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 Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 ASN : amide:sc= -4.74 K(o=-4.7,f=-6.8!) USER MOD Single : A 425 HIS : no HE2:sc= -7.2! C(o=-7.2!,f=-8!) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -2.45! C(o=-2.5!,f=-10!) USER MOD Single : A 432 THR OG1 : rot -81:sc= -4.99! USER MOD Single : A 435 SER OG : rot 180:sc= -0.0706 USER MOD Single : A 439 GLN : amide:sc= -2.17 K(o=-2.2,f=-3.2!) USER MOD Single : A 442 GLN :FLIP amide:sc= -3.07! C(o=-5!,f=-3.1!) USER MOD Single : A 444 TYR OH : rot 151:sc= -3.67! USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.191! USER MOD Single : A 454 ASN : amide:sc= -2.95! C(o=-3!,f=-7!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN :FLIP amide:sc= -1.71 F(o=-2.5!,f=-1.7) USER MOD Single : A 462 GLN :FLIP amide:sc= -4.56! C(o=-6.5!,f=-4.6!) USER MOD Single : A 463 ASN :FLIP amide:sc= -6.59! C(o=-8.1!,f=-6.6!) USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 470 GLN : amide:sc= 0.111 X(o=0.11,f=0) USER MOD Single : A 475 GLN :FLIP amide:sc= -5.3! C(o=-8.8!,f=-5.3!) USER MOD Single : A 479 MET CE :methyl -143:sc= -0.07 (180deg=-0.564) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 486 HIS :FLIP no HD1:sc= -2.08! C(o=-3.7!,f=-2.1!) USER MOD Single : A 490 ASN : amide:sc= -5.35! C(o=-5.4!,f=-12!) USER MOD Single : A 491 THR OG1 : rot 180:sc= -0.0028 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 SER OG : rot 42:sc= 0.793 USER MOD Single : A 501 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 502 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 508 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 510 ASN : amide:sc= -0.734 K(o=-0.73,f=-2!) USER MOD Single : A 513 GLN : amide:sc= -0.0454 X(o=-0.045,f=-0.3) USER MOD Single : A 516 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 412 1.419 34.982 7.905 1.00 0.00 N ATOM 19 CA ASP A 412 0.140 34.523 8.418 1.00 0.00 C ATOM 20 C ASP A 412 0.379 33.594 9.612 1.00 0.00 C ATOM 21 O ASP A 412 1.522 33.334 9.981 1.00 0.00 O ATOM 22 CB ASP A 412 -0.630 33.738 7.355 1.00 0.00 C ATOM 23 CG ASP A 412 -2.130 33.595 7.618 1.00 0.00 C ATOM 24 OD1 ASP A 412 -2.878 34.584 7.615 1.00 0.00 O ATOM 25 OD2 ASP A 412 -2.533 32.388 7.837 1.00 0.00 O ATOM 0 HA ASP A 412 -0.440 35.398 8.710 1.00 0.00 H new ATOM 0 HB2 ASP A 412 -0.490 34.227 6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 412 -0.194 32.742 7.273 1.00 0.00 H new ATOM 31 N VAL A 413 -0.719 33.119 10.179 1.00 0.00 N ATOM 32 CA VAL A 413 -0.644 32.225 11.322 1.00 0.00 C ATOM 33 C VAL A 413 -0.451 30.789 10.829 1.00 0.00 C ATOM 34 O VAL A 413 -0.968 30.416 9.778 1.00 0.00 O ATOM 35 CB VAL A 413 -1.885 32.394 12.202 1.00 0.00 C ATOM 36 CG1 VAL A 413 -2.946 31.346 11.859 1.00 0.00 C ATOM 37 CG2 VAL A 413 -1.517 32.336 13.686 1.00 0.00 C ATOM 0 H VAL A 413 -1.666 33.336 9.869 1.00 0.00 H new ATOM 0 HA VAL A 413 0.215 32.473 11.945 1.00 0.00 H new ATOM 0 HB VAL A 413 -2.308 33.378 12.000 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -3.817 31.488 12.498 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -3.240 31.454 10.815 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -2.537 30.348 12.019 