 1.00 14.21 C ATOM 0 H VAL A 489 -10.813 3.141 1.134 1.00 54.14 H new ATOM 0 HA VAL A 489 -12.964 1.256 1.814 1.00 11.32 H new ATOM 0 HB VAL A 489 -11.425 0.141 3.441 1.00 11.12 H new ATOM 0 HG11 VAL A 489 -10.120 -1.183 1.813 1.00 53.44 H new ATOM 0 HG12 VAL A 489 -11.791 -0.909 1.265 1.00 53.44 H new ATOM 0 HG13 VAL A 489 -10.458 0.037 0.563 1.00 53.44 H new ATOM 0 HG21 VAL A 489 -8.980 0.468 3.244 1.00 14.21 H new ATOM 0 HG22 VAL A 489 -9.259 1.781 2.076 1.00 14.21 H new ATOM 0 HG23 VAL A 489 -9.812 1.955 3.758 1.00 14.21 H new ATOM 873 N SER A 490 -12.871 2.112 4.361 1.00 30.51 N ATOM 874 CA SER A 490 -13.114 2.859 5.600 1.00 1.03 C ATOM 875 C SER A 490 -12.476 2.142 6.795 1.00 73.33 C ATOM 876 O SER A 490 -12.636 0.931 6.956 1.00 31.40 O ATOM 877 CB SER A 490 -14.623 3.024 5.836 1.00 4.54 C ATOM 878 OG SER A 490 -15.287 1.763 5.899 1.00 61.32 O ATOM 0 H SER A 490 -13.180 1.141 4.393 1.00 30.51 H new ATOM 0 HA SER A 490 -12.660 3.845 5.499 1.00 1.03 H new ATOM 0 HB2 SER A 490 -14.789 3.570 6.765 1.00 4.54 H new ATOM 0 HB3 SER A 490 -15.054 3.623 5.033 1.00 4.54 H new ATOM 0 HG SER A 490 -16.245 1.905 6.052 1.00 61.32 H new ATOM 884 N LEU A 491 -11.760 2.893 7.630 1.00 12.20 N ATOM 885 CA LEU A 491 -11.094 2.331 8.812 1.00 12.51 C ATOM 886 C LEU A 491 -11.603 2.989 10.101 1.00 4.10 C ATOM 887 O LEU A 491 -11.522 4.209 10.264 1.00 2.23 O ATOM 888 CB LEU A 491 -9.571 2.507 8.697 1.00 2.00 C ATOM 889 CG LEU A 491 -8.897 1.698 7.576 1.00 41.22 C ATOM 890 CD1 LEU A 491 -7.406 2.021 7.502 1.00 30.53 C ATOM 891 CD2 LEU A 491 -9.118 0.197 7.786 1.00 11.41 C ATOM 0 H LEU A 491 -11.624 3.897 7.512 1.00 12.20 H new ATOM 0 HA LEU A 491 -11.330 1.268 8.857 1.00 12.51 H new ATOM 0 HB2 LEU A 491 -9.355 3.564 8.540 1.00 2.00 H new ATOM 0 HB3 LEU A 491 -9.117 2.227 9.648 1.00 2.00 H new ATOM 0 HG LEU A 491 -9.354 1.979 6.627 1.00 41.22 H new ATOM 0 HD11 LEU A 491 -6.947 1.439 6.703 1.00 30.53 H new ATOM 0 HD12 LEU A 491 -7.274 3.084 7.299 1.00 30.53 H new ATOM 0 HD13 LEU A 491 -6.932 1.771 8.451 1.00 30.53 H new ATOM 0 HD21 LEU A 491 -8.634 -0.358 6.983 1.00 11.41 H new ATOM 0 HD22 LEU A 491 -8.691 -0.103 8.743 1.00 11.41 H new ATOM 0 HD23 LEU A 491 -10.187 -0.017 7.782 1.00 11.41 H new ATOM 903 N GLY A 492 -12.142 2.179 11.006 1.00 13.12 N ATOM 904 CA GLY A 492 -12.622 2.686 12.288 1.00 14.33 C ATOM 905 C GLY A 492 -11.503 2.916 13.310 1.00 22.22 C ATOM 906 O GLY A 492 -10.317 2.849 12.973 1.00 12.41 O ATOM 0 H GLY A 492 -12.257 1.174 10.877 1.00 13.12 H new ATOM 0 HA2 GLY A 492 -13.152 3.624 12.124 1.00 14.33 H new ATOM 0 HA3 GLY A 492 -13.343 1.981 12.702 1.00 14.33 H new ATOM 910 N PRO A 493 -11.851 3.195 14.581 1.00 51.42 N ATOM 911 CA PRO A 493 -10.857 3.429 15.642 1.00 31.41 C ATOM 912 C PRO A 493 -9.979 2.191 15.916 1.00 4.24 C ATOM 913 O PRO A 493 -10.461 1.177 16.430 1.00 13.43 O ATOM 914 CB PRO A 493 -11.715 3.779 16.871 1.00 52.23 C ATOM 915 CG PRO A 493 -13.064 3.210 16.576 1.00 62.20 C ATOM 916 CD PRO A 493 -13.233 3.308 15.083 1.00 3.21 C ATOM 0 HA PRO A 493 -10.150 4.212 15.369 1.00 31.41 H new ATOM 0 HB2 PRO A 493 -11.296 3.349 17.780 1.00 52.23 H new ATOM 0 HB3 PRO A 493 -11.766 4.857 17.023 1.00 52.23 H new ATOM 0 HG2 PRO A 493 -13.133 2.175 16.910 1.00 62.20 H new ATOM 0 HG3 PRO A 493 -13.845 3.766 17.095 1.00 62.20 H new ATOM 0 HD2 PRO A 493 -13.869 2.511 14.696 1.00 3.21 H new ATOM 0 HD3 PRO A 493 -13.692 4.252 14.791 1.00 3.21 H new ATOM 924 N LYS A 494 -8.692 2.281 15.550 1.00 62.30 N ATOM 925 CA LYS A 494 -7.741 1.173 15.730 1.00 11.42 C ATOM 926 C LYS A 494 -8.151 -0.060 14.904 1.00 74.04 C ATOM 927 O LYS A 494 -7.979 -1.201 15.336 1.00 20.24 O ATOM 928 CB LYS A 494 -7.601 0.816 17.223 1.00 31.53 C ATOM 929 CG LYS A 494 -7.001 1.939 18.067 1.00 2.31 C ATOM 930 CD LYS A 494 -5.564 2.252 17.654 1.00 24.24 C ATOM 931 CE LYS A 494 -4.983 3.416 18.454 1.00 22.44 C ATOM 932 NZ LYS A 494 -4.931 3.127 19.910 1.00 45.52 N ATOM 0 H LYS A 494 -8.284 3.114 15.125 1.00 62.30 H new ATOM 0 HA LYS A 494 -6.769 1.503 15.364 1.00 11.42 H new ATOM 0 HB2 LYS A 494 -8.583 0.559 17.620 1.00 31.53 H new ATOM 0 HB3 LYS A 494 -6.977 -0.072 17.319 1.00 31.53 H new ATOM 0 HG2 LYS A 494 -7.612 2.836 17.966 1.00 2.31 H new ATOM 0 HG3 LYS A 494 -7.023 1.655 19.119 1.00 2.31 H new ATOM 0 HD2 LYS A 494 -4.944 1.367 17.798 1.00 24.24 H new ATOM 0 HD3 LYS A 494 -5.536 2.492 16.591 1.00 24.24 H new ATOM 0 HE2 LYS A 494 -3.978 3.637 18.093 1.00 22.44 H new ATOM 0 HE3 LYS A 494 -5.586 4.308 18.284 1.00 22.44 H new ATOM 0 HZ1 LYS A 494 -4.409 3.884 20.396 1.00 45.52 H new ATOM 0 HZ2 LYS A 494 -5.898 3.076 20.289 1.00 45.52 H new ATOM 0 HZ3 LYS A 494 -4.450 2.219 20.067 1.00 45.52 H new ATOM 946 N GLU A 495 -8.668 0.184 13.700 1.00 4.24 N ATOM 947 CA GLU A 495 -9.138 -0.889 12.814 1.00 50.23 C ATOM 948 C GLU A 495 -8.153 -1.140 11.658 1.00 61.14 C ATOM 949 O GLU A 495 -7.495 -0.211 11.180 1.00 3.10 O ATOM 950 CB GLU A 495 -10.520 -0.519 12.261 1.00 33.02 C ATOM 951 CG GLU A 495 -11.157 -1.593 11.388 1.00 63.01 C ATOM 952 CD GLU A 495 -12.550 -1.202 10.923 1.00 63.23 C ATOM 953 OE1 GLU A 495 -13.503 -1.299 11.727 1.00 74.22 O ATOM 954 OE2 GLU A 495 -12.697 -0.779 9.760 1.00 31.50 O ATOM 0 H GLU A 495 -8.774 1.121 13.311 1.00 4.24 H new ATOM 0 HA GLU A 495 -9.205 -1.810 13.393 1.00 50.23 H new ATOM 0 HB2 GLU A 495 -11.187 -0.305 13.096 1.00 33.02 H new ATOM 0 HB3 GLU A 495 -10.431 0.399 11.680 1.00 33.02 H new ATOM 0 HG2 GLU A 495 -10.524 -1.776 10.520 1.00 63.01 H new ATOM 0 HG3 GLU A 495 -11.211 -2.528 11.946 1.00 63.01 H new ATOM 961 N GLU A 496 -8.056 -2.398 11.212 1.00 52.33 N ATOM 962 CA GLU A 496 -7.133 -2.776 10.128 1.00 51.30 C ATOM 963 C GLU A 496 -7.814 -3.646 9.057 1.00 53.11 C ATOM 964 O GLU A 496 -8.666 -4.486 9.363 1.00 34.23 O ATOM 965 CB GLU A 496 -5.919 -3.530 10.701 1.00 52.31 C ATOM 966 CG GLU A 496 -4.917 -3.999 9.638 1.00 32.32 C ATOM 967 CD GLU A 496 -3.721 -4.748 10.214 1.00 61.54 C ATOM 968 OE1 