USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 707 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 508 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 513 GLN : amide:sc= -0.013 X(o=-0.013,f=0.0065) USER MOD Set 2.1: A 470 GLN :FLIP amide:sc= -0.185 X(o=-0.84,f=-0.74) USER MOD Set 2.2: A 475 GLN :FLIP amide:sc= -0.559 F(o=-1.9!,f=-0.74) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 ASN :FLIP amide:sc= -0.0626 F(o=-3.7,f=-0.063) USER MOD Single : A 425 HIS :FLIP no HE2:sc= -0.841 F(o=-3.2,f=-0.84) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -1.12 K(o=-1.1,f=-9.2!) USER MOD Single : A 432 THR OG1 : rot 150:sc= -5.73 USER MOD Single : A 435 SER OG : rot 180:sc= -0.0422 USER MOD Single : A 439 GLN : amide:sc= -0.0321 X(o=-0.032,f=-0.024) USER MOD Single : A 442 GLN : amide:sc= -0.0976 X(o=-0.098,f=-0.075) USER MOD Single : A 444 TYR OH : rot 180:sc= -5.97! USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.278! USER MOD Single : A 454 ASN : amide:sc= -12.5! C(o=-13!,f=-25!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN :FLIP amide:sc= -2.29 F(o=-3.4!,f=-2.3) USER MOD Single : A 462 GLN : amide:sc= -4.73 X(o=-4.7,f=-4.5!) USER MOD Single : A 463 ASN :FLIP amide:sc= -0.516 F(o=-1.8,f=-0.52) USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 479 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 482 TYR OH : rot 30:sc= 0 USER MOD Single : A 486 HIS :FLIP no HD1:sc= -1.98 F(o=-3.8,f=-2) USER MOD Single : A 490 ASN :FLIP amide:sc= -3.62 F(o=-7.4!,f=-3.6) USER MOD Single : A 491 THR OG1 : rot 180:sc= -0.098 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 SER OG : rot -178:sc= -1.65! USER MOD Single : A 501 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 502 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 510 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.4) USER MOD Single : A 516 CYS SG : rot 180:sc= 0.03 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 412 1.146 34.536 7.582 1.00 0.00 N ATOM 19 CA ASP A 412 -0.130 34.165 8.171 1.00 0.00 C ATOM 20 C ASP A 412 0.117 33.283 9.395 1.00 0.00 C ATOM 21 O ASP A 412 1.263 33.003 9.743 1.00 0.00 O ATOM 22 CB ASP A 412 -0.984 33.371 7.180 1.00 0.00 C ATOM 23 CG ASP A 412 -2.475 33.315 7.512 1.00 0.00 C ATOM 24 OD1 ASP A 412 -3.172 34.341 7.499 1.00 0.00 O ATOM 25 OD2 ASP A 412 -2.927 32.141 7.798 1.00 0.00 O ATOM 0 HA ASP A 412 -0.654 35.080 8.446 1.00 0.00 H new ATOM 0 HB2 ASP A 412 -0.864 33.808 6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 412 -0.600 32.352 7.128 1.00 0.00 H new ATOM 31 N VAL A 413 -0.977 32.869 10.017 1.00 0.00 N ATOM 32 CA VAL A 413 -0.895 32.024 11.196 1.00 0.00 C ATOM 33 C VAL A 413 -0.796 30.560 10.764 1.00 0.00 C ATOM 34 O VAL A 413 -1.260 30.196 9.685 1.00 0.00 O ATOM 35 CB VAL A 413 -2.084 32.296 12.120 1.00 0.00 C ATOM 36 CG1 VAL A 413 -3.224 31.312 11.848 1.00 0.00 C ATOM 37 CG2 VAL A 413 -1.660 32.253 13.588 1.00 0.00 C ATOM 0 H VAL A 413 -1.926 33.103 9.726 1.00 0.00 H new ATOM 0 HA VAL A 413 0.003 32.255 11.769 1.00 0.00 H new ATOM 0 HB VAL A 413 -2.450 33.301 11.908 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -4.057 31.526 12.517 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -3.554 31.414 10.814 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -2.874 30.294 12.018 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -2.524 32.450 14.222 1.00 0.00 H new ATOM 0 HG22 VAL A 413 -1.255 31.268 13.821 1.00 0.00 H new ATOM 0 HG23 VAL A 413 -0.897 33.011 13.769 1.00 0.00 H new ATOM 47 N ASP A 414 -0.187 29.761 11.628 1.00 0.00 N ATOM 48 CA ASP A 414 -0.023 28.345 11.348 1.00 0.00 C ATOM 49 C ASP A 414 -1.223 27.576 11.902 1.00 0.00 C ATOM 50 O ASP A 414 -1.157 27.020 12.997 1.00 0.00 O ATOM 51 CB ASP A 414 1.239 27.796 12.017 1.00 0.00 C ATOM 52 CG ASP A 414 1.690 26.420 11.519 1.00 0.00 C ATOM 53 OD1 ASP A 414 2.834 26.244 11.077 1.00 0.00 O ATOM 54 OD2 ASP A 414 0.796 25.492 11.598 1.00 0.00 O ATOM 0 H ASP A 414 0.198 30.067 12.521 1.00 0.00 H new ATOM 0 HA ASP A 414 0.056 28.222 10.268 1.00 0.00 H new ATOM 0 HB2 ASP A 414 2.052 28.506 11.863 1.00 0.00 H new ATOM 0 HB3 ASP A 414 1.066 27.738 13.092 1.00 0.00 H new ATOM 60 N GLU A 415 -2.292 27.569 11.120 1.00 0.00 N ATOM 61 CA GLU A 415 -3.507 26.877 11.519 1.00 0.00 C ATOM 62 C GLU A 415 -3.185 25.444 11.947 1.00 0.00 C ATOM 63 O GLU A 415 -3.965 24.816 12.661 1.00 0.00 O ATOM 64 CB GLU A 415 -4.542 26.894 10.392 1.00 0.00 C ATOM 65 CG GLU A 415 -5.060 28.311 10.143 1.00 0.00 C ATOM 66 CD GLU A 415 -4.689 28.793 8.740 1.00 0.00 C ATOM 67 OE1 GLU A 415 -4.409 27.969 7.855 1.00 0.00 O ATOM 68 OE2 GLU A 415 -4.700 30.073 8.582 1.00 0.00 O ATOM 0 H GLU A 415 -2.343 28.031 10.212 1.00 0.00 H new ATOM 0 HA GLU A 415 -3.938 27.401 12.372 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -4.096 26.500 9.478 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -5.374 26.239 10.648 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -6.143 28.332 10.264 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -4.643 28.990 10.887 1.00 0.00 H new ATOM 76 N CYS A 416 -2.034 24.969 11.494 1.00 0.00 N ATOM 77 CA CYS A 416 -1.600 23.621 11.822 1.00 0.00 C ATOM 78 C CYS A 416 -0.961 23.648 13.212 1.00 0.00 C ATOM 79 O CYS A 416 -0.890 22.621 13.885 1.00 0.00 O ATOM 80 CB CYS A 416 -0.646 23.062 10.765 1.00 0.00 C ATOM 81 SG CYS A 416 0.415 21.686 11.341 1.00 0.00 S ATOM 0 H CYS A 416 -1.389 25.493 10.903 1.00 0.00 H new ATOM 0 HA CYS A 416 -2.459 22.950 11.831 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -1.232 22.718 9.912 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -0.007 23.870 10.408 1.00 0.00 H new ATOM 86 N SER A 417 -0.512 24.833 13.599 1.00 0.00 N ATOM 87 CA SER A 417 0.119 25.006 14.897 1.00 0.00 C ATOM 88 C SER A 417 -0.944 25.289 15.962 1.00 0.00 C ATOM 89 O SER A 417 -0.737 25.004 17.140 1.00 0.00 O ATOM 90 CB SER A 417 1.148 26.137 14.862 1.00 0.00 C ATOM 91 OG SER A 417 2.055 26.068 15.958 1.00 0.00 O ATOM 0 H SER A 417 -0.572 25.682 13.037 1.00 0.00 H new ATOM 0 HA SER A 417 0.641 24.083 15.149 1.00 0.00 H new ATOM 0 HB2 SER A 417 1.706 26.091 13.927 1.00 0.00 H new ATOM 0 HB3 SER A 417 0.632 27.097 14.878 1.00 0.00 H new ATOM 0 HG SER A 417 2.697 26.806 15.899 1.00 0.00 H new ATOM 97 N LEU A 418 -2.058 25.843 15.508 1.00 0.00 N ATOM 98 CA LEU A 418 -3.153 26.167 16.407 1.00 0.00 C ATOM 99 C LEU A 418 -3.777 24.871 16.929 1.00 0.00 C ATOM 100 O LEU A 418 -3.470 24.431 18.036 1.00 0.00 O ATOM 101 CB LEU A 418 -4.153 27.098 15.719 1.00 0.00 C ATOM 102 CG LEU A 418 -3.716 28.556 15.568 1.00 0.00 C ATOM 103 CD1 LEU A 418 -3.873 29.029 14.122 1.00 0.00 C ATOM 104 CD2 LEU A 418 -4.468 29.458 16.550 1.00 0.00 C ATOM 0 H LEU A 418 -2.226 26.076 14.529 1.00 0.00 H new ATOM 0 HA LEU A 418 -2.786 26.717 17.274 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -4.368 26.699 14.728 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -5.087 27.075 16.281 1.00 0.00 H new ATOM 0 HG LEU A 418 -2.656 28.622 15.815 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -3.555 30.069 14.043 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -3.258 28.411 13.468 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -4.918 28.945 13.823 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -4.139 30.489 16.422 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -5.539 29.392 16.357 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -4.263 29.136 17.571 1.00 0.00 H new ATOM 116 N GLY A 419 -4.645 24.297 16.107 1.00 0.00 N ATOM 117 CA GLY A 419 -5.315 23.061 16.473 1.00 0.00 C ATOM 118 C GLY A 419 -5.948 22.397 15.249 1.00 0.00 C ATOM 119 O GLY A 419 -6.915 21.647 15.374 1.00 0.00 O ATOM 0 H GLY A 419 -4.899 24.665 15.190 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -4.600 22.378 16.933 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -6.084 23.267 17.218 1.00 0.00 H new ATOM 123 N ALA A 420 -5.378 22.699 14.091 1.00 0.00 N ATOM 124 CA ALA A 420 -5.873 22.142 12.845 1.00 0.00 C ATOM 125 C ALA A 420 -4.716 21.491 12.085 1.00 0.00 C ATOM 126 O ALA A 420 -4.220 22.046 11.106 1.00 0.00 O ATOM 127 CB ALA A 420 -6.560 23.240 12.031 1.00 0.00 C ATOM 0 H ALA A 420 -4.577 23.323 13.991 1.00 0.00 H new ATOM 0 HA ALA A 420 -6.615 21.368 13.040 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -6.931 22.821 11.096 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -7.394 23.649 12.602 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -5.845 24.034 11.814 1.00 0.00 H new ATOM 133 N ASN A 421 -4.319 20.322 12.566 1.00 0.00 N ATOM 134 CA ASN A 421 -3.229 19.589 11.945 1.00 0.00 C ATOM 135 C ASN A 421 -3.757 18.261 11.399 1.00 0.00 C ATOM 136 O ASN A 421 -4.050 17.344 12.165 1.00 0.00 O ATOM 137 CB ASN A 421 -2.126 19.276 12.960 1.00 0.00 C ATOM 138 CG ASN A 421 -1.013 18.443 12.322 1.00 0.00 C ATOM 139 OD1 ASN A 421 -1.040 17.157 12.656 1.00 0.00 O flip ATOM 140 ND2 ASN A 421 -0.184 18.936 11.573 1.00 0.00 N flip ATOM 0 H ASN A 421 -4.733 19.864 13.378 1.00 0.00 H new ATOM 0 HA ASN A 421 -2.820 20.208 11.146 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -1.711 20.206 13.350 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -2.549 18.736 13.807 1.00 0.00 H new ATOM 0 HD21 ASN A 421 -0.220 19.932 11.357 1.00 0.00 H new ATOM 0 HD22 ASN A 421 0.544 18.351 11.163 1.00 0.00 H new ATOM 147 N PRO A 422 -3.867 18.200 10.045 1.00 0.00 N ATOM 148 CA PRO A 422 -4.357 16.999 9.388 1.00 0.00 C ATOM 149 C PRO A 422 -3.289 15.902 9.386 1.00 0.00 C ATOM 150 O PRO A 422 -3.606 14.725 9.547 1.00 0.00 O ATOM 151 CB PRO A 422 -4.749 17.449 7.989 1.00 0.00 C ATOM 152 CG PRO A 422 -4.037 18.773 7.762 1.00 0.00 C ATOM 153 CD PRO A 422 -3.531 19.266 9.107 1.00 0.00 C ATOM 0 HA PRO A 422 -5.209 16.555 9.903 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -4.450 16.712 7.244 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -5.829 17.567 7.905 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.208 18.646 7.065 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -4.717 19.501 7.320 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -2.457 19.448 9.083 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -4.007 20.205 9.389 1.00 0.00 H new ATOM 161 N CYS A 423 -2.049 16.327 9.202 1.00 0.00 N ATOM 162 CA CYS A 423 -0.934 15.396 9.177 1.00 0.00 C ATOM 163 C CYS A 423 -1.076 14.445 10.367 1.00 0.00 C ATOM 164 O CYS A 423 -0.526 13.344 10.356 1.00 0.00 O ATOM 165 CB CYS A 423 0.411 16.123 9.185 1.00 0.00 C ATOM 166 SG CYS A 423 0.456 17.665 8.198 1.00 0.00 S ATOM 0 H CYS A 423 -1.791 17.305 9.069 1.00 0.00 H new ATOM 0 HA CYS A 423 -0.956 14.823 8.250 1.00 0.00 H new ATOM 0 HB2 CYS A 423 0.674 16.360 10.216 1.00 0.00 H new ATOM 0 HB3 CYS A 423 1.177 15.445 8.809 1.00 0.00 H new ATOM 171 N GLU A 424 -1.817 14.903 11.364 1.00 0.00 N ATOM 172 CA GLU A 424 -2.038 14.107 12.560 1.00 0.00 C ATOM 173 C GLU A 424 -0.729 13.935 13.332 1.00 0.00 C ATOM 174 O GLU A 424 -0.397 14.751 14.191 1.00 0.00 O ATOM 175 CB GLU A 424 -2.650 12.750 12.209 1.00 0.00 C ATOM 176 CG GLU A 424 -4.077 12.913 11.676 1.00 0.00 C ATOM 177 CD GLU A 424 -5.055 12.033 12.456 1.00 0.00 C ATOM 178 OE1 GLU A 424 -5.597 12.466 13.483 1.00 0.00 O ATOM 179 OE2 