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -2.417 32.459 14.289 1.00 0.00 H new ATOM 0 HG22 VAL A 413 -1.059 31.373 13.910 1.00 0.00 H new ATOM 0 HG23 VAL A 413 -0.813 33.135 13.918 1.00 0.00 H new ATOM 47 N ASP A 414 0.292 30.023 11.613 1.00 0.00 N ATOM 48 CA ASP A 414 0.560 28.637 11.270 1.00 0.00 C ATOM 49 C ASP A 414 -0.500 27.742 11.914 1.00 0.00 C ATOM 50 O ASP A 414 -0.246 27.113 12.939 1.00 0.00 O ATOM 51 CB ASP A 414 1.930 28.195 11.788 1.00 0.00 C ATOM 52 CG ASP A 414 2.426 26.855 11.243 1.00 0.00 C ATOM 53 OD1 ASP A 414 3.582 26.463 11.464 1.00 0.00 O ATOM 54 OD2 ASP A 414 1.562 26.194 10.551 1.00 0.00 O ATOM 0 H ASP A 414 0.717 30.336 12.486 1.00 0.00 H new ATOM 0 HA ASP A 414 0.540 28.550 10.184 1.00 0.00 H new ATOM 0 HB2 ASP A 414 2.661 28.964 11.539 1.00 0.00 H new ATOM 0 HB3 ASP A 414 1.888 28.135 12.876 1.00 0.00 H new ATOM 60 N GLU A 415 -1.667 27.716 11.289 1.00 0.00 N ATOM 61 CA GLU A 415 -2.766 26.909 11.788 1.00 0.00 C ATOM 62 C GLU A 415 -2.317 25.459 11.982 1.00 0.00 C ATOM 63 O GLU A 415 -2.954 24.700 12.711 1.00 0.00 O ATOM 64 CB GLU A 415 -3.975 26.987 10.852 1.00 0.00 C ATOM 65 CG GLU A 415 -4.484 28.425 10.734 1.00 0.00 C ATOM 66 CD GLU A 415 -4.276 28.965 9.317 1.00 0.00 C ATOM 67 OE1 GLU A 415 -4.147 28.180 8.367 1.00 0.00 O ATOM 68 OE2 GLU A 415 -4.251 30.251 9.223 1.00 0.00 O ATOM 0 H GLU A 415 -1.876 28.242 10.440 1.00 0.00 H new ATOM 0 HA GLU A 415 -3.071 27.307 12.756 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -3.701 26.612 9.866 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -4.772 26.345 11.227 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -5.543 28.462 10.989 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -3.961 29.060 11.449 1.00 0.00 H new ATOM 76 N CYS A 416 -1.223 25.118 11.316 1.00 0.00 N ATOM 77 CA CYS A 416 -0.680 23.774 11.406 1.00 0.00 C ATOM 78 C CYS A 416 0.090 23.653 12.723 1.00 0.00 C ATOM 79 O CYS A 416 0.274 22.553 13.239 1.00 0.00 O ATOM 80 CB CYS A 416 0.197 23.437 10.198 1.00 0.00 C ATOM 81 SG CYS A 416 1.999 23.485 10.521 1.00 0.00 S ATOM 0 H CYS A 416 -0.698 25.750 10.712 1.00 0.00 H new ATOM 0 HA CYS A 416 -1.494 23.049 11.395 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -0.068 22.442 9.841 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -0.033 24.136 9.394 1.00 0.00 H new ATOM 86 N SER A 417 0.519 24.800 13.227 1.00 0.00 N ATOM 87 CA SER A 417 1.265 24.837 14.473 1.00 0.00 C ATOM 88 C SER A 417 0.332 25.199 15.631 1.00 0.00 C ATOM 89 O SER A 417 0.662 24.971 16.794 1.00 0.00 O ATOM 90 CB SER A 417 2.422 25.833 14.394 1.00 0.00 C ATOM 91 OG SER A 417 3.375 25.629 15.433 1.00 0.00 O ATOM 0 H SER A 417 0.364 25.711 12.795 1.00 0.00 H new ATOM 0 HA SER A 417 1.685 23.847 14.648 1.00 0.00 H new ATOM 0 HB2 SER A 417 2.915 25.739 13.426 1.00 0.00 H new ATOM 0 HB3 SER A 417 2.031 26.849 14.455 1.00 0.00 H new ATOM 0 HG SER A 417 4.099 26.284 15.346 1.00 0.00 H new ATOM 97 N LEU A 418 -0.815 25.756 15.273 1.00 0.00 N ATOM 98 CA LEU A 418 -1.798 26.152 16.266 1.00 0.00 C ATOM 99 C LEU A 418 -2.523 24.908 16.785 1.00 0.00 C ATOM 100 O LEU A 418 -2.153 24.357 17.820 1.00 0.00 O ATOM 101 CB LEU A 418 -2.737 27.218 15.697 1.00 0.00 C ATOM 102 CG LEU A 418 -2.116 28.593 15.445 1.00 0.00 C ATOM 