GLU A 496 -3.677 -4.967 11.441 1.00 14.02 O ATOM 969 OE2 GLU A 496 -2.818 -5.125 9.436 1.00 14.41 O ATOM 0 H GLU A 496 -8.604 -3.174 11.583 1.00 52.33 H new ATOM 0 HA GLU A 496 -6.808 -1.851 9.651 1.00 51.30 H new ATOM 0 HB2 GLU A 496 -5.404 -2.882 11.410 1.00 52.31 H new ATOM 0 HB3 GLU A 496 -6.273 -4.397 11.259 1.00 52.31 H new ATOM 0 HG2 GLU A 496 -5.431 -4.645 8.926 1.00 32.32 H new ATOM 0 HG3 GLU A 496 -4.559 -3.133 9.081 1.00 32.32 H new ATOM 976 N LYS A 497 -7.428 -3.431 7.799 1.00 44.14 N ATOM 977 CA LYS A 497 -7.861 -4.273 6.678 1.00 13.44 C ATOM 978 C LYS A 497 -6.651 -4.794 5.889 1.00 31.43 C ATOM 979 O LYS A 497 -5.647 -4.094 5.736 1.00 2.53 O ATOM 980 CB LYS A 497 -8.792 -3.500 5.735 1.00 74.13 C ATOM 981 CG LYS A 497 -10.166 -3.223 6.326 1.00 44.25 C ATOM 982 CD LYS A 497 -11.138 -2.684 5.281 1.00 32.35 C ATOM 983 CE LYS A 497 -12.547 -2.608 5.841 1.00 62.01 C ATOM 984 NZ LYS A 497 -13.548 -2.222 4.815 1.00 64.11 N ATOM 0 H LYS A 497 -6.807 -2.669 7.526 1.00 44.14 H new ATOM 0 HA LYS A 497 -8.407 -5.119 7.096 1.00 13.44 H new ATOM 0 HB2 LYS A 497 -8.322 -2.553 5.470 1.00 74.13 H new ATOM 0 HB3 LYS A 497 -8.911 -4.066 4.811 1.00 74.13 H new ATOM 0 HG2 LYS A 497 -10.568 -4.141 6.756 1.00 44.25 H new ATOM 0 HG3 LYS A 497 -10.073 -2.504 7.140 1.00 44.25 H new ATOM 0 HD2 LYS A 497 -10.817 -1.694 4.956 1.00 32.35 H new ATOM 0 HD3 LYS A 497 -11.126 -3.327 4.401 1.00 32.35 H new ATOM 0 HE2 LYS A 497 -12.819 -3.575 6.263 1.00 62.01 H new ATOM 0 HE3 LYS A 497 -12.571 -1.886 6.657 1.00 62.01 H new ATOM 0 HZ1 LYS A 497 -14.493 -2.185 5.248 1.00 64.11 H new ATOM 0 HZ2 LYS A 497 -13.307 -1.287 4.429 1.00 64.11 H new ATOM 0 HZ3 LYS A 497 -13.547 -2.924 4.048 1.00 64.11 H new ATOM 998 N VAL A 498 -6.742 -6.026 5.394 1.00 70.25 N ATOM 999 CA VAL A 498 -5.679 -6.602 4.569 1.00 24.50 C ATOM 1000 C VAL A 498 -6.108 -6.664 3.098 1.00 72.15 C ATOM 1001 O VAL A 498 -7.003 -7.426 2.729 1.00 75.00 O ATOM 1002 CB VAL A 498 -5.302 -8.027 5.051 1.00 12.20 C ATOM 1003 CG1 VAL A 498 -4.137 -8.591 4.234 1.00 65.45 C ATOM 1004 CG2 VAL A 498 -4.975 -8.026 6.543 1.00 20.01 C ATOM 0 H VAL A 498 -7.538 -6.645 5.548 1.00 70.25 H new ATOM 0 HA VAL A 498 -4.807 -5.955 4.666 1.00 24.50 H new ATOM 0 HB VAL A 498 -6.164 -8.676 4.895 1.00 12.20 H new ATOM 0 HG11 VAL A 498 -3.892 -9.591 4.592 1.00 65.45 H new ATOM 0 HG12 VAL A 498 -4.420 -8.641 3.183 1.00 65.45 H new ATOM 0 HG13 VAL A 498 -3.268 -7.943 4.345 1.00 65.45 H new ATOM 0 HG21 VAL A 498 -4.713 -9.036 6.859 1.00 20.01 H new ATOM 0 HG22 VAL A 498 -4.134 -7.358 6.731 1.00 20.01 H new ATOM 0 HG23 VAL A 498 -5.843 -7.683 7.106 1.00 20.01 H new ATOM 1014 N LEU A 499 -5.462 -5.862 2.262 1.00 75.33 N ATOM 1015 CA LEU A 499 -5.776 -5.812 0.832 1.00 34.45 C ATOM 1016 C LEU A 499 -4.672 -6.509 0.018 1.00 74.33 C ATOM 1017 O LEU A 499 -3.498 -6.171 0.141 1.00 71.12 O ATOM 1018 CB LEU A 499 -5.921 -4.346 0.385 1.00 55.25 C ATOM 1019 CG LEU A 499 -6.857 -3.479 1.255 1.00 42.34 C ATOM 1020 CD1 LEU A 499 -6.848 -2.025 0.778 1.00 4.52 C ATOM 1021 CD2 LEU A 499 -8.284 -4.037 1.260 1.00 75.32 C ATOM 0 H LEU A 499 -4.712 -5.232 2.548 1.00 75.33 H new ATOM 0 HA LEU A 499 -6.716 -6.334 0.656 1.00 34.45 H new ATOM 0 HB2 LEU A 499 -4.932 -3.887 0.376 1.00 55.25 H new ATOM 0 HB3 LEU A 499 -6.289 -4.331 -0.641 1.00 55.25 H new ATOM 0 HG LEU A 499 -6.482 -3.508 2.278 1.00 42.34 H new ATOM 0 HD11 LEU A 499 -7.514 -1.432 1.405 1.00 4.52 H new ATOM 0 HD12 LEU A 499 -5.836 -1.626 0.846 1.00 4.52 H new ATOM 0 HD13 LEU A 499 -7.188 -1.979 -0.257 1.00 4.52 H new ATOM 0 HD21 LEU A 499 -8.919 -3.405 1.881 1.00 75.32 H new ATOM 0 HD22 LEU A 499 -8.672 -4.053 0.242 1.00 75.32 H new ATOM 0 HD23 LEU A 499 -8.277 -5.050 1.661 1.00 75.32 H new ATOM 1033 N THR A 500 -5.046 -7.479 -0.812 1.00 65.15 N ATOM 1034 CA THR A 500 -4.063 -8.237 -1.610 1.00 43.43 C ATOM 1035 C THR A 500 -4.208 -7.970 -3.110 1.00 41.24 C ATOM 1036 O THR A 500 -5.289 -7.635 -3.598 1.00 74.20 O ATOM 1037 CB THR A 500 -4.180 -9.768 -1.386 1.00 4.24 C ATOM 1038 OG1 THR A 500 -5.536 -10.204 -1.587 1.00 3.11 O ATOM 1039 CG2 THR A 500 -3.710 -10.169 0.007 1.00 10.33 C ATOM 0 H THR A 500 -6.015 -7.764 -0.955 1.00 65.15 H new ATOM 0 HA THR A 500 -3.089 -7.889 -1.266 1.00 43.43 H new ATOM 0 HB THR A 500 -3.533 -10.255 -2.116 1.00 4.24 H new ATOM 0 HG1 THR A 500 -5.593 -11.172 -1.444 1.00 3.11 H new ATOM 0 HG21 THR A 500 -3.807 -11.248 0.127 1.00 10.33 H new ATOM 0 HG22 THR A 500 -2.666 -9.882 0.136 1.00 10.33 H new ATOM 0 HG23 THR A 500 -4.320 -9.665 0.756 1.00 10.33 H new ATOM 1047 N PHE A 501 -3.104 -8.130 -3.837 1.00 54.11 N ATOM 1048 CA PHE A 501 -3.102 -8.013 -5.295 1.00 65.21 C ATOM 1049 C PHE A 501 -2.114 -9.013 -5.910 1.00 13.05 C ATOM 1050 O PHE A 501 -1.116 -9.380 -5.285 1.00 51.43 O ATOM 1051 CB PHE A 501 -2.757 -6.576 -5.730 1.00 64.02 C ATOM 1052 CG PHE A 501 -1.388 -6.095 -5.287 1.00 15.53 C ATOM 1053 CD1 PHE A 501 -1.208 -5.514 -4.037 1.00 44.02 C ATOM 1054 CD2 PHE A 501 -0.285 -6.218 -6.126 1.00 52.04 C ATOM 1055 CE1 PHE A 501 0.039 -5.068 -3.637 1.00 23.31 C ATOM 1056 CE2 PHE A 501 0.963 -5.773 -5.728 1.00 53.35 C ATOM 1057 CZ PHE A 501 1.125 -5.197 -4.482 1.00 45.03 C ATOM 0 H PHE A 501 -2.191 -8.343 -3.436 1.00 54.11 H new ATOM 0 HA PHE A 501 -4.103 -8.245 -5.657 1.00 65.21 H new ATOM 0 HB2 PHE A 501 -2.815 -6.515 -6.817 1.00 64.02 H new ATOM 0 HB3 PHE A 501 -3.512 -5.898 -5.332 1.00 64.02 H new ATOM 0 HD1 PHE A 501 -2.051 -5.410 -3.370 1.00 44.02 H new ATOM 0 HD2 PHE A 501 -0.405 -6.667 -7.101 1.00 52.04 H new ATOM 0 HE1 PHE A 501 0.164 -4.618 -2.663 1.00 23.31 H new ATOM 0 HE2 PHE A 501 1.810 -5.876 -6.390 1.00 53.35 H new ATOM 0 HZ PHE A 501 2.098 -4.848 -4.169 1.00 45.03 H new ATOM 1067 N SER A 502 -2.396 -9.458 -7.131 1.00 3.11 N ATOM 1068 CA SER A 502 -1.522 -10.407 -7.835 1.00 64.13 C ATOM 1069 C SER A 502 -0.822 -9.722 -9.015 1.00 74.45 C ATOM 1070 O SER A 502 -1.468 -9.317 -9.983 1.00 33.30 O ATOM 1071 CB SER A 