GLU A 424 -5.248 10.859 11.957 1.00 0.00 O ATOM 0 H GLU A 424 -2.273 15.816 11.369 1.00 0.00 H new ATOM 0 HA GLU A 424 -2.747 14.634 13.199 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -2.033 12.251 11.461 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -2.659 12.111 13.092 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -4.381 13.957 11.752 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -4.107 12.649 10.619 1.00 0.00 H new ATOM 187 N HIS A 425 -0.019 12.867 13.000 1.00 0.00 N ATOM 188 CA HIS A 425 1.246 12.576 13.652 1.00 0.00 C ATOM 189 C HIS A 425 2.328 12.347 12.594 1.00 0.00 C ATOM 190 O HIS A 425 3.468 12.775 12.763 1.00 0.00 O ATOM 191 CB HIS A 425 1.102 11.399 14.618 1.00 0.00 C ATOM 192 CG HIS A 425 0.622 10.124 13.965 1.00 0.00 C ATOM 193 ND1 HIS A 425 -0.469 9.879 13.186 1.00 0.00 N flip ATOM 194 CD2 HIS A 425 1.294 8.920 14.087 1.00 0.00 C flip ATOM 195 CE1 HIS A 425 -0.465 8.595 12.849 1.00 0.00 C flip ATOM 196 NE2 HIS A 425 0.628 7.999 13.406 1.00 0.00 N flip ATOM 0 H HIS A 425 -0.296 12.192 12.287 1.00 0.00 H new ATOM 0 HA HIS A 425 1.553 13.430 14.256 1.00 0.00 H new ATOM 0 HB2 HIS A 425 2.065 11.212 15.093 1.00 0.00 H new ATOM 0 HB3 HIS A 425 0.405 11.675 15.409 1.00 0.00 H new ATOM 0 HD1 HIS A 425 -1.170 10.566 12.909 1.00 0.00 H new ATOM 0 HD2 HIS A 425 2.206 8.759 14.643 1.00 0.00 H new ATOM 0 HE1 HIS A 425 -1.205 8.103 12.235 1.00 0.00 H new ATOM 204 N ALA A 426 1.931 11.670 11.525 1.00 0.00 N ATOM 205 CA ALA A 426 2.852 11.378 10.441 1.00 0.00 C ATOM 206 C ALA A 426 2.470 12.211 9.215 1.00 0.00 C ATOM 207 O ALA A 426 1.452 11.950 8.576 1.00 0.00 O ATOM 208 CB ALA A 426 2.841 9.876 10.151 1.00 0.00 C ATOM 0 H ALA A 426 0.984 11.316 11.388 1.00 0.00 H new ATOM 0 HA ALA A 426 3.870 11.648 10.720 1.00 0.00 H new ATOM 0 HB1 ALA A 426 3.532 9.657 9.337 1.00 0.00 H new ATOM 0 HB2 ALA A 426 3.147 9.331 11.044 1.00 0.00 H new ATOM 0 HB3 ALA A 426 1.835 9.568 9.865 1.00 0.00 H new ATOM 214 N GLY A 427 3.306 13.196 8.925 1.00 0.00 N ATOM 215 CA GLY A 427 3.068 14.069 7.787 1.00 0.00 C ATOM 216 C GLY A 427 3.682 15.451 8.019 1.00 0.00 C ATOM 217 O GLY A 427 3.841 15.879 9.161 1.00 0.00 O ATOM 0 H GLY A 427 4.149 13.410 9.458 1.00 0.00 H new ATOM 0 HA2 GLY A 427 3.494 13.624 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 427 1.996 14.167 7.617 1.00 0.00 H new ATOM 221 N LYS A 428 4.008 16.111 6.918 1.00 0.00 N ATOM 222 CA LYS A 428 4.600 17.436 6.986 1.00 0.00 C ATOM 223 C LYS A 428 3.488 18.483 7.077 1.00 0.00 C ATOM 224 O LYS A 428 2.493 18.399 6.359 1.00 0.00 O ATOM 225 CB LYS A 428 5.558 17.656 5.815 1.00 0.00 C ATOM 226 CG LYS A 428 6.914 18.168 6.303 1.00 0.00 C ATOM 227 CD LYS A 428 6.780 19.552 6.945 1.00 0.00 C ATOM 228 CE LYS A 428 7.683 20.570 6.247 1.00 0.00 C ATOM 229 NZ LYS A 428 8.973 20.694 6.964 1.00 0.00 N ATOM 0 H LYS A 428 3.873 15.753 5.973 1.00 0.00 H new ATOM 0 HA LYS A 428 5.207 17.536 7.886 1.00 0.00 H new ATOM 0 HB2 LYS A 428 5.693 16.721 5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 428 5.125 18.372 5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 428 7.333 17.467 7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 428 7.611 18.217 5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 428 5.743 19.883 6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 428 7.041 19.493 8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 428 7.861 20.262 5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 428 7.187 21.540 6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 9.575 21.389 6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 8.799 21.009 7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 9.452 19.771 6.979 1.00 0.00 H new ATOM 242 N CYS A 429 3.694 19.443 7.965 1.00 0.00 N ATOM 243 CA CYS A 429 2.721 20.505 8.158 1.00 0.00 C ATOM 244 C CYS A 429 3.451 21.848 8.072 1.00 0.00 C ATOM 245 O CYS A 429 4.381 22.103 8.833 1.00 0.00 O ATOM 246 CB CYS A 429 1.970 20.350 9.482 1.00 0.00 C ATOM 247 SG CYS A 429 2.193 21.732 10.660 1.00 0.00 S ATOM 0 H CYS A 429 4.520 19.508 8.559 1.00 0.00 H new ATOM 0 HA CYS A 429 1.963 20.453 7.376 1.00 0.00 H new ATOM 0 HB2 CYS A 429 0.907 20.241 9.269 1.00 0.00 H new ATOM 0 HB3 CYS A 429 2.295 19.427 9.962 1.00 0.00 H new ATOM 252 N ILE A 430 3.000 22.669 7.135 1.00 0.00 N ATOM 253 CA ILE A 430 3.598 23.979 6.939 1.00 0.00 C ATOM 254 C ILE A 430 2.516 25.053 7.065 1.00 0.00 C ATOM 255 O ILE A 430 1.326 24.743 7.081 1.00 0.00 O ATOM 256 CB ILE A 430 4.360 24.026 5.611 1.00 0.00 C ATOM 257 CG1 ILE A 430 4.098 22.766 4.785 1.00 0.00 C ATOM 258 CG2 ILE A 430 5.853 24.262 5.844 1.00 0.00 C ATOM 259 CD1 ILE A 430 4.806 21.554 5.395 1.00 0.00 C ATOM 0 H ILE A 430 2.228 22.453 6.504 1.00 0.00 H new ATOM 0 HA ILE A 430 4.338 24.180 7.713 1.00 0.00 H new ATOM 0 HB ILE A 430 3.989 24.872 5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 430 3.026 22.577 4.733 1.00 0.00 H new ATOM 0 HG13 ILE A 430 4.445 22.918 3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 430 6.371 24.291 4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 430 5.995 25.211 6.362 1.00 0.00 H new ATOM 0 HG23 ILE A 430 6.259 23.453 6.451 1.00 0.00 H new ATOM 0 HD11 ILE A 430 4.604 20.671 4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 430 5.880 21.736 5.423 1.00 0.00 H new ATOM 0 HD13 ILE A 430 4.439 21.390 6.408 1.00 0.00 H new ATOM 271 N ASN A 431 2.968 26.296 7.151 1.00 0.00 N ATOM 272 CA ASN A 431 2.054 27.419 7.276 1.00 0.00 C ATOM 273 C ASN A 431 1.988 28.168 5.944 1.00 0.00 C ATOM 274 O ASN A 431 3.020 28.511 5.370 1.00 0.00 O ATOM 275 CB ASN A 431 2.531 28.400 8.349 1.00 0.00 C ATOM 276 CG ASN A 431 1.623 29.631 8.406 1.00 0.00 C ATOM 277 OD1 ASN A 431 0.613 29.722 7.729 1.00 0.00 O ATOM 278 ND2 ASN A 431 2.040 30.571 9.251 1.00 0.00 N ATOM 0 H ASN A 431 3.956 26.550 7.137 1.00 0.00 H new ATOM 0 HA ASN A 431 1.075 27.028 7.555 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.542 27.906 9.320 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.555 28.708 8.137 1.00 0.00 H new ATOM 0 HD21 ASN A 431 1.504 31.432 9.362 1.00 0.00 H new ATOM 0 HD22 ASN A 431 2.896 30.431 9.788 1.00 0.00 H new ATOM 285 N THR A 432 0.766 28.400 5.492 1.00 0.00 N ATOM 286 CA THR A 432 0.552 29.103 4.239 1.00 0.00 C ATOM 287 C THR A 432 -0.257 30.381 4.473 1.00 0.00 C ATOM 288 O THR A 432 -0.753 30.610 5.575 1.00 0.00 O ATOM 289 CB THR A 432 -0.116 28.133 3.261 1.00 0.00 C ATOM 290 OG1 THR A 432 -0.568 27.064 4.086 1.00 0.00 O ATOM 291 CG2 THR A 432 0.888 27.474 2.312 1.00 0.00 C ATOM 0 H THR A 432 -0.088 28.113 5.971 1.00 0.00 H new ATOM 0 HA THR A 432 1.497 29.429 3.804 1.00 0.00 H new ATOM 0 HB THR A 432 -0.869 28.665 2.680 1.00 0.00 H new ATOM 0 HG1 THR A 432 -1.372 26.665 3.693 1.00 0.00 H new ATOM 0 HG21 THR A 432 0.362 26.796 1.640 1.00 0.00 H new ATOM 0 HG22 THR A 432 1.395 28.242 1.729 1.00 0.00 H new ATOM 0 HG23 THR A 432 1.622 26.914 2.891 1.00 0.00 H new ATOM 299 N LEU A 433 -0.363 31.179 3.421 1.00 0.00 N ATOM 300 CA LEU A 433 -1.102 32.426 3.498 1.00 0.00 C ATOM 301 C LEU A 433 -2.602 32.131 3.435 1.00 0.00 C ATOM 302 O LEU A 433 -3.079 31.528 2.474 1.00 0.00 O ATOM 303 CB LEU A 433 -0.621 33.402 2.424 1.00 0.00 C ATOM 304 CG LEU A 433 0.371 34.473 2.885 1.00 0.00 C ATOM 305 CD1 LEU A 433 1.105 35.090 1.692 1.00 0.00 C ATOM 306 CD2 LEU A 433 -0.325 35.533 3.741 1.00 0.00 C ATOM 0 H LEU A 433 0.052 30.985 2.509 1.00 0.00 H new ATOM 0 HA LEU A 433 -0.915 32.921 4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -0.158 32.828 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -1.492 33.901 1.998 1.00 0.00 H new ATOM 0 HG LEU A 433 1.123 33.995 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 433 1.804 35.848 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 433 1.653 34.312 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 433 0.382 35.550 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 433 0.402 36.282 4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -1.111 36.013 3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -0.763 35.061 4.620 1.00 0.00 H new ATOM 318 N GLY A 434 -3.304 32.569 4.469 1.00 0.00 N ATOM 319 CA GLY A 434 -4.740 32.359 4.542 1.00 0.00 C ATOM 320 C GLY A 434 -5.063 30.965 5.082 1.00 0.00 C ATOM 321 O GLY A 434 -5.939 30.812 5.932 1.00 0.00 O ATOM 0 H GLY A 434 -2.905 33.069 5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -5.190 33.115 5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -5.180 32.480 3.552 1.00 0.00 H new ATOM 325 N SER A 435 -4.339 29.983 4.566 1.00 0.00 N ATOM 326 CA SER A 435 -4.539 28.606 4.986 1.00 0.00 C ATOM 327 C SER A 435 -3.190 27.955 5.298 1.00 0.00 C ATOM 328 O SER A 435 -2.141 28.557 5.083 1.00 0.00 O ATOM 329 CB SER A 435 -5.279 27.805 3.913 1.00 0.00 C ATOM 330 OG SER A 435 -5.704 26.533 4.396 1.00 0.00 O ATOM 0 H SER A 435 -3.613 30.113 3.861 1.00 0.00 H new ATOM 0 HA SER A 435 -5.153 28.608 5.887 1.00 0.00 H new ATOM 0 HB2 SER A 435 -6.145 28.371 3.571 1.00 0.00 H new ATOM 0 HB3 SER A 435 -4.628 27.666 3.050 1.00 0.00 H new ATOM 0 HG SER A 435 -6.174 26.053 3.683 1.00 0.00 H new ATOM 336 N PHE A 436 -3.263 26.730 5.799 1.00 0.00 N ATOM 337 CA PHE A 436 -2.061 25.989 6.143 1.00 0.00 C ATOM 338 C PHE A 436 -1.814 24.853 5.149 1.00 0.00 C ATOM 339 O PHE A 436 -2.759 24.276 4.612 1.00 0.00 O ATOM 340 CB PHE A 436 -2.285 25.394 7.535 1.00 0.00 C ATOM 341 CG PHE A 436 -3.249 24.206 7.555 1.00 0.00 C ATOM 342 CD1 PHE A 436 -2.798 22.958 7.255 1.00 0.00 C ATOM 343 CD2 PHE A 436 -4.558 24.397 7.873 1.00 0.00 C ATOM 344 CE1 PHE A 436 -3.693 21.856 7.272 1.00 0.00 C ATOM 345 CE2 PHE A 436 -5.452 23.294 7.891 1.00 0.00 C ATOM 346 CZ PHE A 436 -5.001 22.047 7.591 1.00 0.00 C ATOM 0 H PHE A 436 -4.136 26.232 5.975 1.00 0.00 H new ATOM 0 HA PHE A 436 -1.196 26.651 6.118 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -1.325 25.077 7.942 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -2.670 26.172 8.194 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -1.759 22.806 7.004 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -4.917 25.387 8.112 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -3.335 20.866 7.032 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -6.491 23.446 8.143 1.00 0.00 H new ATOM 0 HZ PHE A 436 -5.681 21.208 7.606 1.00 0.00 H new ATOM 356 N GLU A 437 -0.538 24.568 4.933 1.00 0.00 N ATOM 357 CA GLU A 437 -0.155 23.511 4.011 1.00 0.00 C ATOM 358 C GLU A 437 0.371 22.298 4.783 1.00 0.00 C ATOM 359 O GLU A 437 1.006 22.451 5.826 1.00 0.00 O ATOM 360 CB GLU A 437 0.881 24.010 3.003 1.00 0.00 C ATOM 361 CG GLU A 437 1.553 22.842 2.280 1.00 0.00 C ATOM 362 CD GLU A 437 1.882 23.209 0.832 1.00 0.00 C ATOM 363 OE1 GLU A 437 2.627 24.169 0.590 1.00 0.00 O ATOM 364 OE2 GLU A 437 1.332 22.455 -0.060 1.00 0.00 O ATOM 0 H GLU A 437 0.243 25.049 5.379 1.00 0.00 H new ATOM 0 HA GLU A 437 -1.039 23.206 3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 437 0.400 24.663 2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 437 1.635 24.606 3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 437 2.467 22.562 2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.896 21.972 2.298 1.00 0.00 H new ATOM 372 N CYS A 438 0.088 21.124 4.241 1.00 