103 CD1 LEU A 418 -2.687 29.228 14.176 1.00 0.00 C ATOM 104 CD2 LEU A 418 -2.284 29.502 16.665 1.00 0.00 C ATOM 0 H LEU A 418 -1.086 25.943 14.307 1.00 0.00 H new ATOM 0 HA LEU A 418 -1.308 26.616 17.122 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -3.147 26.849 14.757 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -3.575 27.340 16.384 1.00 0.00 H new ATOM 0 HG LEU A 418 -1.046 28.460 15.286 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -2.229 30.205 14.020 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -2.474 28.587 13.321 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -3.765 29.346 14.282 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -1.834 30.473 16.460 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -3.345 29.632 16.879 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -1.793 29.049 17.526 1.00 0.00 H new ATOM 116 N GLY A 419 -3.540 24.501 16.040 1.00 0.00 N ATOM 117 CA GLY A 419 -4.319 23.333 16.412 1.00 0.00 C ATOM 118 C GLY A 419 -5.077 22.773 15.205 1.00 0.00 C ATOM 119 O GLY A 419 -6.100 22.108 15.365 1.00 0.00 O ATOM 0 H GLY A 419 -3.842 24.959 15.180 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -3.660 22.567 16.820 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -5.025 23.598 17.199 1.00 0.00 H new ATOM 123 N ALA A 420 -4.546 23.061 14.028 1.00 0.00 N ATOM 124 CA ALA A 420 -5.158 22.596 12.795 1.00 0.00 C ATOM 125 C ALA A 420 -4.122 21.821 11.977 1.00 0.00 C ATOM 126 O ALA A 420 -3.573 22.345 11.009 1.00 0.00 O ATOM 127 CB ALA A 420 -5.734 23.787 12.028 1.00 0.00 C ATOM 0 H ALA A 420 -3.697 23.612 13.901 1.00 0.00 H new ATOM 0 HA ALA A 420 -5.984 21.918 13.009 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -6.193 23.437 11.103 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -6.486 24.285 12.640 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -4.934 24.489 11.793 1.00 0.00 H new ATOM 133 N ASN A 421 -3.888 20.586 12.396 1.00 0.00 N ATOM 134 CA ASN A 421 -2.928 19.734 11.715 1.00 0.00 C ATOM 135 C ASN A 421 -3.631 18.463 11.235 1.00 0.00 C ATOM 136 O ASN A 421 -3.969 17.596 12.040 1.00 0.00 O ATOM 137 CB ASN A 421 -1.793 19.321 12.654 1.00 0.00 C ATOM 138 CG ASN A 421 -0.629 18.709 11.871 1.00 0.00 C ATOM 139 OD1 ASN A 421 0.122 19.390 11.192 1.00 0.00 O ATOM 140 ND2 ASN A 421 -0.522 17.391 12.006 1.00 0.00 N ATOM 0 H ASN A 421 -4.347 20.155 13.199 1.00 0.00 H new ATOM 0 HA ASN A 421 -2.515 20.295 10.877 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -1.444 20.190 13.212 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -2.164 18.601 13.384 1.00 0.00 H new ATOM 0 HD21 ASN A 421 0.224 16.888 11.525 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -1.185 16.883 12.591 1.00 0.00 H new ATOM 147 N PRO A 422 -3.836 18.391 9.893 1.00 0.00 N ATOM 148 CA PRO A 422 -4.492 17.240 9.297 1.00 0.00 C ATOM 149 C PRO A 422 -3.553 16.033 9.253 1.00 0.00 C ATOM 150 O PRO A 422 -3.996 14.892 9.371 1.00 0.00 O ATOM 151 CB PRO A 422 -4.926 17.705 7.917 1.00 0.00 C ATOM 152 CG PRO A 422 -4.094 18.940 7.612 1.00 0.00 C ATOM 153 CD PRO A 422 -3.450 19.399 8.910 1.00 0.00 C ATOM 0 HA PRO A 422 -5.350 16.900 9.877 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -4.758 16.927 7.172 