502 -2.347 -11.599 -8.336 1.00 20.11 C ATOM 1072 OG SER A 502 -3.346 -11.184 -9.257 1.00 33.03 O ATOM 0 H SER A 502 -3.223 -9.179 -7.659 1.00 3.11 H new ATOM 0 HA SER A 502 -0.761 -10.762 -7.140 1.00 64.13 H new ATOM 0 HB2 SER A 502 -1.689 -12.325 -8.813 1.00 20.11 H new ATOM 0 HB3 SER A 502 -2.816 -12.101 -7.490 1.00 20.11 H new ATOM 0 HG SER A 502 -3.008 -10.436 -9.791 1.00 33.03 H new ATOM 1078 N TRP A 503 0.498 -9.601 -8.931 1.00 1.21 N ATOM 1079 CA TRP A 503 1.288 -8.884 -9.937 1.00 75.20 C ATOM 1080 C TRP A 503 2.082 -9.845 -10.835 1.00 54.01 C ATOM 1081 O TRP A 503 2.770 -10.748 -10.349 1.00 32.14 O ATOM 1082 CB TRP A 503 2.235 -7.898 -9.234 1.00 21.34 C ATOM 1083 CG TRP A 503 3.146 -7.141 -10.164 1.00 64.10 C ATOM 1084 CD1 TRP A 503 2.794 -6.461 -11.297 1.00 70.40 C ATOM 1085 CD2 TRP A 503 4.563 -6.973 -10.022 1.00 14.14 C ATOM 1086 NE1 TRP A 503 3.906 -5.891 -11.870 1.00 62.51 N ATOM 1087 CE2 TRP A 503 5.004 -6.189 -11.105 1.00 52.31 C ATOM 1088 CE3 TRP A 503 5.499 -7.413 -9.085 1.00 23.42 C ATOM 1089 CZ2 TRP A 503 6.340 -5.836 -11.274 1.00 21.10 C ATOM 1090 CZ3 TRP A 503 6.826 -7.063 -9.253 1.00 72.50 C ATOM 1091 CH2 TRP A 503 7.236 -6.280 -10.340 1.00 71.45 C ATOM 0 H TRP A 503 1.052 -9.993 -8.170 1.00 1.21 H new ATOM 0 HA TRP A 503 0.601 -8.337 -10.583 1.00 75.20 H new ATOM 0 HB2 TRP A 503 1.639 -7.183 -8.666 1.00 21.34 H new ATOM 0 HB3 TRP A 503 2.844 -8.447 -8.516 1.00 21.34 H new ATOM 0 HD1 TRP A 503 1.789 -6.383 -11.685 1.00 70.40 H new ATOM 0 HE1 TRP A 503 3.913 -5.336 -12.726 1.00 62.51 H new ATOM 0 HE3 TRP A 503 5.192 -8.016 -8.243 1.00 23.42 H new ATOM 0 HZ2 TRP A 503 6.658 -5.233 -12.112 1.00 21.10 H new ATOM 0 HZ3 TRP A 503 7.559 -7.399 -8.534 1.00 72.50 H new ATOM 0 HH2 TRP A 503 8.280 -6.022 -10.443 1.00 71.45 H new ATOM 1102 N THR A 504 1.967 -9.646 -12.149 1.00 54.05 N ATOM 1103 CA THR A 504 2.733 -10.427 -13.133 1.00 11.04 C ATOM 1104 C THR A 504 3.735 -9.531 -13.884 1.00 3.43 C ATOM 1105 O THR A 504 3.358 -8.791 -14.795 1.00 34.53 O ATOM 1106 CB THR A 504 1.803 -11.116 -14.170 1.00 14.02 C ATOM 1107 OG1 THR A 504 0.872 -11.986 -13.507 1.00 55.42 O ATOM 1108 CG2 THR A 504 2.607 -11.924 -15.185 1.00 42.52 C ATOM 0 H THR A 504 1.349 -8.948 -12.562 1.00 54.05 H new ATOM 0 HA THR A 504 3.270 -11.194 -12.575 1.00 11.04 H new ATOM 0 HB THR A 504 1.261 -10.330 -14.697 1.00 14.02 H new ATOM 0 HG1 THR A 504 0.292 -12.412 -14.172 1.00 55.42 H new ATOM 0 HG21 THR A 504 1.928 -12.394 -15.896 1.00 42.52 H new ATOM 0 HG22 THR A 504 3.290 -11.262 -15.718 1.00 42.52 H new ATOM 0 HG23 THR A 504 3.178 -12.694 -14.667 1.00 42.52 H new ATOM 1116 N PRO A 505 5.028 -9.566 -13.504 1.00 2.43 N ATOM 1117 CA PRO A 505 6.067 -8.763 -14.167 1.00 64.35 C ATOM 1118 C PRO A 505 6.458 -9.310 -15.554 1.00 61.14 C ATOM 1119 O PRO A 505 7.342 -10.157 -15.676 1.00 4.10 O ATOM 1120 CB PRO A 505 7.245 -8.847 -13.189 1.00 13.12 C ATOM 1121 CG PRO A 505 7.065 -10.157 -12.495 1.00 72.21 C ATOM 1122 CD PRO A 505 5.575 -10.364 -12.385 1.00 12.44 C ATOM 0 HA PRO A 505 5.731 -7.746 -14.368 1.00 64.35 H new ATOM 0 HB2 PRO A 505 8.200 -8.804 -13.713 1.00 13.12 H new ATOM 0 HB3 PRO A 505 7.233 -8.018 -12.481 1.00 13.12 H new ATOM 0 HG2 PRO A 505 7.531 -10.965 -13.059 1.00 72.21 H new ATOM 0 HG3 PRO A 505 7.532 -10.145 -11.510 1.00 72.21 H new ATOM 0 HD2 PRO A 505 5.309 -11.417 -12.476 1.00 12.44 H new ATOM 0 HD3 PRO A 505 5.193 -10.021 -11.424 1.00 12.44 H new ATOM 1130 N THR A 506 5.781 -8.831 -16.598 1.00 33.44 N ATOM 1131 CA THR A 506 6.073 -9.261 -17.977 1.00 41.35 C ATOM 1132 C THR A 506 7.447 -8.775 -18.457 1.00 72.14 C ATOM 1133 O THR A 506 7.982 -9.276 -19.449 1.00 31.44 O ATOM 1134 CB THR A 506 4.988 -8.768 -18.963 1.00 72.20 C ATOM 1135 OG1 THR A 506 4.861 -7.338 -18.884 1.00 61.23 O ATOM 1136 CG2 THR A 506 3.639 -9.418 -18.662 1.00 63.40 C ATOM 0 H THR A 506 5.028 -8.147 -16.522 1.00 33.44 H new ATOM 0 HA THR A 506 6.078 -10.351 -17.960 1.00 41.35 H new ATOM 0 HB THR A 506 5.294 -9.051 -19.970 1.00 72.20 H new ATOM 0 HG1 THR A 506 4.173 -7.035 -19.513 1.00 61.23 H new ATOM 0 HG21 THR A 506 2.894 -9.054 -19.370 1.00 63.40 H new ATOM 0 HG22 THR A 506 3.728 -10.500 -18.753 1.00 63.40 H new ATOM 0 HG23 THR A 506 3.331 -9.164 -17.648 1.00 63.40 H new ATOM 1144 N GLN A 507 8.005 -7.790 -17.757 1.00 31.20 N ATOM 1145 CA GLN A 507 9.360 -7.298 -18.029 1.00 64.25 C ATOM 1146 C GLN A 507 10.259 -7.488 -16.797 1.00 63.43 C ATOM 1147 O GLN A 507 9.871 -7.145 -15.679 1.00 52.30 O ATOM 1148 CB GLN A 507 9.317 -5.812 -18.413 1.00 21.41 C ATOM 1149 CG GLN A 507 10.689 -5.209 -18.705 1.00 11.22 C ATOM 1150 CD GLN A 507 10.639 -3.712 -18.978 1.00 24.41 C ATOM 1151 OE1 GLN A 507 9.646 -3.188 -19.477 1.00 3.55 O ATOM 1152 NE2 GLN A 507 11.711 -3.015 -18.657 1.00 42.35 N ATOM 0 H GLN A 507 7.536 -7.310 -16.988 1.00 31.20 H new ATOM 0 HA GLN A 507 9.773 -7.871 -18.859 1.00 64.25 H new ATOM 0 HB2 GLN A 507 8.684 -5.692 -19.292 1.00 21.41 H new ATOM 0 HB3 GLN A 507 8.849 -5.251 -17.604 1.00 21.41 H new ATOM 0 HG2 GLN A 507 11.349 -5.396 -17.858 1.00 11.22 H new ATOM 0 HG3 GLN A 507 11.125 -5.715 -19.566 1.00 11.22 H new ATOM 0 HE21 GLN A 507 12.518 -3.482 -18.244 1.00 42.35 H new ATOM 0 HE22 GLN A 507 11.733 -2.009 -18.821 1.00 42.35 H new ATOM 1161 N GLU A 508 11.459 -8.025 -17.008 1.00 24.52 N ATOM 1162 CA GLU A 508 12.405 -8.265 -15.911 1.00 63.52 C ATOM 1163 C GLU A 508 13.321 -7.056 -15.649 1.00 11.04 C ATOM 1164 O GLU A 508 13.606 -6.258 -16.543 1.00 33.14 O ATOM 1165 CB GLU A 508 13.223 -9.549 -16.163 1.00 64.11 C ATOM 1166 CG GLU A 508 13.611 -9.804 -17.621 1.00 60.35 C ATOM 1167 CD GLU A 508 14.527 -8.747 -18.216 1.00 50.13 C ATOM 1168 OE1 GLU A 508 15.608 -8.501 -17.645 1.00 65.13 O ATOM 1169 OE2 GLU A 508 14.177 -8.183 -19.278 1.00 61.33 O ATOM 0 H GLU A 508 11.803 -8.303 -17.927 1.00 24.52 H new ATOM 0 HA GLU A 508 11.816 -8.408 -15.005 1.00 63.52 H new ATOM 0 HB2 GLU A 508 14.133 -9.503 -15.565 1.00 64.11 H new