0.00 N ATOM 373 CA CYS A 438 0.525 19.886 4.867 1.00 0.00 C ATOM 374 C CYS A 438 0.918 18.904 3.761 1.00 0.00 C ATOM 375 O CYS A 438 0.141 18.656 2.841 1.00 0.00 O ATOM 376 CB CYS A 438 -0.550 19.308 5.789 1.00 0.00 C ATOM 377 SG CYS A 438 -0.179 17.642 6.449 1.00 0.00 S ATOM 0 H CYS A 438 -0.438 21.002 3.376 1.00 0.00 H new ATOM 0 HA CYS A 438 1.388 20.081 5.503 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.697 19.991 6.626 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.493 19.266 5.243 1.00 0.00 H new ATOM 382 N GLN A 439 2.124 18.369 3.891 1.00 0.00 N ATOM 383 CA GLN A 439 2.630 17.418 2.915 1.00 0.00 C ATOM 384 C GLN A 439 2.240 15.993 3.313 1.00 0.00 C ATOM 385 O GLN A 439 2.106 15.689 4.497 1.00 0.00 O ATOM 386 CB GLN A 439 4.146 17.549 2.757 1.00 0.00 C ATOM 387 CG GLN A 439 4.555 19.012 2.578 1.00 0.00 C ATOM 388 CD GLN A 439 5.905 19.122 1.868 1.00 0.00 C ATOM 389 OE1 GLN A 439 6.085 18.670 0.749 1.00 0.00 O ATOM 390 NE2 GLN A 439 6.840 19.748 2.577 1.00 0.00 N ATOM 0 H GLN A 439 2.765 18.576 4.657 1.00 0.00 H new ATOM 0 HA GLN A 439 2.177 17.641 1.949 1.00 0.00 H new ATOM 0 HB2 GLN A 439 4.644 17.133 3.633 1.00 0.00 H new ATOM 0 HB3 GLN A 439 4.477 16.967 1.897 1.00 0.00 H new ATOM 0 HG2 GLN A 439 3.794 19.538 2.002 1.00 0.00 H new ATOM 0 HG3 GLN A 439 4.612 19.499 3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 439 6.622 20.102 3.508 1.00 0.00 H new ATOM 0 HE22 GLN A 439 7.775 19.874 2.189 1.00 0.00 H new ATOM 399 N CYS A 440 2.072 15.156 2.299 1.00 0.00 N ATOM 400 CA CYS A 440 1.700 13.770 2.528 1.00 0.00 C ATOM 401 C CYS A 440 2.976 12.971 2.804 1.00 0.00 C ATOM 402 O CYS A 440 4.081 13.486 2.647 1.00 0.00 O ATOM 403 CB CYS A 440 0.910 13.194 1.350 1.00 0.00 C ATOM 404 SG CYS A 440 -0.903 13.398 1.471 1.00 0.00 S ATOM 0 H CYS A 440 2.187 15.411 1.318 1.00 0.00 H new ATOM 0 HA CYS A 440 1.037 13.706 3.391 1.00 0.00 H new ATOM 0 HB2 CYS A 440 1.255 13.670 0.432 1.00 0.00 H new ATOM 0 HB3 CYS A 440 1.137 12.131 1.263 1.00 0.00 H new ATOM 409 N LEU A 441 2.778 11.725 3.212 1.00 0.00 N ATOM 410 CA LEU A 441 3.899 10.851 3.512 1.00 0.00 C ATOM 411 C LEU A 441 3.469 9.395 3.322 1.00 0.00 C ATOM 412 O LEU A 441 2.450 8.969 3.863 1.00 0.00 O ATOM 413 CB LEU A 441 4.455 11.150 4.906 1.00 0.00 C ATOM 414 CG LEU A 441 3.520 10.851 6.079 1.00 0.00 C ATOM 415 CD1 LEU A 441 2.070 11.183 5.723 1.00 0.00 C ATOM 416 CD2 LEU A 441 3.677 9.404 6.552 1.00 0.00 C ATOM 0 H LEU A 441 1.859 11.301 3.341 1.00 0.00 H new ATOM 0 HA LEU A 441 4.721 11.035 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 441 5.371 10.575 5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 441 4.732 12.204 4.947 1.00 0.00 H new ATOM 0 HG LEU A 441 3.803 11.494 6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 441 1.426 10.961 6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 441 1.990 12.241 5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 441 1.759 10.584 4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 441 3.001 9.219 7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.437 8.726 5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 441 4.705 9.236 6.874 1.00 0.00 H new ATOM 428 N GLN A 442 4.266 8.670 2.550 1.00 0.00 N ATOM 429 CA GLN A 442 3.982 7.272 2.282 1.00 0.00 C ATOM 430 C GLN A 442 2.717 7.142 1.432 1.00 0.00 C ATOM 431 O GLN A 442 2.775 7.231 0.207 1.00 0.00 O ATOM 432 CB GLN A 442 3.850 6.479 3.584 1.00 0.00 C ATOM 433 CG GLN A 442 5.165 5.779 3.934 1.00 0.00 C ATOM 434 CD GLN A 442 5.650 6.189 5.326 1.00 0.00 C ATOM 435 OE1 GLN A 442 5.708 5.395 6.251 1.00 0.00 O ATOM 436 NE2 GLN A 442 5.998 7.469 5.423 1.00 0.00 N ATOM 0 H GLN A 442 5.110 9.027 2.101 1.00 0.00 H new ATOM 0 HA GLN A 442 4.818 6.853 1.723 1.00 0.00 H new ATOM 0 HB2 GLN A 442 3.563 7.149 4.395 1.00 0.00 H new ATOM 0 HB3 GLN A 442 3.055 5.740 3.485 1.00 0.00 H new ATOM 0 HG2 GLN A 442 5.027 4.698 3.897 1.00 0.00 H new ATOM 0 HG3 GLN A 442 5.923 6.030 3.192 1.00 0.00 H new ATOM 0 HE21 GLN A 442 5.925 8.080 4.610 1.00 0.00 H new ATOM 0 HE22 GLN A 442 6.338 7.839 6.311 1.00 0.00 H new ATOM 445 N GLY A 443 1.600 6.933 2.116 1.00 0.00 N ATOM 446 CA GLY A 443 0.324 6.790 1.438 1.00 0.00 C ATOM 447 C GLY A 443 -0.820 7.320 2.307 1.00 0.00 C ATOM 448 O GLY A 443 -1.551 6.543 2.918 1.00 0.00 O ATOM 0 H GLY A 443 1.554 6.860 3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 443 0.348 7.331 0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 443 0.149 5.741 1.201 1.00 0.00 H new ATOM 452 N TYR A 444 -0.936 8.639 2.333 1.00 0.00 N ATOM 453 CA TYR A 444 -1.979 9.282 3.116 1.00 0.00 C ATOM 454 C TYR A 444 -3.110 9.783 2.217 1.00 0.00 C ATOM 455 O TYR A 444 -2.931 9.927 1.009 1.00 0.00 O ATOM 456 CB TYR A 444 -1.315 10.483 3.796 1.00 0.00 C ATOM 457 CG TYR A 444 -0.891 10.224 5.244 1.00 0.00 C ATOM 458 CD1 TYR A 444 -0.082 9.147 5.542 1.00 0.00 C ATOM 459 CD2 TYR A 444 -1.319 11.066 6.249 1.00 0.00 C ATOM 460 CE1 TYR A 444 0.316 8.902 6.904 1.00 0.00 C ATOM 461 CE2 TYR A 444 -0.921 10.821 7.610 1.00 0.00 C ATOM 462 CZ TYR A 444 -0.122 9.753 7.872 1.00 0.00 C ATOM 463 OH TYR A 444 0.254 9.522 9.158 1.00 0.00 O ATOM 0 H TYR A 444 -0.326 9.280 1.825 1.00 0.00 H new ATOM 0 HA TYR A 444 -2.410 8.581 3.831 1.00 0.00 H new ATOM 0 HB2 TYR A 444 -0.438 10.775 3.218 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -2.005 11.326 3.776 1.00 0.00 H new ATOM 0 HD1 TYR A 444 0.253 8.488 4.754 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -1.952 11.909 6.015 1.00 0.00 H new ATOM 0 HE1 TYR A 444 0.948 8.062 7.152 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -1.250 11.472 8.406 1.00 0.00 H new ATOM 0 HH TYR A 444 -0.132 10.210 9.740 1.00 0.00 H new ATOM 473 N THR A 445 -4.252 10.033 2.841 1.00 0.00 N ATOM 474 CA THR A 445 -5.414 10.513 2.114 1.00 0.00 C ATOM 475 C THR A 445 -5.596 12.017 2.331 1.00 0.00 C ATOM 476 O THR A 445 -4.710 12.806 2.005 1.00 0.00 O ATOM 477 CB THR A 445 -6.623 9.684 2.551 1.00 0.00 C ATOM 478 OG1 THR A 445 -7.741 10.410 2.048 1.00 0.00 O ATOM 479 CG2 THR A 445 -6.823 9.697 4.068 1.00 0.00 C ATOM 0 H THR A 445 -4.397 9.912 3.843 1.00 0.00 H new ATOM 0 HA THR A 445 -5.288 10.385 1.039 1.00 0.00 H new ATOM 0 HB THR A 445 -6.502 8.656 2.209 1.00 0.00 H new ATOM 0 HG1 THR A 445 -8.569 9.942 2.285 1.00 0.00 H new ATOM 0 HG21 THR A 445 -7.694 9.094 4.325 1.00 0.00 H new ATOM 0 HG22 THR A 445 -5.939 9.285 4.555 1.00 0.00 H new ATOM 0 HG23 THR A 445 -6.979 10.722 4.406 1.00 0.00 H new ATOM 487 N GLY A 446 -6.750 12.367 2.880 1.00 0.00 N ATOM 488 CA GLY A 446 -7.059 13.762 3.145 1.00 0.00 C ATOM 489 C GLY A 446 -7.639 14.440 1.903 1.00 0.00 C ATOM 490 O GLY A 446 -7.491 13.937 0.790 1.00 0.00 O ATOM 0 H GLY A 446 -7.482 11.709 3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -7.771 13.831 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -6.156 14.285 3.461 1.00 0.00 H new ATOM 494 N PRO A 447 -8.305 15.601 2.141 1.00 0.00 N ATOM 495 CA PRO A 447 -8.910 16.354 1.054 1.00 0.00 C ATOM 496 C PRO A 447 -7.845 17.092 0.241 1.00 0.00 C ATOM 497 O PRO A 447 -7.997 17.275 -0.967 1.00 0.00 O ATOM 498 CB PRO A 447 -9.898 17.292 1.727 1.00 0.00 C ATOM 499 CG PRO A 447 -9.481 17.360 3.187 1.00 0.00 C ATOM 500 CD PRO A 447 -8.503 16.227 3.446 1.00 0.00 C ATOM 0 HA PRO A 447 -9.417 15.715 0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -9.873 18.280 1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -10.918 16.920 1.629 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -9.018 18.322 3.407 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -10.351 17.269 3.837 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -7.563 16.601 3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -8.903 15.516 4.169 1.00 0.00 H new ATOM 508 N ARG A 448 -6.790 17.497 0.935 1.00 0.00 N ATOM 509 CA ARG A 448 -5.700 18.210 0.291 1.00 0.00 C ATOM 510 C ARG A 448 -4.430 17.357 0.298 1.00 0.00 C ATOM 511 O ARG A 448 -3.430 17.723 -0.318 1.00 0.00 O ATOM 512 CB ARG A 448 -5.419 19.537 0.998 1.00 0.00 C ATOM 513 CG ARG A 448 -6.721 20.261 1.345 1.00 0.00 C ATOM 514 CD ARG A 448 -6.878 20.408 2.861 1.00 0.00 C ATOM 515 NE ARG A 448 -7.938 21.396 3.165 1.00 0.00 N ATOM 516 CZ ARG A 448 -8.095 21.992 4.367 1.00 0.00 C ATOM 517 NH1 ARG A 448 -7.260 21.704 5.389 1.00 0.00 N ATOM 518 NH2 ARG A 448 -9.076 22.860 4.528 1.00 0.00 N ATOM 0 H ARG A 448 -6.668 17.345 1.936 1.00 0.00 H new ATOM 0 HA ARG A 448 -5.998 18.414 -0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -4.847 19.354 1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -4.806 20.171 0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -6.730 21.246 0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -7.568 19.708 0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -7.129 19.444 3.304 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -5.934 20.726 3.304 1.00 0.00 H new ATOM 0 HE ARG A 448 -8.590 21.642 2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -6.504 21.032 5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -7.385 22.158 6.294 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -9.702 23.072 3.751 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -9.208 23.319 5.429 1.00 0.00 H new ATOM 531 N CYS A 449 -4.512 16.237 1.000 1.00 0.00 N ATOM 532 CA CYS A 449 -3.382 15.329 1.094 1.00 0.00 C ATOM 533 C CYS A 449 -2.669 15.586 2.423 1.00 0.00 C ATOM 534 O CYS A 449 -1.555 16.106 2.445 1.00 0.00 O ATOM 535 CB CYS A 449 -2.435 15.478 -0.099 1.00 0.00 C ATOM 536 SG CYS A 449 -1.373 14.024 -0.421 1.00 0.00 S ATOM 0 H CYS A 449 -5.344 15.938 1.509 1.00 0.00 H new ATOM 0 HA CYS A 449 -3.737 14.299 1.066 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -3.027 15.683 -0.991 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -1.798 16.346 0.067 1.00 0.00 H new ATOM 541 N GLU A 450 -3.342 15.208 3.500 1.00 0.00 N ATOM 542 CA GLU A 450 -2.786 15.391 4.831 1.00 0.00 C ATOM 543 C GLU A 450 -3.525 14.508 5.840 1.00 0.00 C ATOM 544 O GLU A 450 -3.527 14.795 7.036 1.00 0.00 O ATOM 545 CB GLU A 450 -2.837 16.861 5.249 1.00 0.00 C ATOM 546 CG GLU A 450 -4.204 17.473 4.938 1.00 0.00 C ATOM 547 CD GLU A 450 -4.406 17.628 3.430 1.00 0.00 C ATOM 548 OE1 GLU A 450 -5.508 17.375 2.922 1.00 0.00 O ATOM 549 OE2 GLU A 450 -3.366 18.028 2.779 1.00 0.00 O ATOM 0 H GLU A 450 -4.266 14.776 3.479 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.739 15.089 4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -2.631 16.947 6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -2.058 17.418 4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -4.991 16.842 5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -4.289 18.446 5.422 1.00 0.00 H new ATOM 557 N ILE A 451 -4.134 13.452 5.320 1.00 0.00 N ATOM 558 CA ILE A 451 -4.873 12.526 6.161 1.00 0.00 C ATOM 559 C ILE A 451 -4.405 11.098 5.873 1.00 0.00 C ATOM 560 O ILE A 451 -4.053 10.773 4.741 1.00 0.00 O ATOM 561 CB ILE A 451 -6.379 12.727 5.983 1.00 0.00 C ATOM 562 CG1 ILE A 451 -6.862 13.957 6.755 1.00 0.00 C ATOM 563 CG2 ILE A 451 -7.151 11.466 6.374 1.00 0.00 C ATOM 564 CD1 ILE A 451 -6.540 15.244 5.994 1.00 0.00 C ATOM 0 H ILE A 451 -4.131 13.217 4.327 1.00 0.00 H new ATOM 0 HA ILE A 451 -4.670 12.722 7.214 1.00 0.00 H new ATOM 0 HB