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -5.991 17.938 7.900 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.332 18.712 6.867 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -4.720 19.729 7.196 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -2.366 19.463 8.813 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -3.803 20.389 9.199 1.00 0.00 H new ATOM 161 N CYS A 423 -2.272 16.328 9.084 1.00 0.00 N ATOM 162 CA CYS A 423 -1.266 15.282 9.022 1.00 0.00 C ATOM 163 C CYS A 423 -1.588 14.241 10.097 1.00 0.00 C ATOM 164 O CYS A 423 -1.246 13.068 9.953 1.00 0.00 O ATOM 165 CB CYS A 423 0.147 15.847 9.182 1.00 0.00 C ATOM 166 SG CYS A 423 0.275 17.662 8.991 1.00 0.00 S ATOM 0 H CYS A 423 -1.908 17.276 8.988 1.00 0.00 H new ATOM 0 HA CYS A 423 -1.290 14.809 8.040 1.00 0.00 H new ATOM 0 HB2 CYS A 423 0.523 15.572 10.167 1.00 0.00 H new ATOM 0 HB3 CYS A 423 0.798 15.372 8.448 1.00 0.00 H new ATOM 171 N GLU A 424 -2.246 14.707 11.148 1.00 0.00 N ATOM 172 CA GLU A 424 -2.619 13.831 12.245 1.00 0.00 C ATOM 173 C GLU A 424 -1.465 13.706 13.242 1.00 0.00 C ATOM 174 O GLU A 424 -1.590 14.107 14.398 1.00 0.00 O ATOM 175 CB GLU A 424 -3.049 12.457 11.729 1.00 0.00 C ATOM 176 CG GLU A 424 -4.010 12.592 10.546 1.00 0.00 C ATOM 177 CD GLU A 424 -4.789 11.295 10.320 1.00 0.00 C ATOM 178 OE1 GLU A 424 -4.332 10.217 10.734 1.00 0.00 O ATOM 179 OE2 GLU A 424 -5.907 11.431 9.693 1.00 0.00 O ATOM 0 H GLU A 424 -2.530 15.680 11.263 1.00 0.00 H new ATOM 0 HA GLU A 424 -3.472 14.272 12.761 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -2.171 11.887 11.426 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -3.530 11.898 12.531 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -4.706 13.411 10.730 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -3.450 12.846 9.646 1.00 0.00 H new ATOM 187 N HIS A 425 -0.365 13.148 12.756 1.00 0.00 N ATOM 188 CA HIS A 425 0.812 12.965 13.589 1.00 0.00 C ATOM 189 C HIS A 425 2.040 12.754 12.703 1.00 0.00 C ATOM 190 O HIS A 425 3.111 13.294 12.980 1.00 0.00 O ATOM 191 CB HIS A 425 0.597 11.826 14.588 1.00 0.00 C ATOM 192 CG HIS A 425 0.448 10.467 13.947 1.00 0.00 C ATOM 193 ND1 HIS A 425 0.971 9.313 14.505 1.00 0.00 N ATOM 194 CD2 HIS A 425 -0.172 10.090 12.793 1.00 0.00 C ATOM 195 CE1 HIS A 425 0.675 8.294 13.712 1.00 0.00 C ATOM 196 NE2 HIS A 425 -0.034 8.778 12.652 1.00 0.00 N ATOM 0 H HIS A 425 -0.264 12.817 11.797 1.00 0.00 H new ATOM 0 HA HIS A 425 0.987 13.863 14.182 1.00 0.00 H new ATOM 0 HB2 HIS A 425 1.439 11.800 15.280 1.00 0.00 H new ATOM 0 HB3 HIS A 425 -0.294 12.038 15.178 1.00 0.00 H new ATOM 0 HD1 HIS A 425 1.495 9.257 15.378 1.00 0.00 H new ATOM 0 HD2 HIS A 425 -0.688 10.748 12.109 1.00 0.00 H new ATOM 0 HE1 HIS A 425 0.947 7.262 13.876 1.00 0.00 H new ATOM 204 N ALA A 426 1.846 11.965 11.656 1.00 0.00 N ATOM 205 CA ALA A 426 2.925 11.677 10.727 1.00 0.00 C ATOM 206 C ALA A 426 2.689 12.443 9.423 1.00 0.00 C ATOM 207 O ALA A 426 1.828 12.071 8.628 1.00 0.00 O ATOM 208 CB ALA A 426 3.017 10.165 10.506 1.00 0.00 C ATOM 0 H ALA A 426 0.958 11.517 11.431 1.00 0.00 H new ATOM 0 HA ALA A 426 3.881 12.007 11.134 1.00 0.00 H new ATOM 0 HB1 ALA A 426 3.826 9.948 9.809 1.00 0.00 H new ATOM 0 HB2 ALA A 426 3.214 9.670 11.457 