ATOM 0 HB3 GLU A 508 12.648 -10.402 -15.803 1.00 64.11 H new ATOM 0 HG2 GLU A 508 14.102 -10.775 -17.690 1.00 60.35 H new ATOM 0 HG3 GLU A 508 12.703 -9.862 -18.222 1.00 60.35 H new ATOM 1176 N GLY A 509 13.748 -6.917 -14.398 1.00 44.03 N ATOM 1177 CA GLY A 509 14.579 -5.790 -13.993 1.00 41.14 C ATOM 1178 C GLY A 509 14.386 -5.429 -12.526 1.00 42.34 C ATOM 1179 O GLY A 509 13.770 -6.184 -11.771 1.00 34.13 O ATOM 0 H GLY A 509 13.532 -7.572 -13.647 1.00 44.03 H new ATOM 0 HA2 GLY A 509 15.627 -6.031 -14.171 1.00 41.14 H new ATOM 0 HA3 GLY A 509 14.342 -4.925 -14.612 1.00 41.14 H new ATOM 1183 N MET A 510 14.910 -4.278 -12.110 1.00 63.41 N ATOM 1184 CA MET A 510 14.762 -3.827 -10.721 1.00 3.31 C ATOM 1185 C MET A 510 13.554 -2.881 -10.571 1.00 12.15 C ATOM 1186 O MET A 510 13.463 -1.858 -11.253 1.00 31.15 O ATOM 1187 CB MET A 510 16.042 -3.128 -10.242 1.00 73.40 C ATOM 1188 CG MET A 510 16.068 -2.898 -8.739 1.00 53.01 C ATOM 1189 SD MET A 510 15.932 -4.445 -7.820 1.00 2.53 S ATOM 1190 CE MET A 510 15.866 -3.845 -6.135 1.00 63.13 C ATOM 0 H MET A 510 15.438 -3.642 -12.707 1.00 63.41 H new ATOM 0 HA MET A 510 14.588 -4.706 -10.101 1.00 3.31 H new ATOM 0 HB2 MET A 510 16.906 -3.729 -10.527 1.00 73.40 H new ATOM 0 HB3 MET A 510 16.138 -2.170 -10.752 1.00 73.40 H new ATOM 0 HG2 MET A 510 16.994 -2.393 -8.465 1.00 53.01 H new ATOM 0 HG3 MET A 510 15.249 -2.236 -8.459 1.00 53.01 H new ATOM 0 HE1 MET A 510 15.387 -4.591 -5.502 1.00 63.13 H new ATOM 0 HE2 MET A 510 16.878 -3.659 -5.775 1.00 63.13 H new ATOM 0 HE3 MET A 510 15.293 -2.918 -6.101 1.00 63.13 H new ATOM 1200 N TYR A 511 12.634 -3.221 -9.665 1.00 21.32 N ATOM 1201 CA TYR A 511 11.410 -2.430 -9.465 1.00 54.43 C ATOM 1202 C TYR A 511 11.203 -2.053 -7.991 1.00 45.20 C ATOM 1203 O TYR A 511 11.663 -2.749 -7.088 1.00 14.30 O ATOM 1204 CB TYR A 511 10.184 -3.205 -9.970 1.00 23.42 C ATOM 1205 CG TYR A 511 10.214 -3.488 -11.458 1.00 0.23 C ATOM 1206 CD1 TYR A 511 9.674 -2.586 -12.368 1.00 74.34 C ATOM 1207 CD2 TYR A 511 10.787 -4.654 -11.954 1.00 25.03 C ATOM 1208 CE1 TYR A 511 9.704 -2.838 -13.725 1.00 51.11 C ATOM 1209 CE2 TYR A 511 10.820 -4.911 -13.309 1.00 40.11 C ATOM 1210 CZ TYR A 511 10.278 -4.002 -14.189 1.00 21.14 C ATOM 1211 OH TYR A 511 10.312 -4.257 -15.537 1.00 30.15 O ATOM 0 H TYR A 511 12.710 -4.037 -9.058 1.00 21.32 H new ATOM 0 HA TYR A 511 11.527 -1.510 -10.037 1.00 54.43 H new ATOM 0 HB2 TYR A 511 10.115 -4.150 -9.431 1.00 23.42 H new ATOM 0 HB3 TYR A 511 9.284 -2.637 -9.735 1.00 23.42 H new ATOM 0 HD1 TYR A 511 9.224 -1.673 -12.007 1.00 74.34 H new ATOM 0 HD2 TYR A 511 11.213 -5.370 -11.267 1.00 25.03 H new ATOM 0 HE1 TYR A 511 9.280 -2.127 -14.419 1.00 51.11 H new ATOM 0 HE2 TYR A 511 11.269 -5.821 -13.678 1.00 40.11 H new ATOM 0 HH TYR A 511 10.017 -5.176 -15.704 1.00 30.15 H new ATOM 1221 N ARG A 512 10.511 -0.942 -7.761 1.00 21.22 N ATOM 1222 CA ARG A 512 10.147 -0.512 -6.406 1.00 20.32 C ATOM 1223 C ARG A 512 8.627 -0.328 -6.280 1.00 11.12 C ATOM 1224 O ARG A 512 8.022 0.447 -7.019 1.00 74.45 O ATOM 1225 CB ARG A 512 10.882 0.789 -6.036 1.00 5.00 C ATOM 1226 CG ARG A 512 10.332 1.482 -4.788 1.00 43.14 C ATOM 1227 CD ARG A 512 11.282 2.554 -4.256 1.00 63.33 C ATOM 1228 NE ARG A 512 12.416 1.971 -3.542 1.00 1.52 N ATOM 1229 CZ ARG A 512 13.206 2.632 -2.743 1.00 31.42 C ATOM 1230 NH1 ARG A 512 13.095 3.916 -2.609 1.00 43.04 N ATOM 1231 NH2 ARG A 512 14.117 1.996 -2.084 1.00 2.23 N ATOM 0 H ARG A 512 10.187 -0.316 -8.498 1.00 21.22 H new ATOM 0 HA ARG A 512 10.453 -1.292 -5.709 1.00 20.32 H new ATOM 0 HB2 ARG A 512 11.937 0.566 -5.880 1.00 5.00 H new ATOM 0 HB3 ARG A 512 10.823 1.479 -6.878 1.00 5.00 H new ATOM 0 HG2 ARG A 512 9.369 1.936 -5.021 1.00 43.14 H new ATOM 0 HG3 ARG A 512 10.154 0.739 -4.011 1.00 43.14 H new ATOM 0 HD2 ARG A 512 11.648 3.159 -5.086 1.00 63.33 H new ATOM 0 HD3 ARG A 512 10.738 3.223 -3.589 1.00 63.33 H new ATOM 0 HE ARG A 512 12.602 0.977 -3.678 1.00 1.52 H new ATOM 0 HH11 ARG A 512 12.382 4.424 -3.133 1.00 43.04 H new ATOM 0 HH12 ARG A 512 13.721 4.419 -1.980 1.00 43.04 H new ATOM 0 HH21 ARG A 512 14.213 0.986 -2.192 1.00 2.23 H new ATOM 0 HH22 ARG A 512 14.740 2.504 -1.456 1.00 2.23 H new ATOM 1245 N ILE A 513 8.021 -1.051 -5.340 1.00 72.14 N ATOM 1246 CA ILE A 513 6.579 -0.972 -5.096 1.00 20.03 C ATOM 1247 C ILE A 513 6.274 -0.137 -3.840 1.00 22.41 C ATOM 1248 O ILE A 513 6.774 -0.424 -2.751 1.00 70.15 O ATOM 1249 CB ILE A 513 5.963 -2.388 -4.936 1.00 65.10 C ATOM 1250 CG1 ILE A 513 6.207 -3.224 -6.206 1.00 55.44 C ATOM 1251 CG2 ILE A 513 4.469 -2.294 -4.625 1.00 61.22 C ATOM 1252 CD1 ILE A 513 5.628 -4.626 -6.145 1.00 44.41 C ATOM 0 H ILE A 513 8.511 -1.705 -4.729 1.00 72.14 H new ATOM 0 HA ILE A 513 6.131 -0.485 -5.962 1.00 20.03 H new ATOM 0 HB ILE A 513 6.451 -2.886 -4.098 1.00 65.10 H new ATOM 0 HG12 ILE A 513 5.777 -2.701 -7.060 1.00 55.44 H new ATOM 0 HG13 ILE A 513 7.280 -3.293 -6.382 1.00 55.44 H new ATOM 0 HG21 ILE A 513 4.056 -3.297 -4.517 1.00 61.22 H new ATOM 0 HG22 ILE A 513 4.325 -1.740 -3.698 1.00 61.22 H new ATOM 0 HG23 ILE A 513 3.960 -1.778 -5.439 1.00 61.22 H new ATOM 0 HD11 ILE A 513 5.843 -5.149 -7.077 1.00 44.41 H new ATOM 0 HD12 ILE A 513 6.076 -5.169 -5.313 1.00 44.41 H new ATOM 0 HD13 ILE A 513 4.549 -4.568 -6.002 1.00 44.41 H new ATOM 1264 N ASN A 514 5.457 0.899 -4.003 1.00 73.33 N ATOM 1265 CA ASN A 514 5.064 1.766 -2.885 1.00 54.23 C ATOM 1266 C ASN A 514 3.543 1.753 -2.673 1.00 51.11 C ATOM 1267 O ASN A 514 2.773 1.777 -3.634 1.00 75.03 O ATOM 1268 CB ASN A 514 5.529 3.205 -3.140 1.00 52.52 C ATOM 1269 CG ASN A 514 7.039 3.325 -3.235 1.00 22.52 C ATOM 1270 OD1 ASN A 514 7.687 3.561 -2.111 1.00 51.31 O flip ATOM 1271 ND2 ASN A 514 7.620 3.200 -4.309 1.00 23.43 N flip ATOM 0 H ASN A 514 5.050 1.163 -4.900 1.00 73.33 H new ATOM 0 HA ASN A 514 5.542 1.379 -1.985 1.00 54.23 H new ATOM 0 HB2 ASN A 514 5.081 3.569 -4.065 1.00 52.52 H new ATOM 0 HB3 ASN A 514 5.168 3.847 -2.337 