ILE A 451 -6.577 12.910 4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -7.937 13.888 6.921 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -6.389 13.983 7.737 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -8.219 11.636 6.238 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -6.833 10.635 5.745 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -6.952 11.227 7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.894 16.102 6.565 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -5.462 15.322 5.851 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -7.034 15.226 5.023 1.00 0.00 H new ATOM 576 N ASP A 452 -4.417 10.283 6.917 1.00 0.00 N ATOM 577 CA ASP A 452 -4.000 8.897 6.792 1.00 0.00 C ATOM 578 C ASP A 452 -5.232 8.016 6.576 1.00 0.00 C ATOM 579 O ASP A 452 -6.197 8.095 7.334 1.00 0.00 O ATOM 580 CB ASP A 452 -3.291 8.417 8.060 1.00 0.00 C ATOM 581 CG ASP A 452 -3.431 6.924 8.353 1.00 0.00 C ATOM 582 OD1 ASP A 452 -4.460 6.469 8.874 1.00 0.00 O ATOM 583 OD2 ASP A 452 -2.413 6.204 8.018 1.00 0.00 O ATOM 0 H ASP A 452 -4.710 10.557 7.855 1.00 0.00 H new ATOM 0 HA ASP A 452 -3.314 8.827 5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -2.231 8.658 7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -3.681 8.977 8.910 1.00 0.00 H new ATOM 589 N VAL A 453 -5.156 7.193 5.538 1.00 0.00 N ATOM 590 CA VAL A 453 -6.253 6.297 5.213 1.00 0.00 C ATOM 591 C VAL A 453 -5.948 4.904 5.768 1.00 0.00 C ATOM 592 O VAL A 453 -4.790 4.572 6.019 1.00 0.00 O ATOM 593 CB VAL A 453 -6.502 6.299 3.705 1.00 0.00 C ATOM 594 CG1 VAL A 453 -5.290 6.853 2.951 1.00 0.00 C ATOM 595 CG2 VAL A 453 -6.864 4.899 3.207 1.00 0.00 C ATOM 0 H VAL A 453 -4.353 7.129 4.913 1.00 0.00 H new ATOM 0 HA VAL A 453 -7.177 6.638 5.680 1.00 0.00 H new ATOM 0 HB VAL A 453 -7.350 6.954 3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.492 6.844 1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -5.096 7.876 3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -4.417 6.235 3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -7.036 4.929 2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -6.046 4.212 3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -7.769 4.557 3.710 1.00 0.00 H new ATOM 605 N ASN A 454 -7.007 4.126 5.941 1.00 0.00 N ATOM 606 CA ASN A 454 -6.867 2.776 6.460 1.00 0.00 C ATOM 607 C ASN A 454 -6.403 1.848 5.335 1.00 0.00 C ATOM 608 O ASN A 454 -7.184 1.500 4.452 1.00 0.00 O ATOM 609 CB ASN A 454 -8.202 2.248 6.989 1.00 0.00 C ATOM 610 CG ASN A 454 -8.042 0.846 7.580 1.00 0.00 C ATOM 611 OD1 ASN A 454 -7.222 0.052 7.148 1.00 0.00 O ATOM 612 ND2 ASN A 454 -8.869 0.587 8.589 1.00 0.00 N ATOM 0 H ASN A 454 -7.965 4.405 5.731 1.00 0.00 H new ATOM 0 HA ASN A 454 -6.142 2.800 7.273 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -8.589 2.925 7.750 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -8.934 2.225 6.181 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -8.841 -0.322 9.051 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -9.531 1.297 8.901 1.00 0.00 H new ATOM 619 N GLU A 455 -5.134 1.472 5.407 1.00 0.00 N ATOM 620 CA GLU A 455 -4.558 0.591 4.406 1.00 0.00 C ATOM 621 C GLU A 455 -4.958 -0.860 4.684 1.00 0.00 C ATOM 622 O GLU A 455 -4.890 -1.708 3.795 1.00 0.00 O ATOM 623 CB GLU A 455 -3.037 0.740 4.356 1.00 0.00 C ATOM 624 CG GLU A 455 -2.617 1.705 3.245 1.00 0.00 C ATOM 625 CD GLU A 455 -2.637 3.154 3.741 1.00 0.00 C ATOM 626 OE1 GLU A 455 -1.573 3.773 3.888 1.00 0.00 O ATOM 627 OE2 GLU A 455 -3.812 3.632 3.974 1.00 0.00 O ATOM 0 H GLU A 455 -4.489 1.761 6.143 1.00 0.00 H new ATOM 0 HA GLU A 455 -4.950 0.875 3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -2.672 1.104 5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -2.578 -0.234 4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -1.616 1.450 2.896 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -3.289 1.599 2.393 1.00 0.00 H new ATOM 635 N CYS A 456 -5.365 -1.102 5.922 1.00 0.00 N ATOM 636 CA CYS A 456 -5.775 -2.436 6.326 1.00 0.00 C ATOM 637 C CYS A 456 -7.302 -2.511 6.255 1.00 0.00 C ATOM 638 O CYS A 456 -7.918 -3.342 6.922 1.00 0.00 O ATOM 639 CB CYS A 456 -5.252 -2.790 7.720 1.00 0.00 C ATOM 640 SG CYS A 456 -6.444 -2.517 9.080 1.00 0.00 S ATOM 0 H CYS A 456 -5.419 -0.397 6.658 1.00 0.00 H new ATOM 0 HA CYS A 456 -5.343 -3.173 5.649 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -4.951 -3.838 7.724 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -4.357 -2.201 7.917 1.00 0.00 H new ATOM 645 N VAL A 457 -7.868 -1.634 5.439 1.00 0.00 N ATOM 646 CA VAL A 457 -9.309 -1.591 5.271 1.00 0.00 C ATOM 647 C VAL A 457 -9.705 -2.445 4.064 1.00 0.00 C ATOM 648 O VAL A 457 -10.501 -3.375 4.191 1.00 0.00 O ATOM 649 CB VAL A 457 -9.781 -0.140 5.156 1.00 0.00 C ATOM 650 CG1 VAL A 457 -10.440 0.116 3.800 1.00 0.00 C ATOM 651 CG2 VAL A 457 -10.726 0.222 6.303 1.00 0.00 C ATOM 0 H VAL A 457 -7.354 -0.948 4.887 1.00 0.00 H new ATOM 0 HA VAL A 457 -9.806 -2.012 6.145 1.00 0.00 H new ATOM 0 HB VAL A 457 -8.905 0.504 5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -10.766 1.155 3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -9.723 -0.082 3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -11.301 -0.542 3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -11.046 1.258 6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -11.598 -0.432 6.276 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -10.208 0.098 7.254 1.00 0.00 H new ATOM 661 N SER A 458 -9.130 -2.100 2.922 1.00 0.00 N ATOM 662 CA SER A 458 -9.411 -2.822 1.693 1.00 0.00 C ATOM 663 C SER A 458 -8.360 -3.913 1.476 1.00 0.00 C ATOM 664 O SER A 458 -8.369 -4.592 0.450 1.00 0.00 O ATOM 665 CB SER A 458 -9.451 -1.875 0.493 1.00 0.00 C ATOM 666 OG SER A 458 -10.705 -1.920 -0.183 1.00 0.00 O ATOM 0 H SER A 458 -8.470 -1.329 2.822 1.00 0.00 H new ATOM 0 HA SER A 458 -10.393 -3.286 1.786 1.00 0.00 H new ATOM 0 HB2 SER A 458 -9.257 -0.856 0.829 1.00 0.00 H new ATOM 0 HB3 SER A 458 -8.655 -2.138 -0.203 1.00 0.00 H new ATOM 0 HG SER A 458 -10.690 -1.300 -0.942 1.00 0.00 H new ATOM 672 N ASN A 459 -7.479 -4.046 2.456 1.00 0.00 N ATOM 673 CA ASN A 459 -6.425 -5.042 2.385 1.00 0.00 C ATOM 674 C ASN A 459 -6.221 -5.665 3.767 1.00 0.00 C ATOM 675 O ASN A 459 -5.099 -5.734 4.262 1.00 0.00 O ATOM 676 CB ASN A 459 -5.100 -4.411 1.951 1.00 0.00 C ATOM 677 CG ASN A 459 -5.338 -3.220 1.020 1.00 0.00 C ATOM 678 OD1 ASN A 459 -5.940 -2.188 1.604 1.00 0.00 O flip ATOM 679 ND2 ASN A 459 -4.998 -3.239 -0.151 1.00 0.00 N flip ATOM 0 H ASN A 459 -7.474 -3.480 3.304 1.00 0.00 H new ATOM 0 HA ASN A 459 -6.723 -5.795 1.656 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -4.544 -4.085 2.830 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -4.487 -5.156 1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -4.540 -4.065 -0.536 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -5.172 -2.429 -0.746 1.00 0.00 H new ATOM 686 N PRO A 460 -7.357 -6.114 4.367 1.00 0.00 N ATOM 687 CA PRO A 460 -7.315 -6.729 5.682 1.00 0.00 C ATOM 688 C PRO A 460 -6.753 -8.149 5.607 1.00 0.00 C ATOM 689 O PRO A 460 -6.665 -8.842 6.620 1.00 0.00 O ATOM 690 CB PRO A 460 -8.749 -6.684 6.184 1.00 0.00 C ATOM 691 CG PRO A 460 -9.614 -6.473 4.952 1.00 0.00 C ATOM 692 CD PRO A 460 -8.706 -6.047 3.811 1.00 0.00 C ATOM 0 HA PRO A 460 -6.650 -6.206 6.369 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -9.014 -7.610 6.694 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -8.887 -5.875 6.901 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -10.143 -7.391 4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -10.370 -5.711 5.143 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -8.813 -6.708 2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -8.944 -5.040 3.470 1.00 0.00 H new ATOM 700 N CYS A 461 -6.385 -8.542 4.395 1.00 0.00 N ATOM 701 CA CYS A 461 -5.834 -9.867 4.174 1.00 0.00 C ATOM 702 C CYS A 461 -6.968 -10.887 4.298 1.00 0.00 C ATOM 703 O CYS A 461 -6.723 -12.066 4.551 1.00 0.00 O ATOM 704 CB CYS A 461 -4.685 -10.172 5.138 1.00 0.00 C ATOM 705 SG CYS A 461 -3.014 -10.061 4.401 1.00 0.00 S ATOM 0 H CYS A 461 -6.458 -7.965 3.557 1.00 0.00 H new ATOM 0 HA CYS A 461 -5.405 -9.921 3.173 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -4.742 -9.481 5.979 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -4.823 -11.176 5.540 1.00 0.00 H new ATOM 710 N GLN A 462 -8.185 -10.396 4.113 1.00 0.00 N ATOM 711 CA GLN A 462 -9.357 -11.249 4.202 1.00 0.00 C ATOM 712 C GLN A 462 -9.854 -11.322 5.647 1.00 0.00 C ATOM 713 O GLN A 462 -9.693 -10.372 6.411 1.00 0.00 O ATOM 714 CB GLN A 462 -9.061 -12.646 3.652 1.00 0.00 C ATOM 715 CG GLN A 462 -10.254 -13.188 2.861 1.00 0.00 C ATOM 716 CD GLN A 462 -9.982 -14.609 2.363 1.00 0.00 C ATOM 717 OE1 GLN A 462 -10.573 -15.576 2.814 1.00 0.00 O ATOM 718 NE2 GLN A 462 -9.054 -14.682 1.413 1.00 0.00 N ATOM 0 H GLN A 462 -8.384 -9.418 3.902 1.00 0.00 H new ATOM 0 HA GLN A 462 -10.146 -10.813 3.590 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -8.181 -12.609 3.010 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -8.828 -13.323 4.474 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -11.144 -13.183 3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -10.460 -12.535 2.013 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -8.597 -13.833 1.080 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -8.799 -15.587 1.018 1.00 0.00 H new ATOM 727 N ASN A 463 -10.446 -12.460 5.979 1.00 0.00 N ATOM 728 CA ASN A 463 -10.966 -12.669 7.319 1.00 0.00 C ATOM 729 C ASN A 463 -9.988 -13.540 8.111 1.00 0.00 C ATOM 730 O ASN A 463 -9.926 -13.454 9.336 1.00 0.00 O ATOM 731 CB ASN A 463 -12.315 -13.389 7.280 1.00 0.00 C ATOM 732 CG ASN A 463 -13.189 -12.857 6.142 1.00 0.00 C ATOM 733 OD1 ASN A 463 -12.941 -13.417 4.963 1.00 0.00 O flip ATOM 734 ND2 ASN A 463 -14.032 -11.993 6.325 1.00 0.00 N flip ATOM 0 H ASN A 463 -10.577 -13.247 5.343 1.00 0.00 H new ATOM 0 HA ASN A 463 -11.091 -11.693 7.788 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -12.156 -14.460 7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -12.830 -13.256 8.231 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -14.171 -11.605 7.258 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -14.598 -11.659 5.545 1.00 0.00 H new ATOM 741 N ASP A 464 -9.249 -14.359 7.378 1.00 0.00 N ATOM 742 CA ASP A 464 -8.277 -15.245 7.997 1.00 0.00 C ATOM 743 C ASP A 464 -6.911 -14.556 8.026 1.00 0.00 C ATOM 744 O ASP A 464 -5.956 -15.036 7.418 1.00 0.00 O ATOM 745 CB ASP A 464 -8.133 -16.545 7.203 1.00 0.00 C ATOM 746 CG ASP A 464 -8.138 -16.378 5.683 1.00 0.00 C ATOM 747 OD1 ASP A 464 -7.152 -15.922 5.087 1.00 0.00 O ATOM 748 OD2 ASP A 464 -9.229 -16.744 5.097 1.00 0.00 O ATOM 0 H ASP A 464 -9.303 -14.428 6.362 1.00 0.00 H new ATOM 0 HA ASP A 464 -8.623 -15.474 9.005 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -7.203 -17.031 7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -8.946 -17.216 7.482 1.00 0.00 H new ATOM 754 N ALA A 465 -6.863 -13.440 8.741 1.00 0.00 N ATOM 755 CA ALA A 465 -5.630 -12.681 8.857 1.00 0.00 C ATOM 756 C ALA A 465 -5.923 -11.343 9.543 1.00 0.00 C ATOM 757 O ALA A 465 -6.925 -10.695 9.243 1.00 