1.00 0.00 H new ATOM 0 HB3 ALA A 426 2.076 9.799 10.095 1.00 0.00 H new ATOM 214 N GLY A 427 3.472 13.497 9.246 1.00 0.00 N ATOM 215 CA GLY A 427 3.359 14.319 8.052 1.00 0.00 C ATOM 216 C GLY A 427 3.991 15.693 8.272 1.00 0.00 C ATOM 217 O GLY A 427 4.243 16.091 9.407 1.00 0.00 O ATOM 0 H GLY A 427 4.186 13.801 9.908 1.00 0.00 H new ATOM 0 HA2 GLY A 427 3.847 13.820 7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 427 2.309 14.436 7.785 1.00 0.00 H new ATOM 221 N LYS A 428 4.232 16.383 7.166 1.00 0.00 N ATOM 222 CA LYS A 428 4.830 17.705 7.222 1.00 0.00 C ATOM 223 C LYS A 428 3.722 18.762 7.254 1.00 0.00 C ATOM 224 O LYS A 428 2.815 18.738 6.424 1.00 0.00 O ATOM 225 CB LYS A 428 5.825 17.893 6.076 1.00 0.00 C ATOM 226 CG LYS A 428 6.901 18.919 6.446 1.00 0.00 C ATOM 227 CD LYS A 428 7.314 19.742 5.224 1.00 0.00 C ATOM 228 CE LYS A 428 8.695 19.320 4.721 1.00 0.00 C ATOM 229 NZ LYS A 428 9.377 20.456 4.060 1.00 0.00 N ATOM 0 H LYS A 428 4.023 16.050 6.225 1.00 0.00 H new ATOM 0 HA LYS A 428 5.409 17.821 8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 428 6.294 16.939 5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 428 5.297 18.222 5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 428 6.525 19.582 7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 428 7.772 18.407 6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 428 6.579 19.614 4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 428 7.325 20.801 5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 428 9.298 18.962 5.555 1.00 0.00 H new ATOM 0 HE3 LYS A 428 8.595 18.491 4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 10.313 20.151 3.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 8.808 20.780 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 9.489 21.236 4.739 1.00 0.00 H new ATOM 242 N CYS A 429 3.834 19.662 8.219 1.00 0.00 N ATOM 243 CA CYS A 429 2.855 20.724 8.369 1.00 0.00 C ATOM 244 C CYS A 429 3.569 22.065 8.194 1.00 0.00 C ATOM 245 O CYS A 429 4.508 22.373 8.924 1.00 0.00 O ATOM 246 CB CYS A 429 2.127 20.636 9.713 1.00 0.00 C ATOM 247 SG CYS A 429 2.744 21.786 10.996 1.00 0.00 S ATOM 0 H CYS A 429 4.588 19.678 8.905 1.00 0.00 H new ATOM 0 HA CYS A 429 2.084 20.622 7.605 1.00 0.00 H new ATOM 0 HB2 CYS A 429 1.067 20.831 9.550 1.00 0.00 H new ATOM 0 HB3 CYS A 429 2.209 19.616 10.089 1.00 0.00 H new ATOM 252 N ILE A 430 3.095 22.828 7.218 1.00 0.00 N ATOM 253 CA ILE A 430 3.677 24.130 6.936 1.00 0.00 C ATOM 254 C ILE A 430 2.604 25.209 7.099 1.00 0.00 C ATOM 255 O ILE A 430 1.422 24.898 7.235 1.00 0.00 O ATOM 256 CB ILE A 430 4.348 24.130 5.562 1.00 0.00 C ATOM 257 CG1 ILE A 430 4.053 22.832 4.807 1.00 0.00 C ATOM 258 CG2 ILE A 430 5.850 24.394 5.685 1.00 0.00 C ATOM 259 CD1 ILE A 430 4.753 21.643 5.468 1.00 0.00 C ATOM 0 H ILE A 430 2.315 22.569 6.613 1.00 0.00 H new ATOM 0 HA ILE A 430 4.468 24.358 7.650 1.00 0.00 H new ATOM 0 HB ILE A 430 3.925 24.946 4.976 1.00 0.00 H new ATOM 0 HG12 ILE A 430 2.977 22.658 4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 430 4.385 22.925 3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 430 6.303 24.389 4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 430 6.012 25.365 6.152 1.00 0.00 H new ATOM 0 