1.00 52.52 H new ATOM 0 HD21 ASN A 514 7.087 3.018 -5.159 1.00 23.43 H new ATOM 0 HD22 ASN A 514 8.636 3.278 -4.351 1.00 23.43 H new ATOM 1278 N ALA A 515 3.113 1.717 -1.413 1.00 70.31 N ATOM 1279 CA ALA A 515 1.690 1.821 -1.079 1.00 42.00 C ATOM 1280 C ALA A 515 1.406 3.136 -0.348 1.00 25.12 C ATOM 1281 O ALA A 515 2.133 3.520 0.571 1.00 34.32 O ATOM 1282 CB ALA A 515 1.234 0.637 -0.230 1.00 22.12 C ATOM 0 H ALA A 515 3.728 1.617 -0.605 1.00 70.31 H new ATOM 0 HA ALA A 515 1.126 1.807 -2.012 1.00 42.00 H new ATOM 0 HB1 ALA A 515 0.174 0.742 0.002 1.00 22.12 H new ATOM 0 HB2 ALA A 515 1.395 -0.289 -0.781 1.00 22.12 H new ATOM 0 HB3 ALA A 515 1.807 0.612 0.697 1.00 22.12 H new ATOM 1288 N THR A 516 0.352 3.819 -0.764 1.00 23.25 N ATOM 1289 CA THR A 516 -0.020 5.113 -0.192 1.00 2.13 C ATOM 1290 C THR A 516 -1.450 5.090 0.347 1.00 14.21 C ATOM 1291 O THR A 516 -2.325 4.431 -0.219 1.00 74.53 O ATOM 1292 CB THR A 516 0.075 6.234 -1.250 1.00 34.31 C ATOM 1293 OG1 THR A 516 -0.825 5.951 -2.337 1.00 55.24 O ATOM 1294 CG2 THR A 516 1.497 6.374 -1.785 1.00 34.45 C ATOM 0 H THR A 516 -0.271 3.498 -1.505 1.00 23.25 H new ATOM 0 HA THR A 516 0.678 5.309 0.622 1.00 2.13 H new ATOM 0 HB THR A 516 -0.203 7.174 -0.774 1.00 34.31 H new ATOM 0 HG1 THR A 516 -0.359 5.422 -3.018 1.00 55.24 H new ATOM 0 HG21 THR A 516 1.530 7.171 -2.528 1.00 34.45 H new ATOM 0 HG22 THR A 516 2.173 6.615 -0.964 1.00 34.45 H new ATOM 0 HG23 THR A 516 1.806 5.436 -2.246 1.00 34.45 H new ATOM 1302 N VAL A 517 -1.687 5.797 1.445 1.00 10.00 N ATOM 1303 CA VAL A 517 -3.043 5.951 1.975 1.00 60.22 C ATOM 1304 C VAL A 517 -3.448 7.435 2.041 1.00 63.15 C ATOM 1305 O VAL A 517 -2.643 8.288 2.414 1.00 21.34 O ATOM 1306 CB VAL A 517 -3.178 5.293 3.374 1.00 25.41 C ATOM 1307 CG1 VAL A 517 -2.189 5.896 4.366 1.00 23.20 C ATOM 1308 CG2 VAL A 517 -4.609 5.401 3.892 1.00 62.11 C ATOM 0 H VAL A 517 -0.964 6.272 1.986 1.00 10.00 H new ATOM 0 HA VAL A 517 -3.720 5.440 1.291 1.00 60.22 H new ATOM 0 HB VAL A 517 -2.937 4.235 3.269 1.00 25.41 H new ATOM 0 HG11 VAL A 517 -2.308 5.415 5.337 1.00 23.20 H new ATOM 0 HG12 VAL A 517 -1.172 5.740 4.006 1.00 23.20 H new ATOM 0 HG13 VAL A 517 -2.379 6.965 4.465 1.00 23.20 H new ATOM 0 HG21 VAL A 517 -4.677 4.932 4.874 1.00 62.11 H new ATOM 0 HG22 VAL A 517 -4.889 6.451 3.971 1.00 62.11 H new ATOM 0 HG23 VAL A 517 -5.285 4.896 3.202 1.00 62.11 H new ATOM 1318 N ASP A 518 -4.707 7.711 1.683 1.00 22.14 N ATOM 1319 CA ASP A 518 -5.253 9.076 1.587 1.00 55.52 C ATOM 1320 C ASP A 518 -4.219 10.102 1.059 1.00 30.23 C ATOM 1321 O ASP A 518 -3.870 11.063 1.748 1.00 42.40 O ATOM 1322 CB ASP A 518 -5.842 9.537 2.935 1.00 74.31 C ATOM 1323 CG ASP A 518 -6.789 10.727 2.782 1.00 2.12 C ATOM 1324 OD1 ASP A 518 -7.041 11.152 1.633 1.00 2.32 O ATOM 1325 OD2 ASP A 518 -7.293 11.239 3.806 1.00 63.21 O ATOM 0 H ASP A 518 -5.386 6.987 1.448 1.00 22.14 H new ATOM 0 HA ASP A 518 -6.057 9.033 0.853 1.00 55.52 H new ATOM 0 HB2 ASP A 518 -6.377 8.707 3.397 1.00 74.31 H new ATOM 0 HB3 ASP A 518 -5.030 9.807 3.610 1.00 74.31 H new ATOM 1330 N GLU A 519 -3.727 9.890 -0.169 1.00 4.44 N ATOM 1331 CA GLU A 519 -2.850 10.876 -0.831 1.00 10.41 C ATOM 1332 C GLU A 519 -3.550 12.226 -0.967 1.00 65.11 C ATOM 1333 O GLU A 519 -2.914 13.278 -0.920 1.00 60.44 O ATOM 1334 CB GLU A 519 -2.424 10.406 -2.224 1.00 75.21 C ATOM 1335 CG GLU A 519 -1.383 9.301 -2.227 1.00 50.15 C ATOM 1336 CD GLU A 519 -0.966 8.931 -3.635 1.00 53.52 C ATOM 1337 OE1 GLU A 519 -0.056 9.582 -4.186 1.00 34.51 O ATOM 1338 OE2 GLU A 519 -1.581 8.016 -4.212 1.00 61.43 O ATOM 0 H GLU A 519 -3.916 9.055 -0.723 1.00 4.44 H new ATOM 0 HA GLU A 519 -1.966 10.980 -0.202 1.00 10.41 H new ATOM 0 HB2 GLU A 519 -3.306 10.058 -2.761 1.00 75.21 H new ATOM 0 HB3 GLU A 519 -2.031 11.259 -2.777 1.00 75.21 H new ATOM 0 HG2 GLU A 519 -0.509 9.622 -1.661 1.00 50.15 H new ATOM 0 HG3 GLU A 519 -1.784 8.422 -1.723 1.00 50.15 H new ATOM 1345 N GLU A 520 -4.865 12.182 -1.144 1.00 41.22 N ATOM 1346 CA GLU A 520 -5.667 13.396 -1.243 1.00 62.22 C ATOM 1347 C GLU A 520 -5.642 14.134 0.104 1.00 65.31 C ATOM 1348 O GLU A 520 -5.843 15.350 0.170 1.00 22.22 O ATOM 1349 CB GLU A 520 -7.117 13.043 -1.625 1.00 64.23 C ATOM 1350 CG GLU A 520 -7.248 11.948 -2.688 1.00 51.42 C ATOM 1351 CD GLU A 520 -6.489 12.245 -3.976 1.00 61.12 C ATOM 1352 OE1 GLU A 520 -6.929 13.122 -4.747 1.00 35.50 O ATOM 1353 OE2 GLU A 520 -5.452 11.592 -4.230 1.00 23.34 O ATOM 0 H GLU A 520 -5.400 11.317 -1.222 1.00 41.22 H new ATOM 0 HA GLU A 520 -5.251 14.041 -2.017 1.00 62.22 H new ATOM 0 HB2 GLU A 520 -7.648 12.725 -0.728 1.00 64.23 H new ATOM 0 HB3 GLU A 520 -7.613 13.944 -1.987 1.00 64.23 H new ATOM 0 HG2 GLU A 520 -6.886 11.007 -2.273 1.00 51.42 H new ATOM 0 HG3 GLU A 520 -8.303 11.808 -2.923 1.00 51.42 H new ATOM 1360 N ASN A 521 -5.384 13.363 1.165 1.00 72.22 N ATOM 1361 CA ASN A 521 -5.254 13.865 2.530 1.00 13.33 C ATOM 1362 C ASN A 521 -6.450 14.739 2.903 1.00 72.43 C ATOM 1363 O ASN A 521 -6.369 15.970 2.939 1.00 61.31 O ATOM 1364 CB ASN A 521 -3.923 14.606 2.724 1.00 13.12 C ATOM 1365 CG ASN A 521 -3.411 14.523 4.154 1.00 31.32 C ATOM 1366 OD1 ASN A 521 -3.626 13.391 4.802 1.00 5.42 O flip ATOM 1367 ND2 ASN A 521 -2.801 15.461 4.664 1.00 61.32 N flip ATOM 0 H ASN A 521 -5.258 12.353 1.094 1.00 72.22 H new ATOM 0 HA ASN A 521 -5.248 13.011 3.208 1.00 13.33 H new ATOM 0 HB2 ASN A 521 -3.176 14.187 2.050 1.00 13.12 H new ATOM 0 HB3 ASN A 521 -4.050 15.653 2.448 1.00 13.12 H new ATOM 0 HD21 ASN A 521 -2.653 16.321 4.135 1.00 61.32 H new ATOM 0 HD22 ASN A 521 -2.443 15.379 5.616 1.00 61.32 H new ATOM 1374 N THR A 522 -7.572 14.077 3.137 1.00 40.23 N ATOM 1375 CA THR A 522 -8.832 14.747 3.460 1.00 21.44 C ATOM 1376 C THR A 522 -8.932 15.058 4.955 1.00 51.43 C ATOM 1377 O THR A 522 -9.827 15.785 5.396 1.00 54.11 O ATOM 1378 CB THR A 522 -10.036 13.859 3.078 1.00 64.13 C ATOM 1379 OG1 THR A 522 -10.110 12.729 3.966 1.00 31.11 O ATOM 1380 