0.00 O ATOM 758 CB ALA A 465 -5.008 -12.500 7.471 1.00 0.00 C ATOM 0 H ALA A 465 -7.657 -13.045 9.244 1.00 0.00 H new ATOM 0 HA ALA A 465 -4.906 -13.217 9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -4.083 -11.930 7.559 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -4.793 -13.477 7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -5.705 -11.963 6.827 1.00 0.00 H new ATOM 764 N THR A 466 -5.031 -10.972 10.449 1.00 0.00 N ATOM 765 CA THR A 466 -5.182 -9.726 11.179 1.00 0.00 C ATOM 766 C THR A 466 -4.786 -8.539 10.298 1.00 0.00 C ATOM 767 O THR A 466 -3.997 -8.690 9.366 1.00 0.00 O ATOM 768 CB THR A 466 -4.357 -9.829 12.464 1.00 0.00 C ATOM 769 OG1 THR A 466 -5.033 -10.823 13.231 1.00 0.00 O ATOM 770 CG2 THR A 466 -4.453 -8.567 13.325 1.00 0.00 C ATOM 0 H THR A 466 -4.201 -11.512 10.694 1.00 0.00 H new ATOM 0 HA THR A 466 -6.222 -9.553 11.455 1.00 0.00 H new ATOM 0 HB THR A 466 -3.314 -10.018 12.211 1.00 0.00 H new ATOM 0 HG1 THR A 466 -4.564 -10.955 14.081 1.00 0.00 H new ATOM 0 HG21 THR A 466 -3.850 -8.693 14.224 1.00 0.00 H new ATOM 0 HG22 THR A 466 -4.086 -7.711 12.758 1.00 0.00 H new ATOM 0 HG23 THR A 466 -5.492 -8.397 13.607 1.00 0.00 H new ATOM 778 N CYS A 467 -5.352 -7.387 10.623 1.00 0.00 N ATOM 779 CA CYS A 467 -5.069 -6.176 9.872 1.00 0.00 C ATOM 780 C CYS A 467 -4.579 -5.107 10.850 1.00 0.00 C ATOM 781 O CYS A 467 -5.230 -4.840 11.860 1.00 0.00 O ATOM 782 CB CYS A 467 -6.287 -5.706 9.075 1.00 0.00 C ATOM 783 SG CYS A 467 -7.134 -4.237 9.764 1.00 0.00 S ATOM 0 H CYS A 467 -6.006 -7.266 11.397 1.00 0.00 H new ATOM 0 HA CYS A 467 -4.291 -6.376 9.135 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -5.972 -5.482 8.056 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -7.003 -6.526 9.015 1.00 0.00 H new ATOM 788 N LEU A 468 -3.437 -4.523 10.517 1.00 0.00 N ATOM 789 CA LEU A 468 -2.853 -3.489 11.355 1.00 0.00 C ATOM 790 C LEU A 468 -2.590 -2.242 10.508 1.00 0.00 C ATOM 791 O LEU A 468 -1.621 -2.196 9.750 1.00 0.00 O ATOM 792 CB LEU A 468 -1.610 -4.019 12.073 1.00 0.00 C ATOM 793 CG LEU A 468 -1.858 -5.081 13.146 1.00 0.00 C ATOM 794 CD1 LEU A 468 -0.576 -5.381 13.926 1.00 0.00 C ATOM 795 CD2 LEU A 468 -3.008 -4.670 14.068 1.00 0.00 C ATOM 0 H LEU A 468 -2.901 -4.746 9.679 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.548 -3.199 12.143 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -0.934 -4.436 11.327 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -1.095 -3.177 12.535 1.00 0.00 H new ATOM 0 HG LEU A 468 -2.157 -6.005 12.651 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.779 -6.139 14.683 1.00 0.00 H new ATOM 0 HD12 LEU A 468 0.189 -5.748 13.242 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -0.223 -4.470 14.410 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -3.164 -5.442 14.822 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -2.762 -3.728 14.559 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -3.918 -4.547 13.481 1.00 0.00 H new ATOM 807 N ASP A 469 -3.467 -1.262 10.666 1.00 0.00 N ATOM 808 CA ASP A 469 -3.340 -0.018 9.926 1.00 0.00 C ATOM 809 C ASP A 469 -2.227 0.829 10.546 1.00 0.00 C ATOM 810 O ASP A 469 -2.287 1.172 11.726 1.00 0.00 O ATOM 811 CB ASP A 469 -4.637 0.791 9.984 1.00 0.00 C ATOM 812 CG ASP A 469 -4.564 2.178 9.344 1.00 0.00 C ATOM 813 OD1 ASP A 469 -5.362 3.072 9.662 1.00 0.00 O ATOM 814 OD2 ASP A 469 -3.625 2.326 8.470 1.00 0.00 O ATOM 0 H ASP A 469 -4.268 -1.304 11.296 1.00 0.00 H new ATOM 0 HA ASP A 469 -3.114 -0.265 8.889 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -5.425 0.221 9.491 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -4.930 0.904 11.028 1.00 0.00 H new ATOM 820 N GLN A 470 -1.237 1.140 9.723 1.00 0.00 N ATOM 821 CA GLN A 470 -0.112 1.940 10.175 1.00 0.00 C ATOM 822 C GLN A 470 -0.061 3.265 9.410 1.00 0.00 C ATOM 823 O GLN A 470 -0.972 3.581 8.648 1.00 0.00 O ATOM 824 CB GLN A 470 1.203 1.171 10.026 1.00 0.00 C ATOM 825 CG GLN A 470 1.695 0.660 11.382 1.00 0.00 C ATOM 826 CD GLN A 470 2.142 -0.801 11.287 1.00 0.00 C ATOM 827 OE1 GLN A 470 1.149 -1.679 11.401 1.00 0.00 O flip ATOM 828 NE2 GLN A 470 3.311 -1.110 11.121 1.00 0.00 N flip ATOM 0 H GLN A 470 -1.191 0.852 8.746 1.00 0.00 H new ATOM 0 HA GLN A 470 -0.250 2.159 11.234 1.00 0.00 H new ATOM 0 HB2 GLN A 470 1.062 0.331 9.346 1.00 0.00 H new ATOM 0 HB3 GLN A 470 1.959 1.818 9.581 1.00 0.00 H new ATOM 0 HG2 GLN A 470 2.525 1.276 11.728 1.00 0.00 H new ATOM 0 HG3 GLN A 470 0.899 0.753 12.121 1.00 0.00 H new ATOM 0 HE21 GLN A 470 4.024 -0.385 11.041 1.00 0.00 H new ATOM 0 HE22 GLN A 470 3.575 -2.093 11.062 1.00 0.00 H new ATOM 837 N ILE A 471 1.015 4.004 9.644 1.00 0.00 N ATOM 838 CA ILE A 471 1.196 5.288 8.986 1.00 0.00 C ATOM 839 C ILE A 471 1.445 5.061 7.493 1.00 0.00 C ATOM 840 O ILE A 471 2.438 4.445 7.112 1.00 0.00 O ATOM 841 CB ILE A 471 2.297 6.092 9.678 1.00 0.00 C ATOM 842 CG1 ILE A 471 3.372 5.167 10.254 1.00 0.00 C ATOM 843 CG2 ILE A 471 1.712 7.023 10.741 1.00 0.00 C ATOM 844 CD1 ILE A 471 3.860 4.171 9.201 1.00 0.00 C ATOM 0 H ILE A 471 1.768 3.739 10.278 1.00 0.00 H new ATOM 0 HA ILE A 471 0.292 5.891 9.070 1.00 0.00 H new ATOM 0 HB ILE A 471 2.780 6.722 8.931 1.00 0.00 H new ATOM 0 HG12 ILE A 471 4.212 5.760 10.615 1.00 0.00 H new ATOM 0 HG13 ILE A 471 2.971 4.627 11.112 1.00 0.00 H new ATOM 0 HG21 ILE A 471 2.517 7.583 11.217 1.00 0.00 H new ATOM 0 HG22 ILE A 471 1.015 7.718 10.272 1.00 0.00 H new ATOM 0 HG23 ILE A 471 1.187 6.433 11.492 1.00 0.00 H new ATOM 0 HD11 ILE A 471 4.623 3.526 9.636 1.00 0.00 H new ATOM 0 HD12 ILE A 471 3.022 3.563 8.860 1.00 0.00 H new ATOM 0 HD13 ILE A 471 4.283 4.713 8.355 1.00 0.00 H new ATOM 856 N GLY A 472 0.524 5.572 6.689 1.00 0.00 N ATOM 857 CA GLY A 472 0.631 5.434 5.247 1.00 0.00 C ATOM 858 C GLY A 472 1.049 4.013 4.862 1.00 0.00 C ATOM 859 O GLY A 472 1.598 3.794 3.783 1.00 0.00 O ATOM 0 H GLY A 472 -0.299 6.082 7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -0.326 5.674 4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 472 1.359 6.148 4.863 1.00 0.00 H new ATOM 863 N GLU A 473 0.773 3.085 5.765 1.00 0.00 N ATOM 864 CA GLU A 473 1.115 1.691 5.534 1.00 0.00 C ATOM 865 C GLU A 473 0.424 0.796 6.566 1.00 0.00 C ATOM 866 O GLU A 473 0.097 1.247 7.663 1.00 0.00 O ATOM 867 CB GLU A 473 2.631 1.486 5.558 1.00 0.00 C ATOM 868 CG GLU A 473 3.180 1.626 6.980 1.00 0.00 C ATOM 869 CD GLU A 473 3.820 0.318 7.451 1.00 0.00 C ATOM 870 OE1 GLU A 473 3.115 -0.573 7.948 1.00 0.00 O ATOM 871 OE2 GLU A 473 5.097 0.247 7.287 1.00 0.00 O ATOM 0 H GLU A 473 0.317 3.270 6.658 1.00 0.00 H new ATOM 0 HA GLU A 473 0.760 1.410 4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 473 2.874 0.499 5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.111 2.215 4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 473 3.917 2.428 7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 473 2.375 1.906 7.659 1.00 0.00 H new ATOM 879 N PHE A 474 0.222 -0.454 6.179 1.00 0.00 N ATOM 880 CA PHE A 474 -0.423 -1.415 7.056 1.00 0.00 C ATOM 881 C PHE A 474 0.231 -2.793 6.937 1.00 0.00 C ATOM 882 O PHE A 474 0.935 -3.068 5.966 1.00 0.00 O ATOM 883 CB PHE A 474 -1.884 -1.517 6.610 1.00 0.00 C ATOM 884 CG PHE A 474 -2.178 -2.718 5.710 1.00 0.00 C ATOM 885 CD1 PHE A 474 -1.855 -2.674 4.389 1.00 0.00 C ATOM 886 CD2 PHE A 474 -2.759 -3.833 6.231 1.00 0.00 C ATOM 887 CE1 PHE A 474 -2.127 -3.790 3.554 1.00 0.00 C ATOM 888 CE2 PHE A 474 -3.032 -4.947 5.396 1.00 0.00 C ATOM 889 CZ PHE A 474 -2.710 -4.903 4.075 1.00 0.00 C ATOM 0 H PHE A 474 0.494 -0.824 5.268 1.00 0.00 H new ATOM 0 HA PHE A 474 -0.335 -1.090 8.093 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -2.520 -1.574 7.494 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -2.156 -0.604 6.080 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -1.392 -1.790 3.975 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -3.012 -3.870 7.280 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -1.871 -3.755 2.505 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -3.496 -5.830 5.809 1.00 0.00 H new ATOM 0 HZ PHE A 474 -2.917 -5.752 3.440 1.00 0.00 H new ATOM 899 N GLN A 475 -0.025 -3.622 7.939 1.00 0.00 N ATOM 900 CA GLN A 475 0.531 -4.965 7.958 1.00 0.00 C ATOM 901 C GLN A 475 -0.506 -5.961 8.479 1.00 0.00 C ATOM 902 O GLN A 475 -1.155 -5.713 9.494 1.00 0.00 O ATOM 903 CB GLN A 475 1.810 -5.017 8.796 1.00 0.00 C ATOM 904 CG GLN A 475 1.491 -5.300 10.266 1.00 0.00 C ATOM 905 CD GLN A 475 2.770 -5.571 11.062 1.00 0.00 C ATOM 906 OE1 GLN A 475 2.781 -6.747 11.682 1.00 0.00 O flip ATOM 907 NE2 GLN A 475 3.684 -4.765 11.110 1.00 0.00 N flip ATOM 0 H GLN A 475 -0.609 -3.390 8.742 1.00 0.00 H new ATOM 0 HA GLN A 475 0.793 -5.243 6.937 1.00 0.00 H new ATOM 0 HB2 GLN A 475 2.472 -5.791 8.408 1.00 0.00 H new ATOM 0 HB3 GLN A 475 2.343 -4.070 8.712 1.00 0.00 H new ATOM 0 HG2 GLN A 475 0.963 -4.450 10.698 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.824 -6.159 10.338 1.00 0.00 H new ATOM 0 HE21 GLN A 475 3.610 -3.879 10.609 1.00 0.00 H new ATOM 0 HE22 GLN A 475 4.523 -4.976 11.651 1.00 0.00 H new ATOM 916 N CYS A 476 -0.630 -7.066 7.760 1.00 0.00 N ATOM 917 CA CYS A 476 -1.578 -8.103 8.138 1.00 0.00 C ATOM 918 C CYS A 476 -0.790 -9.345 8.555 1.00 0.00 C ATOM 919 O CYS A 476 0.181 -9.719 7.899 1.00 0.00 O ATOM 920 CB CYS A 476 -2.564 -8.404 7.008 1.00 0.00 C ATOM 921 SG CYS A 476 -1.791 -8.829 5.405 1.00 0.00 S ATOM 0 H CYS A 476 -0.091 -7.267 6.918 1.00 0.00 H new ATOM 0 HA CYS A 476 -2.182 -7.760 8.978 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -3.206 -9.230 7.316 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -3.207 -7.536 6.866 1.00 0.00 H new ATOM 926 N ILE A 477 -1.239 -9.953 9.644 1.00 0.00 N ATOM 927 CA ILE A 477 -0.589 -11.146 10.156 1.00 0.00 C ATOM 928 C ILE A 477 -1.284 -12.386 9.588 1.00 0.00 C ATOM 929 O ILE A 477 -2.476 -12.590 9.812 1.00 0.00 O ATOM 930 CB ILE A 477 -0.541 -11.117 11.685 1.00 0.00 C ATOM 931 CG1 ILE A 477 0.258 -9.910 12.185 1.00 0.00 C ATOM 932 CG2 ILE A 477 0.002 -12.433 12.243 1.00 0.00 C ATOM 933 CD1 ILE A 477 1.664 -9.895 11.581 1.00 0.00 C ATOM 0 H ILE A 477 -2.045 -9.641 10.185 1.00 0.00 H new ATOM 0 HA ILE A 477 0.450 -11.183 9.827 1.00 0.00 H new ATOM 0 HB ILE A 477 -1.560 -11.007 12.056 1.00 0.00 H new ATOM 0 HG12 ILE A 477 -0.264 -8.990 11.923 1.00 0.00 H new ATOM 0 HG13 ILE A 477 0.326 -9.939 13.272 1.00 0.00 H new ATOM 0 HG21 ILE A 477 0.025 -12.385 13.332 1.00 0.00 H new ATOM 0 HG22 ILE A 477 -0.642 -13.254 11.930 1.00 0.00 H new ATOM 0 HG23 ILE A 477 1.011 -12.599 11.866 1.00 0.00 H new ATOM 0 HD11 ILE A 477 2.210 -9.028 11.952 1.00 0.00 H new ATOM 0 HD12 ILE A 477 2.192 -10.805 11.865 1.00 0.00 H new ATOM 0 HD13 ILE A 477 1.593 -9.841 10.495 1.00 0.00 H new ATOM 945 N CYS A 478 -0.509 -13.179 8.862 1.00 0.00 N ATOM 946 CA CYS A 478 -1.037 -14.392 8.260 1.00 0.00 C ATOM 947 C CYS A 478 -0.599 -15.582 9.115 1.00 0.00 C ATOM 948 O CYS A 478 0.308 -15.460 9.937 1.00 0.00 O ATOM 949 CB CYS A 478 -0.589 -14.540 6.804 1.00 0.00 C ATOM 950 SG CYS A 478 -0.680 -13.004 5.813 1.00 0.00 S ATOM 0 H CYS A 478 0.479 -13.006 8.677 1.00 0.00 H new ATOM 0 HA CYS A 478 -2.126 -14.346 8.235 1.00 0.00 H new ATOM 0 HB2 CYS A 478 0.438 -14.904 6.790 