HG23 ILE A 430 6.307 23.616 6.297 1.00 0.00 H new ATOM 0 HD11 ILE A 430 4.527 20.733 4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 430 5.830 21.810 5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 430 4.401 21.538 6.494 1.00 0.00 H new ATOM 271 N ASN A 431 3.056 26.453 7.079 1.00 0.00 N ATOM 272 CA ASN A 431 2.149 27.581 7.223 1.00 0.00 C ATOM 273 C ASN A 431 2.037 28.312 5.883 1.00 0.00 C ATOM 274 O ASN A 431 3.041 28.538 5.209 1.00 0.00 O ATOM 275 CB ASN A 431 2.667 28.575 8.264 1.00 0.00 C ATOM 276 CG ASN A 431 1.849 29.868 8.240 1.00 0.00 C ATOM 277 OD1 ASN A 431 0.783 29.948 7.653 1.00 0.00 O ATOM 278 ND2 ASN A 431 2.408 30.873 8.910 1.00 0.00 N ATOM 0 H ASN A 431 4.038 26.706 6.965 1.00 0.00 H new ATOM 0 HA ASN A 431 1.180 27.198 7.543 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.617 28.127 9.256 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.715 28.800 8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 431 1.941 31.779 8.954 1.00 0.00 H new ATOM 0 HD22 ASN A 431 3.303 30.737 9.379 1.00 0.00 H new ATOM 285 N THR A 432 0.807 28.663 5.539 1.00 0.00 N ATOM 286 CA THR A 432 0.551 29.364 4.292 1.00 0.00 C ATOM 287 C THR A 432 -0.239 30.649 4.556 1.00 0.00 C ATOM 288 O THR A 432 -0.716 30.871 5.668 1.00 0.00 O ATOM 289 CB THR A 432 -0.162 28.398 3.344 1.00 0.00 C ATOM 290 OG1 THR A 432 -0.560 27.318 4.183 1.00 0.00 O ATOM 291 CG2 THR A 432 0.794 27.755 2.337 1.00 0.00 C ATOM 0 H THR A 432 -0.023 28.475 6.101 1.00 0.00 H new ATOM 0 HA THR A 432 1.480 29.681 3.818 1.00 0.00 H new ATOM 0 HB THR A 432 -0.950 28.929 2.809 1.00 0.00 H new ATOM 0 HG1 THR A 432 0.199 26.714 4.322 1.00 0.00 H new ATOM 0 HG21 THR A 432 0.238 27.078 1.688 1.00 0.00 H new ATOM 0 HG22 THR A 432 1.264 28.532 1.734 1.00 0.00 H new ATOM 0 HG23 THR A 432 1.562 27.196 2.871 1.00 0.00 H new ATOM 299 N LEU A 433 -0.352 31.459 3.515 1.00 0.00 N ATOM 300 CA LEU A 433 -1.076 32.716 3.619 1.00 0.00 C ATOM 301 C LEU A 433 -2.579 32.436 3.607 1.00 0.00 C ATOM 302 O LEU A 433 -3.093 31.825 2.672 1.00 0.00 O ATOM 303 CB LEU A 433 -0.622 33.687 2.528 1.00 0.00 C ATOM 304 CG LEU A 433 0.406 34.739 2.952 1.00 0.00 C ATOM 305 CD1 LEU A 433 1.126 35.324 1.735 1.00 0.00 C ATOM 306 CD2 LEU A 433 -0.244 35.826 3.811 1.00 0.00 C ATOM 0 H LEU A 433 0.045 31.271 2.595 1.00 0.00 H new ATOM 0 HA LEU A 433 -0.851 33.208 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -0.202 33.108 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -1.500 34.202 2.139 1.00 0.00 H new ATOM 0 HG LEU A 433 1.161 34.250 3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 433 1.851 36.069 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 433 1.642 34.527 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 433 0.399 35.794 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 433 0.508 36.561 4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -1.032 36.318 3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -0.672 35.375 4.706 1.00 0.00 H new ATOM 318 N GLY A 434 -3.243 32.897 4.657 1.00 0.00 N ATOM 319 CA GLY A 434 -4.678 32.704 4.779 1.00 0.00 C ATOM 320 C GLY A 434 -5.000 31.316 5.337 1.00 0.00 C ATOM 321 O GLY A 434 -5.844 31.178 6.220 1.00 0.00 O ATOM 0 H GLY A 434 -2.814 33.404 