CG2 THR A 522 -9.926 13.364 1.639 1.00 22.05 C ATOM 0 H THR A 522 -7.640 13.060 3.110 1.00 40.23 H new ATOM 0 HA THR A 522 -8.850 15.676 2.890 1.00 21.44 H new ATOM 0 HB THR A 522 -10.939 14.462 3.167 1.00 64.13 H new ATOM 0 HG1 THR A 522 -9.261 12.241 3.945 1.00 31.11 H new ATOM 0 HG21 THR A 522 -10.789 12.742 1.401 1.00 22.05 H new ATOM 0 HG22 THR A 522 -9.897 14.218 0.962 1.00 22.05 H new ATOM 0 HG23 THR A 522 -9.014 12.778 1.524 1.00 22.05 H new ATOM 1388 N VAL A 523 -8.009 14.496 5.728 1.00 43.04 N ATOM 1389 CA VAL A 523 -8.068 14.564 7.191 1.00 1.23 C ATOM 1390 C VAL A 523 -6.701 14.906 7.815 1.00 42.33 C ATOM 1391 O VAL A 523 -5.652 14.503 7.309 1.00 12.24 O ATOM 1392 CB VAL A 523 -8.598 13.224 7.766 1.00 33.42 C ATOM 1393 CG1 VAL A 523 -7.668 12.059 7.409 1.00 30.22 C ATOM 1394 CG2 VAL A 523 -8.815 13.325 9.274 1.00 11.21 C ATOM 0 H VAL A 523 -7.204 13.984 5.366 1.00 43.04 H new ATOM 0 HA VAL A 523 -8.754 15.370 7.452 1.00 1.23 H new ATOM 0 HB VAL A 523 -9.565 13.020 7.305 1.00 33.42 H new ATOM 0 HG11 VAL A 523 -8.067 11.134 7.826 1.00 30.22 H new ATOM 0 HG12 VAL A 523 -7.599 11.968 6.325 1.00 30.22 H new ATOM 0 HG13 VAL A 523 -6.676 12.245 7.822 1.00 30.22 H new ATOM 0 HG21 VAL A 523 -9.187 12.373 9.653 1.00 11.21 H new ATOM 0 HG22 VAL A 523 -7.871 13.566 9.762 1.00 11.21 H new ATOM 0 HG23 VAL A 523 -9.543 14.108 9.485 1.00 11.21 H new ATOM 1404 N VAL A 524 -6.716 15.689 8.895 1.00 1.43 N ATOM 1405 CA VAL A 524 -5.487 16.048 9.617 1.00 2.23 C ATOM 1406 C VAL A 524 -5.083 14.929 10.594 1.00 30.34 C ATOM 1407 O VAL A 524 -5.799 14.633 11.555 1.00 63.03 O ATOM 1408 CB VAL A 524 -5.654 17.383 10.390 1.00 23.11 C ATOM 1409 CG1 VAL A 524 -4.363 17.758 11.119 1.00 35.50 C ATOM 1410 CG2 VAL A 524 -6.091 18.502 9.442 1.00 63.43 C ATOM 0 H VAL A 524 -7.566 16.089 9.292 1.00 1.43 H new ATOM 0 HA VAL A 524 -4.699 16.176 8.875 1.00 2.23 H new ATOM 0 HB VAL A 524 -6.433 17.247 11.140 1.00 23.11 H new ATOM 0 HG11 VAL A 524 -4.506 18.697 11.653 1.00 35.50 H new ATOM 0 HG12 VAL A 524 -4.105 16.973 11.829 1.00 35.50 H new ATOM 0 HG13 VAL A 524 -3.556 17.872 10.395 1.00 35.50 H new ATOM 0 HG21 VAL A 524 -6.203 19.430 10.002 1.00 63.43 H new ATOM 0 HG22 VAL A 524 -5.338 18.635 8.665 1.00 63.43 H new ATOM 0 HG23 VAL A 524 -7.044 18.238 8.983 1.00 63.43 H new ATOM 1420 N GLU A 525 -3.929 14.314 10.338 1.00 10.35 N ATOM 1421 CA GLU A 525 -3.492 13.120 11.077 1.00 15.34 C ATOM 1422 C GLU A 525 -2.341 13.412 12.056 1.00 50.21 C ATOM 1423 O GLU A 525 -1.875 14.549 12.173 1.00 33.32 O ATOM 1424 CB GLU A 525 -3.060 12.049 10.072 1.00 63.32 C ATOM 1425 CG GLU A 525 -4.159 11.670 9.088 1.00 33.41 C ATOM 1426 CD GLU A 525 -3.649 10.798 7.957 1.00 1.30 C ATOM 1427 OE1 GLU A 525 -3.581 9.566 8.141 1.00 33.53 O ATOM 1428 OE2 GLU A 525 -3.297 11.351 6.893 1.00 10.23 O ATOM 0 H GLU A 525 -3.273 14.622 9.620 1.00 10.35 H new ATOM 0 HA GLU A 525 -4.333 12.773 11.677 1.00 15.34 H new ATOM 0 HB2 GLU A 525 -2.193 12.409 9.518 1.00 63.32 H new ATOM 0 HB3 GLU A 525 -2.744 11.158 10.614 1.00 63.32 H new ATOM 0 HG2 GLU A 525 -4.952 11.144 9.619 1.00 33.41 H new ATOM 0 HG3 GLU A 525 -4.600 12.577 8.673 1.00 33.41 H new ATOM 1435 N LEU A 526 -1.892 12.369 12.759 1.00 22.45 N ATOM 1436 CA LEU A 526 -0.798 12.486 13.738 1.00 24.15 C ATOM 1437 C LEU A 526 0.582 12.570 13.062 1.00 42.40 C ATOM 1438 O LEU A 526 1.453 13.318 13.508 1.00 70.23 O ATOM 1439 CB LEU A 526 -0.831 11.289 14.700 1.00 51.01 C ATOM 1440 CG LEU A 526 -2.082 11.199 15.595 1.00 74.21 C ATOM 1441 CD1 LEU A 526 -2.086 9.897 16.392 1.00 63.24 C ATOM 1442 CD2 LEU A 526 -2.160 12.403 16.535 1.00 11.35 C ATOM 0 H LEU A 526 -2.270 11.426 12.670 1.00 22.45 H new ATOM 0 HA LEU A 526 -0.951 13.414 14.289 1.00 24.15 H new ATOM 0 HB2 LEU A 526 -0.756 10.372 14.116 1.00 51.01 H new ATOM 0 HB3 LEU A 526 0.051 11.333 15.339 1.00 51.01 H new ATOM 0 HG LEU A 526 -2.961 11.207 14.951 1.00 74.21 H new ATOM 0 HD11 LEU A 526 -2.978 9.855 17.017 1.00 63.24 H new ATOM 0 HD12 LEU A 526 -2.084 9.050 15.706 1.00 63.24 H new ATOM 0 HD13 LEU A 526 -1.199 9.854 17.024 1.00 63.24 H new ATOM 0 HD21 LEU A 526 -3.050 12.321 17.159 1.00 11.35 H new ATOM 0 HD22 LEU A 526 -1.274 12.428 17.169 1.00 11.35 H new ATOM 0 HD23 LEU A 526 -2.212 13.320 15.948 1.00 11.35 H new ATOM 1454 N ASN A 527 0.781 11.799 11.993 1.00 12.41 N ATOM 1455 CA ASN A 527 2.054 11.805 11.258 1.00 2.22 C ATOM 1456 C ASN A 527 1.829 11.666 9.744 1.00 51.10 C ATOM 1457 O ASN A 527 1.226 10.705 9.276 1.00 24.25 O ATOM 1458 CB ASN A 527 2.972 10.687 11.774 1.00 22.22 C ATOM 1459 CG ASN A 527 4.274 10.581 10.994 1.00 72.10 C ATOM 1460 OD1 ASN A 527 4.727 11.539 10.376 1.00 2.12 O ATOM 1461 ND2 ASN A 527 4.893 9.418 11.028 1.00 40.14 N ATOM 0 H ASN A 527 0.080 11.162 11.614 1.00 12.41 H new ATOM 0 HA ASN A 527 2.538 12.766 11.432 1.00 2.22 H new ATOM 0 HB2 ASN A 527 3.198 10.866 12.825 1.00 22.22 H new ATOM 0 HB3 ASN A 527 2.443 9.735 11.719 1.00 22.22 H new ATOM 0 HD21 ASN A 527 5.775 9.295 10.531 1.00 40.14 H new ATOM 0 HD22 ASN A 527 4.490 8.641 11.551 1.00 40.14 H new ATOM 1468 N GLU A 528 2.355 12.624 8.987 1.00 44.13 N ATOM 1469 CA GLU A 528 2.139 12.691 7.537 1.00 20.12 C ATOM 1470 C GLU A 528 3.129 11.794 6.764 1.00 12.35 C ATOM 1471 O GLU A 528 2.878 11.409 5.620 1.00 4.50 O ATOM 1472 CB GLU A 528 2.238 14.160 7.088 1.00 31.22 C ATOM 1473 CG GLU A 528 2.101 14.395 5.581 1.00 11.32 C ATOM 1474 CD GLU A 528 3.445 14.554 4.882 1.00 31.52 C ATOM 1475 OE1 GLU A 528 4.122 15.576 5.122 1.00 45.22 O ATOM 1476 OE2 GLU A 528 3.827 13.668 4.086 1.00 54.40 O ATOM 0 H GLU A 528 2.941 13.374 9.354 1.00 44.13 H new ATOM 0 HA GLU A 528 1.144 12.309 7.309 1.00 20.12 H new ATOM 0 HB2 GLU A 528 1.464 14.732 7.600 1.00 31.22 H new ATOM 0 HB3 GLU A 528 3.198 14.559 7.415 1.00 31.22 H new ATOM 0 HG2 GLU A 528 1.562 13.559 5.135 1.00 11.32 H new ATOM 0 HG3 GLU A 528 1.500 15.289 5.411 1.00 11.32 H new ATOM 1483 N ASN A 529 4.246 11.439 7.398 1.00 