1.00 0.00 H new ATOM 0 HB3 CYS A 478 -1.204 -15.302 6.325 1.00 0.00 H new ATOM 955 N MET A 479 -1.263 -16.706 8.891 1.00 0.00 N ATOM 956 CA MET A 479 -0.955 -17.918 9.631 1.00 0.00 C ATOM 957 C MET A 479 0.207 -18.675 8.984 1.00 0.00 C ATOM 958 O MET A 479 0.428 -18.567 7.779 1.00 0.00 O ATOM 959 CB MET A 479 -2.190 -18.819 9.675 1.00 0.00 C ATOM 960 CG MET A 479 -3.349 -18.125 10.393 1.00 0.00 C ATOM 961 SD MET A 479 -4.905 -18.771 9.803 1.00 0.00 S ATOM 962 CE MET A 479 -5.514 -19.529 11.299 1.00 0.00 C ATOM 0 H MET A 479 -2.014 -16.803 8.207 1.00 0.00 H new ATOM 0 HA MET A 479 -0.663 -17.638 10.643 1.00 0.00 H new ATOM 0 HB2 MET A 479 -2.490 -19.080 8.660 1.00 0.00 H new ATOM 0 HB3 MET A 479 -1.947 -19.751 10.186 1.00 0.00 H new ATOM 0 HG2 MET A 479 -3.266 -18.279 11.469 1.00 0.00 H new ATOM 0 HG3 MET A 479 -3.303 -17.050 10.221 1.00 0.00 H new ATOM 0 HE1 MET A 479 -6.486 -19.984 11.107 1.00 0.00 H new ATOM 0 HE2 MET A 479 -4.813 -20.296 11.630 1.00 0.00 H new ATOM 0 HE3 MET A 479 -5.616 -18.771 12.076 1.00 0.00 H new ATOM 972 N PRO A 480 0.938 -19.444 9.835 1.00 0.00 N ATOM 973 CA PRO A 480 2.071 -20.218 9.359 1.00 0.00 C ATOM 974 C PRO A 480 1.605 -21.455 8.587 1.00 0.00 C ATOM 975 O PRO A 480 1.922 -22.582 8.964 1.00 0.00 O ATOM 976 CB PRO A 480 2.866 -20.563 10.609 1.00 0.00 C ATOM 977 CG PRO A 480 1.910 -20.370 11.776 1.00 0.00 C ATOM 978 CD PRO A 480 0.705 -19.596 11.269 1.00 0.00 C ATOM 0 HA PRO A 480 2.688 -19.666 8.650 1.00 0.00 H new ATOM 0 HB2 PRO A 480 3.232 -21.589 10.569 1.00 0.00 H new ATOM 0 HB3 PRO A 480 3.739 -19.917 10.708 1.00 0.00 H new ATOM 0 HG2 PRO A 480 1.602 -21.334 12.180 1.00 0.00 H new ATOM 0 HG3 PRO A 480 2.400 -19.827 12.585 1.00 0.00 H new ATOM 0 HD2 PRO A 480 -0.222 -20.134 11.465 1.00 0.00 H new ATOM 0 HD3 PRO A 480 0.621 -18.627 11.761 1.00 0.00 H new ATOM 986 N GLY A 481 0.859 -21.201 7.522 1.00 0.00 N ATOM 987 CA GLY A 481 0.347 -22.279 6.695 1.00 0.00 C ATOM 988 C GLY A 481 -0.012 -21.773 5.296 1.00 0.00 C ATOM 989 O GLY A 481 0.246 -22.450 4.301 1.00 0.00 O ATOM 0 H GLY A 481 0.597 -20.265 7.213 1.00 0.00 H new ATOM 0 HA2 GLY A 481 1.093 -23.070 6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 481 -0.534 -22.716 7.165 1.00 0.00 H new ATOM 993 N TYR A 482 -0.604 -20.588 5.263 1.00 0.00 N ATOM 994 CA TYR A 482 -1.000 -19.983 4.002 1.00 0.00 C ATOM 995 C TYR A 482 -0.243 -18.677 3.758 1.00 0.00 C ATOM 996 O TYR A 482 0.457 -18.187 4.643 1.00 0.00 O ATOM 997 CB TYR A 482 -2.493 -19.678 4.134 1.00 0.00 C ATOM 998 CG TYR A 482 -3.383 -20.921 4.163 1.00 0.00 C ATOM 999 CD1 TYR A 482 -3.420 -21.718 5.289 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -4.150 -21.247 3.062 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -4.258 -22.888 5.316 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -4.988 -22.418 3.089 1.00 0.00 C ATOM 1003 CZ TYR A 482 -5.001 -23.181 4.215 1.00 0.00 C ATOM 1004 OH TYR A 482 -5.793 -24.287 4.240 1.00 0.00 O ATOM 0 H TYR A 482 -0.819 -20.030 6.089 1.00 0.00 H new ATOM 0 HA TYR A 482 -0.781 -20.651 3.169 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -2.657 -19.105 5.047 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -2.799 -19.045 3.301 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -2.820 -21.464 6.150 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -4.121 -20.624 2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -4.296 -23.519 6.191 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -5.592 -22.684 2.235 1.00 0.00 H new ATOM 0 HH TYR A 482 -6.087 -24.458 5.159 1.00 0.00 H new ATOM 1014 N GLU A 483 -0.408 -18.150 2.555 1.00 0.00 N ATOM 1015 CA GLU A 483 0.251 -16.911 2.182 1.00 0.00 C ATOM 1016 C GLU A 483 -0.564 -16.175 1.116 1.00 0.00 C ATOM 1017 O GLU A 483 -1.652 -16.614 0.750 1.00 0.00 O ATOM 1018 CB GLU A 483 1.678 -17.171 1.698 1.00 0.00 C ATOM 1019 CG GLU A 483 2.672 -16.239 2.393 1.00 0.00 C ATOM 1020 CD GLU A 483 3.140 -15.132 1.447 1.00 0.00 C ATOM 1021 OE1 GLU A 483 2.571 -14.029 1.455 1.00 0.00 O ATOM 1022 OE2 GLU A 483 4.132 -15.447 0.684 1.00 0.00 O ATOM 0 H GLU A 483 -0.990 -18.559 1.824 1.00 0.00 H new ATOM 0 HA GLU A 483 0.313 -16.277 3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 483 1.949 -18.208 1.894 1.00 0.00 H new ATOM 0 HB3 GLU A 483 1.732 -17.026 0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 483 2.206 -15.797 3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 483 3.531 -16.812 2.741 1.00 0.00 H new ATOM 1030 N GLY A 484 -0.005 -15.069 0.649 1.00 0.00 N ATOM 1031 CA GLY A 484 -0.665 -14.268 -0.369 1.00 0.00 C ATOM 1032 C GLY A 484 -1.138 -12.932 0.207 1.00 0.00 C ATOM 1033 O GLY A 484 -0.884 -12.629 1.372 1.00 0.00 O ATOM 0 H GLY A 484 0.898 -14.708 0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 484 0.021 -14.089 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -1.516 -14.816 -0.773 1.00 0.00 H new ATOM 1037 N VAL A 485 -1.817 -12.168 -0.636 1.00 0.00 N ATOM 1038 CA VAL A 485 -2.327 -10.870 -0.226 1.00 0.00 C ATOM 1039 C VAL A 485 -3.584 -11.066 0.623 1.00 0.00 C ATOM 1040 O VAL A 485 -3.954 -10.191 1.404 1.00 0.00 O ATOM 1041 CB VAL A 485 -2.565 -9.990 -1.453 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -4.055 -9.911 -1.792 1.00 0.00 C ATOM 1043 CG2 VAL A 485 -1.975 -8.593 -1.250 1.00 0.00 C ATOM 0 H VAL A 485 -2.026 -12.423 -1.601 1.00 0.00 H new ATOM 0 HA VAL A 485 -1.595 -10.350 0.392 1.00 0.00 H new ATOM 0 HB VAL A 485 -2.053 -10.450 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -4.196 -9.279 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -4.434 -10.911 -2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -4.598 -9.487 -0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 485 -2.159 -7.988 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 485 -2.444 -8.122 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 485 -0.901 -8.673 -1.081 1.00 0.00 H new ATOM 1053 N HIS A 486 -4.207 -12.222 0.439 1.00 0.00 N ATOM 1054 CA HIS A 486 -5.417 -12.544 1.178 1.00 0.00 C ATOM 1055 C HIS A 486 -5.103 -13.600 2.240 1.00 0.00 C ATOM 1056 O HIS A 486 -6.008 -14.117 2.894 1.00 0.00 O ATOM 1057 CB HIS A 486 -6.536 -12.973 0.229 1.00 0.00 C ATOM 1058 CG HIS A 486 -6.214 -12.768 -1.232 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -5.246 -13.321 -2.018 1.00 0.00 N flip ATOM 1060 CD2 HIS A 486 -6.930 -11.905 -2.044 1.00 0.00 C flip ATOM 1061 CE1 HIS A 486 -5.365 -12.826 -3.243 1.00 0.00 C flip ATOM 1062 NE2 HIS A 486 -6.408 -11.946 -3.260 1.00 0.00 N flip ATOM 0 H HIS A 486 -3.897 -12.946 -0.210 1.00 0.00 H new ATOM 0 HA HIS A 486 -5.779 -11.655 1.694 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -6.757 -14.027 0.397 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -7.440 -12.415 0.473 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -7.771 -11.301 -1.738 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -4.740 -13.078 -4.087 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -6.729 -11.413 -4.068 1.00 0.00 H new ATOM 1070 N CYS A 487 -3.817 -13.888 2.381 1.00 0.00 N ATOM 1071 CA CYS A 487 -3.372 -14.874 3.351 1.00 0.00 C ATOM 1072 C CYS A 487 -4.274 -16.104 3.235 1.00 0.00 C ATOM 1073 O CYS A 487 -4.524 -16.790 4.224 1.00 0.00 O ATOM 1074 CB CYS A 487 -3.365 -14.304 4.772 1.00 0.00 C ATOM 1075 SG CYS A 487 -2.395 -12.766 4.977 1.00 0.00 S ATOM 0 H CYS A 487 -3.069 -13.455 1.839 1.00 0.00 H new ATOM 0 HA CYS A 487 -2.342 -15.159 3.138 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -4.394 -14.111 5.076 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -2.969 -15.060 5.450 1.00 0.00 H new ATOM 1080 N GLU A 488 -4.737 -16.345 2.018 1.00 0.00 N ATOM 1081 CA GLU A 488 -5.605 -17.481 1.758 1.00 0.00 C ATOM 1082 C GLU A 488 -5.015 -18.360 0.654 1.00 0.00 C ATOM 1083 O GLU A 488 -5.680 -19.264 0.153 1.00 0.00 O ATOM 1084 CB GLU A 488 -7.018 -17.021 1.396 1.00 0.00 C ATOM 1085 CG GLU A 488 -7.960 -18.215 1.232 1.00 0.00 C ATOM 1086 CD GLU A 488 -9.410 -17.812 1.504 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -10.011 -17.081 0.703 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -9.912 -18.286 2.593 1.00 0.00 O ATOM 0 H GLU A 488 -4.527 -15.773 1.200 1.00 0.00 H new ATOM 0 HA GLU A 488 -5.674 -18.075 2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -7.398 -16.358 2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -6.991 -16.445 0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -7.874 -18.615 0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -7.666 -19.011 1.916 1.00 0.00 H new ATOM 1096 N VAL A 489 -3.771 -18.062 0.307 1.00 0.00 N ATOM 1097 CA VAL A 489 -3.083 -18.815 -0.730 1.00 0.00 C ATOM 1098 C VAL A 489 -2.359 -20.004 -0.096 1.00 0.00 C ATOM 1099 O VAL A 489 -1.374 -19.826 0.620 1.00 0.00 O ATOM 1100 CB VAL A 489 -2.146 -17.892 -1.510 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -1.692 -18.548 -2.816 1.00 0.00 C ATOM 1102 CG2 VAL A 489 -2.806 -16.538 -1.779 1.00 0.00 C ATOM 0 H VAL A 489 -3.222 -17.311 0.725 1.00 0.00 H new ATOM 0 HA VAL A 489 -3.797 -19.216 -1.449 1.00 0.00 H new ATOM 0 HB VAL A 489 -1.262 -17.718 -0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -1.027 -17.871 -3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -1.163 -19.475 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -2.562 -18.766 -3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 489 -2.117 -15.902 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 489 -3.715 -16.686 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 489 -3.056 -16.061 -0.832 1.00 0.00 H new ATOM 1112 N ASN A 490 -2.876 -21.190 -0.379 1.00 0.00 N ATOM 1113 CA ASN A 490 -2.291 -22.409 0.154 1.00 0.00 C ATOM 1114 C ASN A 490 -0.880 -22.580 -0.409 1.00 0.00 C ATOM 1115 O ASN A 490 -0.669 -22.460 -1.616 1.00 0.00 O ATOM 1116 CB ASN A 490 -3.112 -23.636 -0.247 1.00 0.00 C ATOM 1117 CG ASN A 490 -3.687 -23.473 -1.657 1.00 0.00 C ATOM 1118 OD1 ASN A 490 -4.834 -22.802 -1.699 1.00 0.00 O flip ATOM 1119 ND2 ASN A 490 -3.126 -23.929 -2.640 1.00 0.00 N flip ATOM 0 H ASN A 490 -3.694 -21.333 -0.971 1.00 0.00 H new ATOM 0 HA ASN A 490 -2.273 -22.327 1.241 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -2.485 -24.527 -0.206 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -3.923 -23.784 0.466 1.00 0.00 H new ATOM 0 HD21 ASN A 490 -2.246 -24.435 -2.536 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -3.537 -23.805 -3.565 1.00 0.00 H new ATOM 1126 N THR A 491 0.052 -22.857 0.492 1.00 0.00 N ATOM 1127 CA THR A 491 1.438 -23.047 0.099 1.00 0.00 C ATOM 1128 C THR A 491 1.520 -23.843 -1.203 1.00 0.00 C ATOM 1129 O THR A 491 0.574 -24.541 -1.570 1.00 0.00 O ATOM 1130 CB THR A 491 2.173 -23.712 1.266 1.00 0.00 C ATOM 1131 OG1 THR A 491 3.524 -23.797 0.822 1.00 0.00 O ATOM 1132 CG2 THR A 491 1.753 -25.170 1.468 1.00 0.00 C ATOM 0 H THR A 491 -0.126 -22.954 1.492 1.00 0.00 H new ATOM 0 HA THR A 491 1.924 -22.094 -0.110 1.00 0.00 H new ATOM 0 HB THR A 491 1.985 -23.151 2.181 1.00 0.00 H new ATOM 0 HG1 THR A 491 4.072 -24.215 1.519 1.00 0.00 H new ATOM 0 HG21 THR A 491 2.304 -25.594 2.307 1.00 0.00 H new ATOM 0 HG22 THR A 491 0.684 -25.215 1.675 1.00 0.00 H new ATOM 0 HG23 THR A 491 1.972 -25.740 0.565 1.00 0.00 H new ATOM 1140 N ASP A 492 