5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -5.097 33.469 5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -5.149 32.826 3.804 1.00 0.00 H new ATOM 325 N SER A 435 -4.308 30.323 4.797 1.00 0.00 N ATOM 326 CA SER A 435 -4.510 28.950 5.230 1.00 0.00 C ATOM 327 C SER A 435 -3.158 28.275 5.473 1.00 0.00 C ATOM 328 O SER A 435 -2.110 28.853 5.188 1.00 0.00 O ATOM 329 CB SER A 435 -5.321 28.160 4.201 1.00 0.00 C ATOM 330 OG SER A 435 -5.721 26.888 4.699 1.00 0.00 O ATOM 0 H SER A 435 -3.608 30.441 4.065 1.00 0.00 H new ATOM 0 HA SER A 435 -5.075 28.965 6.162 1.00 0.00 H new ATOM 0 HB2 SER A 435 -6.204 28.733 3.919 1.00 0.00 H new ATOM 0 HB3 SER A 435 -4.727 28.025 3.297 1.00 0.00 H new ATOM 0 HG SER A 435 -6.238 26.416 4.013 1.00 0.00 H new ATOM 336 N PHE A 436 -3.226 27.059 5.996 1.00 0.00 N ATOM 337 CA PHE A 436 -2.021 26.299 6.279 1.00 0.00 C ATOM 338 C PHE A 436 -1.839 25.162 5.273 1.00 0.00 C ATOM 339 O PHE A 436 -2.789 24.768 4.598 1.00 0.00 O ATOM 340 CB PHE A 436 -2.187 25.702 7.679 1.00 0.00 C ATOM 341 CG PHE A 436 -3.187 24.546 7.748 1.00 0.00 C ATOM 342 CD1 PHE A 436 -2.797 23.288 7.411 1.00 0.00 C ATOM 343 CD2 PHE A 436 -4.468 24.777 8.143 1.00 0.00 C ATOM 344 CE1 PHE A 436 -3.726 22.214 7.475 1.00 0.00 C ATOM 345 CE2 PHE A 436 -5.396 23.705 8.207 1.00 0.00 C ATOM 346 CZ PHE A 436 -5.005 22.447 7.872 1.00 0.00 C ATOM 0 H PHE A 436 -4.097 26.582 6.231 1.00 0.00 H new ATOM 0 HA PHE A 436 -1.149 26.949 6.213 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -1.217 25.351 8.031 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -2.508 26.488 8.362 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -1.781 23.105 7.095 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -4.779 25.777 8.408 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -3.416 21.214 7.209 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -6.413 23.889 8.522 1.00 0.00 H new ATOM 0 HZ PHE A 436 -5.711 21.632 7.921 1.00 0.00 H new ATOM 356 N GLU A 437 -0.612 24.668 5.200 1.00 0.00 N ATOM 357 CA GLU A 437 -0.294 23.584 4.286 1.00 0.00 C ATOM 358 C GLU A 437 0.353 22.423 5.043 1.00 0.00 C ATOM 359 O GLU A 437 1.115 22.639 5.985 1.00 0.00 O ATOM 360 CB GLU A 437 0.610 24.072 3.152 1.00 0.00 C ATOM 361 CG GLU A 437 1.286 22.894 2.446 1.00 0.00 C ATOM 362 CD GLU A 437 1.509 23.199 0.963 1.00 0.00 C ATOM 363 OE1 GLU A 437 0.664 22.852 0.125 1.00 0.00 O ATOM 364 OE2 GLU A 437 2.606 23.821 0.693 1.00 0.00 O ATOM 0 H GLU A 437 0.174 24.999 5.759 1.00 0.00 H new ATOM 0 HA GLU A 437 -1.222 23.227 3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 437 0.022 24.643 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 437 1.368 24.746 3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 437 2.241 22.678 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.669 22.001 2.549 1.00 0.00 H new ATOM 372 N CYS A 438 0.026 21.216 4.604 1.00 0.00 N ATOM 373 CA CYS A 438 0.565 20.021 5.229 1.00 0.00 C ATOM 374 C CYS A 438 0.846 18.990 4.132 1.00 0.00 C ATOM 375 O CYS A 438 -0.044 18.647 3.355 1.00 0.00 O ATOM 376 CB CYS A 438 -0.375 19.470 6.302 1.00 0.00 C ATOM 377 SG CYS A 438 0.286 18.049 7.246 1.00 0.00 S ATOM 0 H CYS A 438 -0.606 21.041 3.823 1.00 0.00 H new ATOM 0 HA CYS A 438 1.494 20.265 