42.25 N ATOM 1484 CA ASN A 529 5.230 10.542 6.769 1.00 62.23 C ATOM 1485 C ASN A 529 4.859 9.066 6.997 1.00 55.02 C ATOM 1486 O ASN A 529 5.584 8.158 6.591 1.00 55.52 O ATOM 1487 CB ASN A 529 6.636 10.814 7.316 1.00 40.21 C ATOM 1488 CG ASN A 529 7.042 12.267 7.170 1.00 4.42 C ATOM 1489 OD1 ASN A 529 7.517 12.694 6.123 1.00 53.41 O ATOM 1490 ND2 ASN A 529 6.882 13.036 8.228 1.00 24.05 N ATOM 0 H ASN A 529 4.496 11.752 8.336 1.00 42.25 H new ATOM 0 HA ASN A 529 5.221 10.740 5.697 1.00 62.23 H new ATOM 0 HB2 ASN A 529 6.674 10.533 8.368 1.00 40.21 H new ATOM 0 HB3 ASN A 529 7.355 10.184 6.792 1.00 40.21 H new ATOM 0 HD21 ASN A 529 7.156 14.018 8.191 1.00 24.05 H new ATOM 0 HD22 ASN A 529 6.484 12.650 9.084 1.00 24.05 H new ATOM 1497 N ASN A 530 3.716 8.841 7.637 1.00 64.34 N ATOM 1498 CA ASN A 530 3.261 7.492 7.991 1.00 62.41 C ATOM 1499 C ASN A 530 2.356 6.896 6.890 1.00 2.03 C ATOM 1500 O ASN A 530 2.096 5.694 6.860 1.00 43.52 O ATOM 1501 CB ASN A 530 2.511 7.568 9.330 1.00 44.14 C ATOM 1502 CG ASN A 530 2.252 6.213 9.958 1.00 71.40 C ATOM 1503 OD1 ASN A 530 3.016 5.269 9.781 1.00 72.15 O ATOM 1504 ND2 ASN A 530 1.179 6.112 10.716 1.00 41.22 N ATOM 0 H ASN A 530 3.078 9.582 7.926 1.00 64.34 H new ATOM 0 HA ASN A 530 4.124 6.833 8.084 1.00 62.41 H new ATOM 0 HB2 ASN A 530 3.088 8.177 10.026 1.00 44.14 H new ATOM 0 HB3 ASN A 530 1.559 8.075 9.175 1.00 44.14 H new ATOM 0 HD21 ASN A 530 0.962 5.229 11.177 1.00 41.22 H new ATOM 0 HD22 ASN A 530 0.565 6.917 10.841 1.00 41.22 H new ATOM 1511 N ASN A 531 1.913 7.752 5.968 1.00 62.53 N ATOM 1512 CA ASN A 531 0.946 7.369 4.928 1.00 10.23 C ATOM 1513 C ASN A 531 1.583 6.591 3.756 1.00 35.45 C ATOM 1514 O ASN A 531 0.887 6.218 2.809 1.00 51.44 O ATOM 1515 CB ASN A 531 0.266 8.630 4.380 1.00 21.42 C ATOM 1516 CG ASN A 531 -0.378 9.467 5.471 1.00 35.00 C ATOM 1517 OD1 ASN A 531 -1.657 9.262 5.707 1.00 64.10 O flip ATOM 1518 ND2 ASN A 531 0.274 10.304 6.085 1.00 14.53 N flip ATOM 0 H ASN A 531 2.210 8.726 5.918 1.00 62.53 H new ATOM 0 HA ASN A 531 0.224 6.702 5.399 1.00 10.23 H new ATOM 0 HB2 ASN A 531 1.002 9.234 3.850 1.00 21.42 H new ATOM 0 HB3 ASN A 531 -0.493 8.342 3.652 1.00 21.42 H new ATOM 0 HD21 ASN A 531 1.263 10.435 5.874 1.00 14.53 H new ATOM 0 HD22 ASN A 531 -0.173 10.870 6.806 1.00 14.53 H new ATOM 1525 N VAL A 532 2.896 6.350 3.806 1.00 71.15 N ATOM 1526 CA VAL A 532 3.605 5.700 2.686 1.00 22.33 C ATOM 1527 C VAL A 532 4.492 4.526 3.148 1.00 75.20 C ATOM 1528 O VAL A 532 5.222 4.632 4.134 1.00 10.40 O ATOM 1529 CB VAL A 532 4.490 6.718 1.910 1.00 25.22 C ATOM 1530 CG1 VAL A 532 5.200 6.044 0.732 1.00 3.11 C ATOM 1531 CG2 VAL A 532 3.660 7.908 1.429 1.00 1.21 C ATOM 0 H VAL A 532 3.490 6.590 4.599 1.00 71.15 H new ATOM 0 HA VAL A 532 2.827 5.309 2.030 1.00 22.33 H new ATOM 0 HB VAL A 532 5.251 7.089 2.597 1.00 25.22 H new ATOM 0 HG11 VAL A 532 5.811 6.778 0.207 1.00 3.11 H new ATOM 0 HG12 VAL A 532 5.836 5.240 1.102 1.00 3.11 H new ATOM 0 HG13 VAL A 532 4.458 5.633 0.047 1.00 3.11 H new ATOM 0 HG21 VAL A 532 4.302 8.605 0.890 1.00 1.21 H new ATOM 0 HG22 VAL A 532 2.869 7.556 0.767 1.00 1.21 H new ATOM 0 HG23 VAL A 532 3.217 8.413 2.287 1.00 1.21 H new ATOM 1541 N ALA A 533 4.423 3.410 2.413 1.00 54.11 N ATOM 1542 CA ALA A 533 5.290 2.242 2.655 1.00 61.51 C ATOM 1543 C ALA A 533 6.105 1.894 1.396 1.00 62.52 C ATOM 1544 O ALA A 533 5.603 2.000 0.275 1.00 73.44 O ATOM 1545 CB ALA A 533 4.458 1.041 3.097 1.00 11.22 C ATOM 0 H ALA A 533 3.771 3.287 1.638 1.00 54.11 H new ATOM 0 HA ALA A 533 5.987 2.497 3.454 1.00 61.51 H new ATOM 0 HB1 ALA A 533 5.114 0.188 3.271 1.00 11.22 H new ATOM 0 HB2 ALA A 533 3.928 1.285 4.018 1.00 11.22 H new ATOM 0 HB3 ALA A 533 3.737 0.791 2.318 1.00 11.22 H new ATOM 1551 N THR A 534 7.359 1.471 1.584 1.00 31.33 N ATOM 1552 CA THR A 534 8.269 1.197 0.454 1.00 61.13 C ATOM 1553 C THR A 534 8.834 -0.233 0.483 1.00 73.41 C ATOM 1554 O THR A 534 9.424 -0.660 1.474 1.00 11.33 O ATOM 1555 CB THR A 534 9.459 2.190 0.444 1.00 2.14 C ATOM 1556 OG1 THR A 534 8.981 3.539 0.328 1.00 44.34 O ATOM 1557 CG2 THR A 534 10.423 1.897 -0.704 1.00 33.31 C ATOM 0 H THR A 534 7.771 1.310 2.503 1.00 31.33 H new ATOM 0 HA THR A 534 7.668 1.317 -0.447 1.00 61.13 H new ATOM 0 HB THR A 534 9.994 2.068 1.386 1.00 2.14 H new ATOM 0 HG1 THR A 534 8.475 3.636 -0.505 1.00 44.34 H new ATOM 0 HG21 THR A 534 11.245 2.612 -0.680 1.00 33.31 H new ATOM 0 HG22 THR A 534 10.818 0.887 -0.598 1.00 33.31 H new ATOM 0 HG23 THR A 534 9.895 1.983 -1.654 1.00 33.31 H new ATOM 1565 N PHE A 535 8.668 -0.962 -0.623 1.00 60.13 N ATOM 1566 CA PHE A 535 9.219 -2.320 -0.755 1.00 41.21 C ATOM 1567 C PHE A 535 9.793 -2.547 -2.166 1.00 73.31 C ATOM 1568 O PHE A 535 9.092 -2.385 -3.163 1.00 44.11 O ATOM 1569 CB PHE A 535 8.130 -3.361 -0.451 1.00 74.11 C ATOM 1570 CG PHE A 535 8.625 -4.790 -0.440 1.00 23.50 C ATOM 1571 CD1 PHE A 535 9.295 -5.298 0.666 1.00 73.30 C ATOM 1572 CD2 PHE A 535 8.422 -5.625 -1.533 1.00 50.53 C ATOM 1573 CE1 PHE A 535 9.748 -6.605 0.679 1.00 44.34 C ATOM 1574 CE2 PHE A 535 8.875 -6.931 -1.521 1.00 5.52 C ATOM 1575 CZ PHE A 535 9.539 -7.421 -0.414 1.00 50.53 C ATOM 0 H PHE A 535 8.156 -0.637 -1.443 1.00 60.13 H new ATOM 0 HA PHE A 535 10.031 -2.432 -0.036 1.00 41.21 H new ATOM 0 HB2 PHE A 535 7.687 -3.134 0.519 1.00 74.11 H new ATOM 0 HB3 PHE A 535 7.337 -3.269 -1.193 1.00 74.11 H new ATOM 0 HD1 PHE A 535 9.464 -4.666 1.525 1.00 73.30 H new ATOM 0 HD2 PHE A 535 7.904 -5.248 -2.403 1.00 50.53 H new ATOM 0 HE1 PHE A 535 10.266 -6.987 1.546 1.00 44.34 H new ATOM 0 HE2 PHE A 535 8.710 -7.568 -2.377 1.00 5.52 H new ATOM 0 HZ PHE A 535 9.894 -8.441 -0.404 1.00 50.53 H new ATOM 1585 N ASP A 536 11.070 -2.917 -2.244 1.00 53.44 N ATOM 1586 CA ASP A 536 11.736 -3.138 -3.535 1.00 23.40 C ATOM 1587 C ASP A 536 11.679 -4.615 -3.967 1.00 20.30 C ATOM 1588 O ASP A 536 11.892 -5.519 -3.161 1.00 51.01 O ATOM 1589 CB ASP A 536 13.191 -2.664 -3.461 1.00 45.42 C ATOM 1590 CG