2.661 -23.717 -1.868 1.00 0.00 N ATOM 1141 CA ASP A 492 2.879 -24.416 -3.121 1.00 0.00 C ATOM 1142 C ASP A 492 3.216 -25.881 -2.832 1.00 0.00 C ATOM 1143 O ASP A 492 3.764 -26.198 -1.778 1.00 0.00 O ATOM 1144 CB ASP A 492 4.047 -23.806 -3.897 1.00 0.00 C ATOM 1145 CG ASP A 492 3.817 -23.655 -5.402 1.00 0.00 C ATOM 1146 OD1 ASP A 492 3.269 -22.645 -5.867 1.00 0.00 O ATOM 1147 OD2 ASP A 492 4.232 -24.646 -6.119 1.00 0.00 O ATOM 0 H ASP A 492 3.444 -23.140 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 492 1.969 -24.333 -3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 492 4.268 -22.824 -3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 492 4.930 -24.425 -3.740 1.00 0.00 H new ATOM 1153 N GLU A 493 2.874 -26.733 -3.786 1.00 0.00 N ATOM 1154 CA GLU A 493 3.134 -28.156 -3.647 1.00 0.00 C ATOM 1155 C GLU A 493 3.581 -28.747 -4.986 1.00 0.00 C ATOM 1156 O GLU A 493 3.617 -29.966 -5.149 1.00 0.00 O ATOM 1157 CB GLU A 493 1.903 -28.887 -3.108 1.00 0.00 C ATOM 1158 CG GLU A 493 1.777 -28.705 -1.594 1.00 0.00 C ATOM 1159 CD GLU A 493 0.462 -28.013 -1.233 1.00 0.00 C ATOM 1160 OE1 GLU A 493 -0.616 -28.487 -1.623 1.00 0.00 O ATOM 1161 OE2 GLU A 493 0.584 -26.945 -0.519 1.00 0.00 O ATOM 0 H GLU A 493 2.419 -26.466 -4.659 1.00 0.00 H new ATOM 0 HA GLU A 493 3.940 -28.290 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 493 1.007 -28.508 -3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 493 1.973 -29.948 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 493 1.828 -29.676 -1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 493 2.616 -28.116 -1.224 1.00 0.00 H new ATOM 1169 N CYS A 494 3.909 -27.856 -5.910 1.00 0.00 N ATOM 1170 CA CYS A 494 4.352 -28.275 -7.229 1.00 0.00 C ATOM 1171 C CYS A 494 5.854 -28.558 -7.165 1.00 0.00 C ATOM 1172 O CYS A 494 6.378 -29.335 -7.961 1.00 0.00 O ATOM 1173 CB CYS A 494 4.012 -27.234 -8.297 1.00 0.00 C ATOM 1174 SG CYS A 494 4.476 -27.705 -10.003 1.00 0.00 S ATOM 0 H CYS A 494 3.877 -26.846 -5.772 1.00 0.00 H new ATOM 0 HA CYS A 494 3.825 -29.184 -7.520 1.00 0.00 H new ATOM 0 HB2 CYS A 494 2.940 -27.041 -8.267 1.00 0.00 H new ATOM 0 HB3 CYS A 494 4.512 -26.299 -8.045 1.00 0.00 H new ATOM 1179 N ALA A 495 6.504 -27.909 -6.209 1.00 0.00 N ATOM 1180 CA ALA A 495 7.936 -28.081 -6.031 1.00 0.00 C ATOM 1181 C ALA A 495 8.207 -29.447 -5.401 1.00 0.00 C ATOM 1182 O ALA A 495 9.342 -29.924 -5.406 1.00 0.00 O ATOM 1183 CB ALA A 495 8.487 -26.929 -5.186 1.00 0.00 C ATOM 0 H ALA A 495 6.066 -27.264 -5.551 1.00 0.00 H new ATOM 0 HA ALA A 495 8.448 -28.055 -6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 495 9.561 -27.057 -5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 495 8.295 -25.983 -5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 495 7.998 -26.926 -4.212 1.00 0.00 H new ATOM 1189 N SER A 496 7.148 -30.041 -4.873 1.00 0.00 N ATOM 1190 CA SER A 496 7.257 -31.345 -4.240 1.00 0.00 C ATOM 1191 C SER A 496 6.967 -32.448 -5.260 1.00 0.00 C ATOM 1192 O SER A 496 7.795 -33.332 -5.475 1.00 0.00 O ATOM 1193 CB SER A 496 6.304 -31.460 -3.048 1.00 0.00 C ATOM 1194 OG SER A 496 6.997 -31.741 -1.836 1.00 0.00 O ATOM 0 H SER A 496 6.209 -29.643 -4.870 1.00 0.00 H new ATOM 0 HA SER A 496 8.275 -31.461 -3.869 1.00 0.00 H new ATOM 0 HB2 SER A 496 5.746 -30.530 -2.939 1.00 0.00 H new ATOM 0 HB3 SER A 496 5.576 -32.248 -3.241 1.00 0.00 H new ATOM 0 HG SER A 496 6.354 -31.805 -1.099 1.00 0.00 H new ATOM 1200 N SER A 497 5.790 -32.360 -5.861 1.00 0.00 N ATOM 1201 CA SER A 497 5.382 -33.339 -6.853 1.00 0.00 C ATOM 1202 C SER A 497 5.130 -32.650 -8.197 1.00 0.00 C ATOM 1203 O SER A 497 3.991 -32.320 -8.524 1.00 0.00 O ATOM 1204 CB SER A 497 4.130 -34.093 -6.401 1.00 0.00 C ATOM 1205 OG SER A 497 3.361 -33.339 -5.467 1.00 0.00 O ATOM 0 H SER A 497 5.106 -31.626 -5.680 1.00 0.00 H new ATOM 0 HA SER A 497 6.188 -34.064 -6.969 1.00 0.00 H new ATOM 0 HB2 SER A 497 3.516 -34.329 -7.270 1.00 0.00 H new ATOM 0 HB3 SER A 497 4.421 -35.041 -5.949 1.00 0.00 H new ATOM 0 HG SER A 497 2.587 -33.866 -5.180 1.00 0.00 H new ATOM 1211 N PRO A 498 6.239 -32.448 -8.956 1.00 0.00 N ATOM 1212 CA PRO A 498 6.149 -31.804 -10.256 1.00 0.00 C ATOM 1213 C PRO A 498 5.564 -32.758 -11.301 1.00 0.00 C ATOM 1214 O PRO A 498 6.236 -33.114 -12.267 1.00 0.00 O ATOM 1215 CB PRO A 498 7.569 -31.369 -10.579 1.00 0.00 C ATOM 1216 CG PRO A 498 8.473 -32.190 -9.673 1.00 0.00 C ATOM 1217 CD PRO A 498 7.603 -32.827 -8.600 1.00 0.00 C ATOM 0 HA PRO A 498 5.475 -30.948 -10.255 1.00 0.00 H new ATOM 0 HB2 PRO A 498 7.803 -31.547 -11.629 1.00 0.00 H new ATOM 0 HB3 PRO A 498 7.701 -30.302 -10.399 1.00 0.00 H new ATOM 0 HG2 PRO A 498 8.994 -32.956 -10.247 1.00 0.00 H new ATOM 0 HG3 PRO A 498 9.236 -31.557 -9.220 1.00 0.00 H new ATOM 0 HD2 PRO A 498 7.722 -33.910 -8.585 1.00 0.00 H new ATOM 0 HD3 PRO A 498 7.869 -32.464 -7.607 1.00 0.00 H new ATOM 1225 N CYS A 499 4.318 -33.144 -11.070 1.00 0.00 N ATOM 1226 CA CYS A 499 3.636 -34.049 -11.979 1.00 0.00 C ATOM 1227 C CYS A 499 3.483 -33.347 -13.330 1.00 0.00 C ATOM 1228 O CYS A 499 2.530 -32.600 -13.542 1.00 0.00 O ATOM 1229 CB CYS A 499 2.287 -34.504 -11.418 1.00 0.00 C ATOM 1230 SG CYS A 499 2.287 -36.181 -10.686 1.00 0.00 S ATOM 0 H CYS A 499 3.763 -32.847 -10.267 1.00 0.00 H new ATOM 0 HA CYS A 499 4.228 -34.956 -12.105 1.00 0.00 H new ATOM 0 HB2 CYS A 499 1.966 -33.791 -10.658 1.00 0.00 H new ATOM 0 HB3 CYS A 499 1.547 -34.472 -12.218 1.00 0.00 H new ATOM 1235 N LEU A 500 4.437 -33.615 -14.211 1.00 0.00 N ATOM 1236 CA LEU A 500 4.421 -33.019 -15.536 1.00 0.00 C ATOM 1237 C LEU A 500 4.530 -34.123 -16.588 1.00 0.00 C ATOM 1238 O LEU A 500 5.073 -35.194 -16.316 1.00 0.00 O ATOM 1239 CB LEU A 500 5.507 -31.947 -15.654 1.00 0.00 C ATOM 1240 CG LEU A 500 6.919 -32.375 -15.250 1.00 0.00 C ATOM 1241 CD1 LEU A 500 7.243 -33.771 -15.784 1.00 0.00 C ATOM 1242 CD2 LEU A 500 7.953 -31.338 -15.691 1.00 0.00 C ATOM 0 H LEU A 500 5.226 -34.237 -14.033 1.00 0.00 H new ATOM 0 HA LEU A 500 3.476 -32.504 -15.711 1.00 0.00 H new ATOM 0 HB2 LEU A 500 5.536 -31.599 -16.687 1.00 0.00 H new ATOM 0 HB3 LEU A 500 5.217 -31.095 -15.039 1.00 0.00 H new ATOM 0 HG LEU A 500 6.961 -32.429 -14.162 1.00 0.00 H new ATOM 0 HD11 LEU A 500 8.252 -34.051 -15.482 1.00 0.00 H new ATOM 0 HD12 LEU A 500 6.531 -34.490 -15.379 1.00 0.00 H new ATOM 0 HD13 LEU A 500 7.177 -33.769 -16.872 1.00 0.00 H new ATOM 0 HD21 LEU A 500 8.948 -31.666 -15.392 1.00 0.00 H new ATOM 0 HD22 LEU A 500 7.918 -31.228 -16.775 1.00 0.00 H new ATOM 0 HD23 LEU A 500 7.731 -30.380 -15.221 1.00 0.00 H new ATOM 1254 N HIS A 501 4.008 -33.825 -17.769 1.00 0.00 N ATOM 1255 CA HIS A 501 4.040 -34.781 -18.863 1.00 0.00 C ATOM 1256 C HIS A 501 3.100 -35.948 -18.554 1.00 0.00 C ATOM 1257 O HIS A 501 2.196 -36.245 -19.333 1.00 0.00 O ATOM 1258 CB HIS A 501 5.473 -35.232 -19.148 1.00 0.00 C ATOM 1259 CG HIS A 501 6.192 -34.387 -20.174 1.00 0.00 C ATOM 1260 ND1 HIS A 501 6.856 -34.929 -21.259 1.00 0.00 N ATOM 1261 CD2 HIS A 501 6.339 -33.034 -20.267 1.00 0.00 C ATOM 1262 CE1 HIS A 501 7.379 -33.938 -21.966 1.00 0.00 C ATOM 1263 NE2 HIS A 501 7.058 -32.765 -21.349 1.00 0.00 N ATOM 0 H HIS A 501 3.561 -32.936 -17.992 1.00 0.00 H new ATOM 0 HA HIS A 501 3.682 -34.306 -19.776 1.00 0.00 H new ATOM 0 HB2 HIS A 501 6.040 -35.215 -18.217 1.00 0.00 H new ATOM 0 HB3 HIS A 501 5.456 -36.266 -19.492 1.00 0.00 H new ATOM 0 HD2 HIS A 501 5.938 -32.306 -19.577 1.00 0.00 H new ATOM 0 HE1 HIS A 501 7.958 -34.041 -22.872 1.00 0.00 H new ATOM 0 HE2 HIS A 501 7.327 -31.834 -21.667 1.00 0.00 H new ATOM 1271 N ASN A 502 3.347 -36.579 -17.415 1.00 0.00 N ATOM 1272 CA ASN A 502 2.534 -37.706 -16.993 1.00 0.00 C ATOM 1273 C ASN A 502 1.282 -37.191 -16.281 1.00 0.00 C ATOM 1274 O ASN A 502 0.285 -37.902 -16.179 1.00 0.00 O ATOM 1275 CB ASN A 502 3.300 -38.600 -16.014 1.00 0.00 C ATOM 1276 CG ASN A 502 4.374 -39.414 -16.739 1.00 0.00 C ATOM 1277 OD1 ASN A 502 5.550 -39.094 -16.716 1.00 0.00 O ATOM 1278 ND2 ASN A 502 3.904 -40.480 -17.379 1.00 0.00 N ATOM 0 H ASN A 502 4.099 -36.331 -16.772 1.00 0.00 H new ATOM 0 HA ASN A 502 2.271 -38.282 -17.880 1.00 0.00 H new ATOM 0 HB2 ASN A 502 3.764 -37.986 -15.242 1.00 0.00 H new ATOM 0 HB3 ASN A 502 2.606 -39.273 -15.512 1.00 0.00 H new ATOM 0 HD21 ASN A 502 4.541 -41.089 -17.892 1.00 0.00 H new ATOM 0 HD22 ASN A 502 2.906 -40.689 -17.357 1.00 0.00 H new ATOM 1285 N GLY A 503 1.374 -35.955 -15.810 1.00 0.00 N ATOM 1286 CA GLY A 503 0.261 -35.335 -15.112 1.00 0.00 C ATOM 1287 C GLY A 503 0.496 -33.835 -14.930 1.00 0.00 C ATOM 1288 O GLY A 503 1.401 -33.265 -15.538 1.00 0.00 O ATOM 0 H GLY A 503 2.203 -35.367 -15.898 1.00 0.00 H new ATOM 0 HA2 GLY A 503 -0.660 -35.497 -15.672 1.00 0.00 H new ATOM 0 HA3 GLY A 503 0.129 -35.807 -14.138 1.00 0.00 H new ATOM 1292 N ARG A 504 -0.336 -33.235 -14.091 1.00 0.00 N ATOM 1293 CA ARG A 504 -0.232 -31.811 -13.821 1.00 0.00 C ATOM 1294 C ARG A 504 -0.201 -31.558 -12.313 1.00 0.00 C ATOM 1295 O ARG A 504 -0.929 -32.200 -11.557 1.00 0.00 O ATOM 1296 CB ARG A 504 -1.405 -31.046 -14.435 1.00 0.00 C ATOM 1297 CG ARG A 504 -0.912 -29.842 -15.241 1.00 0.00 C ATOM 1298 CD ARG A 504 -1.888 -28.670 -15.124 1.00 0.00 C ATOM 1299 NE ARG A 504 -1.341 -27.484 -15.821 1.00 0.00 N ATOM 1300 CZ ARG A 504 -2.029 -26.339 -16.023 1.00 0.00 C ATOM 1301 NH1 ARG A 504 -3.299 -26.216 -15.581 1.00 0.00 N ATOM 1302 NH2 ARG A 504 -1.441 -25.344 -16.658 1.00 0.00 N ATOM 0 H ARG A 504 -1.086 -33.710 -13.589 1.00 0.00 H new ATOM 0 HA ARG A 504 0.694 -31.455 -14.272 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -1.979 -31.710 -15.081 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -2.077 -30.709 -13.646 1.00 0.00 H new ATOM 0 HG2 ARG A 504 0.072 -29.538 -14.883 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -0.798 -30.122 -16.288 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -2.851 -28.944 -15.555 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -2.064 -28.436 -14.074 1.00 0.00 H new ATOM 0 HE ARG A 504 -0.384 -27.535 -16.171 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -3.746 -26.991 -15.091 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -3.812 -25.348 -15.737 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -0.481 -25.446 -16.988 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -1.946 -24.472 -16.819 1.00 0.00 H new ATOM 1315 N CYS A 505 0.650 -30.621 -11.920 1.00 0.00 N ATOM 1316 CA CYS A 505 0.785 -30.275 -10.514 1.00 0.00 C ATOM 1317 C CYS A 505 -0.283 -29.237 -10.171 1.00 0.00 C ATOM 1318 O CYS A 505 -0.202 -28.088 -10.606 1.00 0.00 O ATOM 1319 CB CYS A 505 2.194 -29.773 -10.189 1.00 0.00 C ATOM 1320 SG CYS A 505 2.591 -28.116 -10.853 1.00 0.00 S ATOM 0 H CYS A 505 1.252 -30.091 -12.550 1.00 0.00 H new ATOM 0 HA CYS A 505 0.636 -31.164 -9.901 1.00 0.00 H new ATOM 0 HB2 CYS A 505 2.317 -29.754 -9.106 1.00 0.00 H new ATOM 0 HB3 CYS A 505 2.918 -30.488 -10.579 1.00 0.00 H new ATOM 1325 N LEU A 506 -1.263 -29.675 -9.393 1.00 0.00 N ATOM 1326 CA LEU A 506 -2.346 -28.799 -8.986 1.00 0.00 C ATOM 1327 C LEU A 506 -2.125 -28.362 -7.536 1.00 0.00 C ATOM 1328 O LEU A 506 -1.855 -29.190 -6.668 1.00 0.00 O ATOM 1329 CB LEU A 506 -3.700 -29.472 -9.226 1.00 0.00 C ATOM 1330 CG LEU A 506 -4.858 -28.539 -9.588 1.00 0.00 C ATOM 1331 CD1 LEU A 506 -4.699 -27.995 -11.008 1.00 0.00 C ATOM 1332 CD2 LEU A 506 -6.205 -29.237 -9.389 1.00 0.00 C ATOM 0 H LEU A 506 -1.328 -30.627 -9.034 1.00 0.00 H new ATOM 0 HA LEU A 506 -2.353 -27.895 -9.595 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -3.584 -30.202 -10.027 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -3.973 -30.025 -8.327 1.00 0.00 H new ATOM 0 HG LEU A 506 -4.834 -27.685 -8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -5.535 -27.335 -11.240 1.00 0.00 H new ATOM 0 HD12 LEU A 506 -3.765 -27.438 -11.082 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -4.684 -28.824 -11.716 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -7.012 -28.553 -9.653 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -6.255 -30.120 -10.026 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -6.309 -29.536 -8.346 1.00 0.00 H new ATOM 1344 N ASP A 507 -2.249 -27.060 -7.320 1.00 0.00 N ATOM 1345 CA ASP A 507 -2.067 -26.503 -5.990 1.00 0.00 C ATOM 1346 C ASP A 507 -3.435 -26.207 -5.374 1.00 0.00 C ATOM 1347 O ASP A 507 -3.954 -25.101 -5.505 1.00 0.00 O ATOM 1348 CB ASP A 507 -1.281 -25.191 -6.047 1.00 0.00 C ATOM 1349 CG ASP A 507 0.090 -25.228 -5.368 1.00 0.00 C ATOM 1350 OD1 ASP A 507 0.946 -24.364 -5.609 1.00 0.00 O ATOM 1351 OD2 ASP A 507 0.267 -26.210 -4.550 1.00 0.00 O ATOM 0 H ASP A 507 -2.473 -26.376 -8.043 1.00 0.00 H new ATOM 0 HA ASP A 507 -1.516 -27.229 -5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 507 -1.145 -24.912 -7.092 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -1.879 -24.407 -5.583 1.00 0.00 H new ATOM 1357 N LYS A 508 -3.980 -27.218 -4.711 1.00 0.00 N ATOM 1358 CA LYS A 508 -5.278 -27.082 -4.074 1.00 0.00 C ATOM 1359 C LYS A 508 -5.093 -26.498 -2.672 1.00 0.00 C ATOM 1360 O LYS A 508 -3.966 -26.320 -2.213 1.00 0.00 O ATOM 1361 CB LYS A 508 -6.028 -28.415 -4.091 1.00 0.00 C ATOM 1362 CG LYS A 508 -6.768 -28.611 -5.416 1.00 0.00 C ATOM 1363 CD LYS A 508 -7.935 -29.587 -5.252 1.00 0.00 C ATOM 1364 CE LYS A 508 -7.432 -31.027 -5.131 1.00 0.00 C ATOM 1365 NZ LYS A 508 -8.553 -31.982 -5.275 1.00 0.00 N ATOM 0 H LYS A 508 -3.545 -28.134 -4.602 1.00 0.00 H new ATOM 0 HA LYS A 508 -5.904 -26.385 -4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -5.325 -29.234 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -6.739 -28.447 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -7.139 -27.651 -5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -6.077 -28.988 -6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -8.512 -29.324 -4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 508 -8.607 -29.503 -6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -6.681 -31.221 -5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -6.947 -31.169 -4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -8.194 -32.954 -5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -9.256 -31.807 -4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -8.998 -31.857 -6.207 1.00 0.00 H new ATOM 1378 N ILE A 509 -6.218 -26.219 -2.029 1.00 0.00 N ATOM 1379 CA ILE A 509 -6.195 -25.659 -0.688 1.00 0.00 C ATOM 1380 C ILE A 509 -6.247 -26.796 0.334 1.00 0.00 C ATOM 1381 O ILE A 509 -7.272 -27.008 0.981 1.00 0.00 O ATOM 1382 CB ILE A 509 -7.310 -24.627 -0.518 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -7.440 -23.749 -1.763 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -7.100 -23.797 0.750 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -8.830 -23.887 -2.390 1.00 0.00 C ATOM 0 H ILE A 509 -7.151 -26.370 -2.412 1.00 0.00 H new ATOM 0 HA ILE A 509 -5.265 -25.117 -0.517 1.00 0.00 H new ATOM 0 HB ILE A 509 -8.254 -25.160 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -7.259 -22.707 -1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -6.679 -24.030 -2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -7.907 -23.071 0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -7.097 -24.455 1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -6.146 -23.273 0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -8.895 -23.252 -3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -8.999 -24.925 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -9.587 -23.582 -1.667 1.00 0.00 H new ATOM 1397 N ASN A 510 -5.128 -27.497 0.451 1.00 0.00 N ATOM 1398 CA ASN A 510 -5.034 -28.608 1.384 1.00 0.00 C ATOM 1399 C ASN A 510 -3.886 -29.527 0.962 1.00 0.00 C ATOM 1400 O ASN A 510 -3.097 -29.965 1.799 1.00 0.00 O ATOM 1401 CB ASN A 510 -6.322 -29.432 1.391 1.00 0.00 C ATOM 1402 CG ASN A 510 -7.100 -29.224 2.691 1.00 0.00 C ATOM 1403 OD1 ASN A 510 -7.146 -28.141 3.251 1.00 0.00 O ATOM 1404 ND2 ASN A 510 -7.708 -30.319 3.140 1.00 0.00 N ATOM 0 H ASN A 510 -4.279 -27.317 -0.085 1.00 0.00 H new ATOM 0 HA ASN A 510 -4.863 -28.199 2.380 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -6.944 -29.148 0.542 1.00 0.00 H new ATOM 0 HB3 ASN A 510 -6.082 -30.489 1.272 1.00 0.00 H new ATOM 0 HD21 ASN A 510 -8.253 -30.283 4.001 1.00 0.00 H new ATOM 0 HD22 ASN A 510 -7.629 -31.195 2.623 1.00 0.00 H new ATOM 1411 N GLU A 511 -3.829 -29.791 -0.334 1.00 0.00 N ATOM 1412 CA GLU A 511 -2.789 -30.651 -0.877 1.00 0.00 C ATOM 1413 C GLU A 511 -2.689 -30.468 -2.392 1.00 0.00 C ATOM 1414 O GLU A 511 -3.397 -29.646 -2.972 1.00 0.00 O ATOM 1415 CB GLU A 511 -3.046 -32.115 -0.517 1.00 0.00 C ATOM 1416 CG GLU A 511 -1.853 -32.712 0.234 1.00 0.00 C ATOM 1417 CD GLU A 511 -2.138 -34.155 0.655 1.00 0.00 C ATOM 1418 OE1 GLU A 511 -1.393 -35.071 0.272 1.00 0.00 O ATOM 1419 OE2 GLU A 511 -3.172 -34.310 1.408 1.00 0.00 O ATOM 0 H GLU A 511 -4.485 -29.426 -1.025 1.00 0.00 H new ATOM 0 HA GLU A 511 -1.836 -30.364 -0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 511 -3.942 -32.190 0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 511 -3.233 -32.689 -1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 511 -0.967 -32.683 -0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 511 -1.634 -32.109 1.115 1.00 0.00 H new ATOM 1427 N PHE A 512 -1.801 -31.249 -2.992 1.00 0.00 N ATOM 1428 CA PHE A 512 -1.598 -31.184 -4.430 1.00 0.00 C ATOM 1429 C PHE A 512 -2.187 -32.414 -5.123 1.00 0.00 C ATOM 1430 O PHE A 512 -2.162 -33.513 -4.573 1.00 0.00 O ATOM 1431 CB PHE A 512 -0.087 -31.155 -4.668 1.00 0.00 C ATOM 1432 CG PHE A 512 0.686 -32.219 -3.885 1.00 0.00 C ATOM 1433 CD1 PHE A 512 1.050 -31.984 -2.595 1.00 0.00 C ATOM 1434 CD2 PHE A 512 1.010 -33.399 -4.479 1.00 0.00 C ATOM 1435 CE1 PHE A 512 1.767 -32.972 -1.870 1.00 0.00 C ATOM 1436 CE2 PHE A 512 1.728 -34.386 -3.754 1.00 0.00 C ATOM 1437 CZ PHE A 512 2.090 -34.152 -2.464 1.00 0.00 C ATOM 0 H PHE A 512 -1.215 -31.929 -2.509 1.00 0.00 H new ATOM 0 HA PHE A 512 -2.091 -30.300 -4.835 1.00 0.00 H new ATOM 0 HB2 PHE A 512 0.106 -31.290 -5.732 1.00 0.00 H new ATOM 0 HB3 PHE A 512 0.294 -30.170 -4.397 1.00 0.00 H new ATOM 0 HD1 PHE A 512 0.794 -31.047 -2.123 1.00 0.00 H new ATOM 0 HD2 PHE A 512 0.721 -33.585 -5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 512 2.056 -32.786 -0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 512 1.987 -35.322 -4.226 1.00 0.00 H new ATOM 0 HZ PHE A 512 2.634 -34.903 -1.911 1.00 0.00 H new ATOM 1447 N GLN A 513 -2.706 -32.186 -6.321 1.00 0.00 N ATOM 1448 CA GLN A 513 -3.302 -33.262 -7.095 1.00 0.00 C ATOM 1449 C GLN A 513 -2.623 -33.369 -8.463 1.00 0.00 C ATOM 1450 O GLN A 513 -2.411 -32.362 -9.135 1.00 0.00 O ATOM 1451 CB GLN A 513 -4.810 -33.060 -7.246 1.00 0.00 C ATOM 1452 CG GLN A 513 -5.543 -34.402 -7.276 1.00 0.00 C ATOM 1453 CD GLN A 513 -6.741 -34.350 -8.226 1.00 0.00 C ATOM 1454 OE1 GLN A 513 -6.605 -34.307 -9.438 1.00 0.00 O ATOM 1455 NE2 GLN A 513 -7.920 -34.358 -7.611 1.00 0.00 N ATOM 0 H GLN A 513 -2.726 -31.272 -6.774 1.00 0.00 H new ATOM 0 HA GLN A 513 -3.147 -34.198 -6.559 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -5.184 -32.456 -6.419 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -5.016 -32.508 -8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -4.857 -35.188 -7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -5.881 -34.659 -6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -7.964 -34.395 -6.593 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -8.781 -34.327 -8.158 1.00 0.00 H new ATOM 1464 N CYS A 514 -2.303 -34.600 -8.834 1.00 0.00 N ATOM 1465 CA CYS A 514 -1.653 -34.853 -10.109 1.00 0.00 C ATOM 1466 C CYS A 514 -2.736 -34.986 -11.180 1.00 0.00 C ATOM 1467 O CYS A 514 -3.275 -36.073 -11.392 1.00 0.00 O ATOM 1468 CB CYS A 514 -0.752 -36.087 -10.050 1.00 0.00 C ATOM 1469 SG CYS A 514 0.833 -35.841 -9.170 1.00 0.00 S ATOM 0 H CYS A 514 -2.482 -35.433 -8.274 1.00 0.00 H new ATOM 0 HA CYS A 514 -0.997 -34.019 -10.359 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -1.299 -36.895 -9.565 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -0.539 -36.413 -11.068 1.00 0.00 H new ATOM 1474 N GLU A 515 -3.023 -33.868 -11.830 1.00 0.00 N ATOM 1475 CA GLU A 515 -4.032 -33.846 -12.876 1.00 0.00 C ATOM 1476 C GLU A 515 -3.530 -34.593 -14.114 1.00 0.00 C ATOM 1477 O GLU A 515 -2.590 -35.382 -14.029 1.00 0.00 O ATOM 1478 CB GLU A 515 -4.429 -32.411 -13.225 1.00 0.00 C ATOM 1479 CG GLU A 515 -4.719 -31.600 -11.961 1.00 0.00 C ATOM 1480 CD GLU A 515 -6.151 -31.059 -11.972 1.00 0.00 C ATOM 1481 OE1 GLU A 515 -6.412 -30.010 -12.581 1.00 0.00 O ATOM 1482 OE2 GLU A 515 -7.007 -31.769 -11.319 1.00 0.00 O ATOM 0 H GLU A 515 -2.574 -32.970 -11.652 1.00 0.00 H new ATOM 0 HA GLU A 515 -4.922 -34.354 -12.505 1.00 0.00 H new ATOM 0 HB2 GLU A 515 -3.628 -31.936 -13.791 1.00 0.00 H new ATOM 0 HB3 GLU A 515 -5.310 -32.419 -13.866 1.00 0.00 H new ATOM 0 HG2 GLU A 515 -4.570 -32.226 -11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 515 -4.014 -30.772 -11.886 1.00 0.00 H new ATOM 1490 N CYS A 516 -4.179 -34.317 -15.235 1.00 0.00 N ATOM 1491 CA CYS A 516 -3.810 -34.953 -16.489 1.00 0.00 C ATOM 1492 C CYS A 516 -2.922 -33.986 -17.275 1.00 0.00 C ATOM 1493 O CYS A 516 -3.099 -32.772 -17.195 1.00 0.00 O ATOM 1494 CB CYS A 516 -5.042 -35.377 -17.292 1.00 0.00 C ATOM 1495 SG CYS A 516 -6.239 -34.036 -17.626 1.00 0.00 S ATOM 0 H CYS A 516 -4.958 -33.662 -15.302 1.00 0.00 H new ATOM 0 HA CYS A 516 -3.256 -35.870 -16.286 1.00 0.00 H new ATOM 0 HB2 CYS A 516 -4.712 -35.795 -18.243 1.00 0.00 H new ATOM 0 HB3 CYS A 516 -5.553 -36.175 -16.753 1.00 0.00 H new ATOM 0 HG CYS A 516 -7.238 -34.507 -18.312 1.00 0.00 H new ATOM 1500 N PRO A 517 -1.961 -34.577 -18.035 1.00 0.00 N ATOM 1501 CA PRO A 517 -1.045 -33.782 -18.835 1.00 0.00 C ATOM 1502 C PRO A 517 -1.741 -33.230 -20.080 1.00 0.00 C ATOM 1503 O PRO A 517 -2.970 -33.193 -20.144 1.00 0.00 O ATOM 1504 CB PRO A 517 0.107 -34.718 -19.162 1.00 0.00 C ATOM 1505 CG PRO A 517 -0.424 -36.125 -18.933 1.00 0.00 C ATOM 1506 CD PRO A 517 -1.723 -36.012 -18.153 1.00 0.00 C ATOM 0 HA PRO A 517 -0.684 -32.899 -18.308 1.00 0.00 H new ATOM 0 HB2 PRO A 517 0.436 -34.587 -20.193 1.00 0.00 H new ATOM 0 HB3 PRO A 517 0.968 -34.516 -18.524 1.00 0.00 H new ATOM 0 HG2 PRO A 517 -0.593 -36.629 -19.885 1.00 0.00 H new ATOM 0 HG3 PRO A 517 0.302 -36.722 -18.381 1.00 0.00 H new ATOM 0 HD2 PRO A 517 -2.542 -36.508 -18.674 1.00 0.00 H new ATOM 0 HD3 PRO A 517 -1.638 -36.481 -17.173 1.00 0.00 H new