ASP A 536 13.301 -1.155 -3.319 1.00 71.11 C ATOM 1591 OD1 ASP A 536 12.968 -0.623 -2.241 1.00 15.14 O ATOM 1592 OD2 ASP A 536 13.731 -0.491 -4.286 1.00 41.44 O ATOM 0 H ASP A 536 11.667 -3.071 -1.432 1.00 53.44 H new ATOM 0 HA ASP A 536 11.202 -2.557 -4.287 1.00 23.40 H new ATOM 0 HB2 ASP A 536 13.684 -3.143 -2.615 1.00 45.42 H new ATOM 0 HB3 ASP A 536 13.720 -2.981 -4.360 1.00 45.42 H new ATOM 1597 N VAL A 537 11.400 -4.843 -5.250 1.00 3.15 N ATOM 1598 CA VAL A 537 11.286 -6.198 -5.805 1.00 54.22 C ATOM 1599 C VAL A 537 12.255 -6.407 -6.984 1.00 13.04 C ATOM 1600 O VAL A 537 12.334 -5.580 -7.896 1.00 21.25 O ATOM 1601 CB VAL A 537 9.838 -6.486 -6.282 1.00 71.50 C ATOM 1602 CG1 VAL A 537 9.716 -7.902 -6.845 1.00 33.00 C ATOM 1603 CG2 VAL A 537 8.839 -6.265 -5.146 1.00 54.42 C ATOM 0 H VAL A 537 11.247 -4.101 -5.933 1.00 3.15 H new ATOM 0 HA VAL A 537 11.547 -6.890 -5.005 1.00 54.22 H new ATOM 0 HB VAL A 537 9.603 -5.786 -7.083 1.00 71.50 H new ATOM 0 HG11 VAL A 537 8.691 -8.077 -7.172 1.00 33.00 H new ATOM 0 HG12 VAL A 537 10.391 -8.016 -7.693 1.00 33.00 H new ATOM 0 HG13 VAL A 537 9.979 -8.625 -6.072 1.00 33.00 H new ATOM 0 HG21 VAL A 537 7.830 -6.473 -5.503 1.00 54.42 H new ATOM 0 HG22 VAL A 537 9.076 -6.933 -4.318 1.00 54.42 H new ATOM 0 HG23 VAL A 537 8.898 -5.231 -4.806 1.00 54.42 H new ATOM 1613 N SER A 538 12.982 -7.522 -6.960 1.00 30.14 N ATOM 1614 CA SER A 538 13.922 -7.873 -8.035 1.00 4.55 C ATOM 1615 C SER A 538 13.307 -8.908 -8.987 1.00 5.22 C ATOM 1616 O SER A 538 12.977 -10.023 -8.578 1.00 1.23 O ATOM 1617 CB SER A 538 15.227 -8.429 -7.450 1.00 30.31 C ATOM 1618 OG SER A 538 16.142 -8.793 -8.472 1.00 2.23 O ATOM 0 H SER A 538 12.941 -8.206 -6.204 1.00 30.14 H new ATOM 0 HA SER A 538 14.138 -6.964 -8.596 1.00 4.55 H new ATOM 0 HB2 SER A 538 15.683 -7.682 -6.801 1.00 30.31 H new ATOM 0 HB3 SER A 538 15.008 -9.298 -6.830 1.00 30.31 H new ATOM 0 HG SER A 538 16.963 -9.142 -8.067 1.00 2.23 H new ATOM 1624 N VAL A 539 13.143 -8.532 -10.254 1.00 45.13 N ATOM 1625 CA VAL A 539 12.568 -9.432 -11.263 1.00 52.11 C ATOM 1626 C VAL A 539 13.644 -9.957 -12.227 1.00 51.02 C ATOM 1627 O VAL A 539 14.429 -9.185 -12.783 1.00 64.43 O ATOM 1628 CB VAL A 539 11.454 -8.733 -12.083 1.00 14.44 C ATOM 1629 CG1 VAL A 539 10.780 -9.723 -13.030 1.00 35.12 C ATOM 1630 CG2 VAL A 539 10.430 -8.077 -11.158 1.00 40.51 C ATOM 0 H VAL A 539 13.399 -7.611 -10.610 1.00 45.13 H new ATOM 0 HA VAL A 539 12.135 -10.271 -10.718 1.00 52.11 H new ATOM 0 HB VAL A 539 11.914 -7.949 -12.685 1.00 14.44 H new ATOM 0 HG11 VAL A 539 10.001 -9.212 -13.596 1.00 35.12 H new ATOM 0 HG12 VAL A 539 11.521 -10.130 -13.718 1.00 35.12 H new ATOM 0 HG13 VAL A 539 10.336 -10.534 -12.453 1.00 35.12 H new ATOM 0 HG21 VAL A 539 9.658 -7.593 -11.755 1.00 40.51 H new ATOM 0 HG22 VAL A 539 9.974 -8.837 -10.523 1.00 40.51 H new ATOM 0 HG23 VAL A 539 10.927 -7.333 -10.535 1.00 40.51 H new ATOM 1640 N VAL A 540 13.662 -11.272 -12.432 1.00 24.04 N ATOM 1641 CA VAL A 540 14.662 -11.923 -13.289 1.00 55.25 C ATOM 1642 C VAL A 540 14.019 -12.931 -14.264 1.00 72.31 C ATOM 1643 O VAL A 540 12.847 -13.280 -14.132 1.00 3.20 O ATOM 1644 CB VAL A 540 15.732 -12.650 -12.436 1.00 34.45 C ATOM 1645 CG1 VAL A 540 16.618 -11.647 -11.697 1.00 21.44 C ATOM 1646 CG2 VAL A 540 15.069 -13.612 -11.453 1.00 64.24 C ATOM 0 H VAL A 540 12.991 -11.916 -12.014 1.00 24.04 H new ATOM 0 HA VAL A 540 15.135 -11.133 -13.872 1.00 55.25 H new ATOM 0 HB VAL A 540 16.367 -13.227 -13.108 1.00 34.45 H new ATOM 0 HG11 VAL A 540 17.360 -12.184 -11.106 1.00 21.44 H new ATOM 0 HG12 VAL A 540 17.124 -11.007 -12.420 1.00 21.44 H new ATOM 0 HG13 VAL A 540 16.003 -11.035 -11.038 1.00 21.44 H new ATOM 0 HG21 VAL A 540 15.835 -14.114 -10.862 1.00 64.24 H new ATOM 0 HG22 VAL A 540 14.406 -13.056 -10.790 1.00 64.24 H new ATOM 0 HG23 VAL A 540 14.491 -14.354 -12.004 1.00 64.24 H new ATOM 1656 N LEU A 541 14.802 -13.394 -15.245 1.00 61.24 N ATOM 1657 CA LEU A 541 14.309 -14.334 -16.268 1.00 64.11 C ATOM 1658 C LEU A 541 14.139 -15.765 -15.721 1.00 12.01 C ATOM 1659 O LEU A 541 13.204 -16.474 -16.099 1.00 11.22 O ATOM 1660 CB LEU A 541 15.264 -14.356 -17.474 1.00 24.11 C ATOM 1661 CG LEU A 541 15.253 -13.095 -18.352 1.00 62.32 C ATOM 1662 CD1 LEU A 541 16.356 -13.160 -19.407 1.00 23.22 C ATOM 1663 CD2 LEU A 541 13.888 -12.920 -19.018 1.00 62.54 C ATOM 0 H LEU A 541 15.782 -13.135 -15.355 1.00 61.24 H new ATOM 0 HA LEU A 541 13.326 -13.979 -16.576 1.00 64.11 H new ATOM 0 HB2 LEU A 541 16.279 -14.514 -17.108 1.00 24.11 H new ATOM 0 HB3 LEU A 541 15.013 -15.214 -18.098 1.00 24.11 H new ATOM 0 HG LEU A 541 15.442 -12.232 -17.713 1.00 62.32 H new ATOM 0 HD11 LEU A 541 16.330 -12.257 -20.017 1.00 23.22 H new ATOM 0 HD12 LEU A 541 17.326 -13.237 -18.915 1.00 23.22 H new ATOM 0 HD13 LEU A 541 16.201 -14.032 -20.042 1.00 23.22 H new ATOM 0 HD21 LEU A 541 13.897 -12.022 -19.636 1.00 62.54 H new ATOM 0 HD22 LEU A 541 13.673 -13.788 -19.642 1.00 62.54 H new ATOM 0 HD23 LEU A 541 13.119 -12.825 -18.252 1.00 62.54 H new ATOM 1675 N GLU A 542 15.051 -16.179 -14.840 1.00 33.43 N ATOM 1676 CA GLU A 542 15.051 -17.549 -14.291 1.00 31.14 C ATOM 1677 C GLU A 542 13.720 -17.915 -13.589 1.00 52.24 C ATOM 1678 O GLU A 542 13.353 -17.263 -12.584 1.00 37.34 O ATOM 1679 CB GLU A 542 16.236 -17.735 -13.326 1.00 14.43 C ATOM 1680 CG GLU A 542 16.284 -16.718 -12.192 1.00 12.34 C ATOM 1681 CD GLU A 542 17.372 -17.014 -11.178 1.00 5.15 C ATOM 1682 OE1 GLU A 542 17.187 -17.941 -10.359 1.00 65.12 O ATOM 1683 OE2 GLU A 542 18.413 -16.325 -11.192 1.00 11.01 O ATOM 0 H GLU A 542 15.804 -15.588 -14.486 1.00 33.43 H new ATOM 0 HA GLU A 542 15.158 -18.230 -15.135 1.00 31.14 H new ATOM 0 HB2 GLU A 542 16.188 -18.737 -12.899 1.00 14.43 H new ATOM 0 HB3 GLU A 542 17.165 -17.674 -13.893 1.00 14.43 H new ATOM 0 HG2 GLU A 542 16.444 -15.724 -12.609 1.00 12.34 H new ATOM 0 HG3 GLU A 542 15.319 -16.700 -11.686 1.00 12.34 H new TER 1690 GLU A 542