5.744 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.616 20.272 7.000 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.309 19.170 5.827 1.00 0.00 H new ATOM 382 N GLN A 439 2.087 18.526 4.105 1.00 0.00 N ATOM 383 CA GLN A 439 2.495 17.543 3.116 1.00 0.00 C ATOM 384 C GLN A 439 2.187 16.129 3.615 1.00 0.00 C ATOM 385 O GLN A 439 2.219 15.872 4.817 1.00 0.00 O ATOM 386 CB GLN A 439 3.979 17.692 2.775 1.00 0.00 C ATOM 387 CG GLN A 439 4.400 19.162 2.791 1.00 0.00 C ATOM 388 CD GLN A 439 5.753 19.352 2.104 1.00 0.00 C ATOM 389 OE1 GLN A 439 6.267 18.474 1.432 1.00 0.00 O ATOM 390 NE2 GLN A 439 6.302 20.547 2.310 1.00 0.00 N ATOM 0 H GLN A 439 2.822 18.812 4.751 1.00 0.00 H new ATOM 0 HA GLN A 439 1.926 17.718 2.203 1.00 0.00 H new ATOM 0 HB2 GLN A 439 4.579 17.130 3.491 1.00 0.00 H new ATOM 0 HB3 GLN A 439 4.175 17.265 1.791 1.00 0.00 H new ATOM 0 HG2 GLN A 439 3.645 19.766 2.288 1.00 0.00 H new ATOM 0 HG3 GLN A 439 4.458 19.516 3.820 1.00 0.00 H new ATOM 0 HE21 GLN A 439 5.819 21.238 2.884 1.00 0.00 H new ATOM 0 HE22 GLN A 439 7.206 20.771 1.894 1.00 0.00 H new ATOM 399 N CYS A 440 1.895 15.252 2.666 1.00 0.00 N ATOM 400 CA CYS A 440 1.581 13.872 2.996 1.00 0.00 C ATOM 401 C CYS A 440 2.891 13.086 3.070 1.00 0.00 C ATOM 402 O CYS A 440 3.948 13.600 2.708 1.00 0.00 O ATOM 403 CB CYS A 440 0.604 13.259 1.989 1.00 0.00 C ATOM 404 SG CYS A 440 0.927 13.697 0.242 1.00 0.00 S ATOM 0 H CYS A 440 1.869 15.470 1.670 1.00 0.00 H new ATOM 0 HA CYS A 440 1.079 13.831 3.963 1.00 0.00 H new ATOM 0 HB2 CYS A 440 0.635 12.174 2.089 1.00 0.00 H new ATOM 0 HB3 CYS A 440 -0.407 13.574 2.247 1.00 0.00 H new ATOM 409 N LEU A 441 2.779 11.852 3.540 1.00 0.00 N ATOM 410 CA LEU A 441 3.942 10.991 3.668 1.00 0.00 C ATOM 411 C LEU A 441 3.537 9.546 3.365 1.00 0.00 C ATOM 412 O LEU A 441 2.397 9.153 3.613 1.00 0.00 O ATOM 413 CB LEU A 441 4.596 11.171 5.039 1.00 0.00 C ATOM 414 CG LEU A 441 3.792 10.662 6.237 1.00 0.00 C ATOM 415 CD1 LEU A 441 2.294 10.901 6.036 1.00 0.00 C ATOM 416 CD2 LEU A 441 4.103 9.191 6.521 1.00 0.00 C ATOM 0 H LEU A 441 1.900 11.428 3.837 1.00 0.00 H new ATOM 0 HA LEU A 441 4.703 11.270 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 441 5.559 10.661 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 441 4.798 12.232 5.187 1.00 0.00 H new ATOM 0 HG LEU A 441 4.094 11.232 7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 441 1.747 10.530 6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 441 2.108 11.969 5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 441 1.958 10.375 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 441 3.518 8.854 7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.848 8.590 5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 441 5.165 9.079 6.740 1.00 0.00 H new ATOM 428 N GLN A 442 4.490 8.797 2.833 1.00 0.00 N ATOM 429 CA GLN A 442 4.246 7.405 2.493 1.00 0.00 C ATOM 430 C GLN A 442 3.020 7.287 1.587 1.00 0.00 C ATOM 431 O GLN A 442 3.110 7.518 0.382 1.00 0.00 O ATOM 432 CB GLN A 442 4.080 6.555 3.755 1.00 0.00 C ATOM 433 CG GLN A 442 5.434 6.056 4.263 1.00 0.00 C ATOM 434 CD GLN A 442 5.810 6.737 5.580 1.00 0.00 C ATOM 435 OE1 GLN A 442 6.358 7.940 5.430 1.00 0.00 O flip ATOM 436 NE2 GLN A 442 5.617 6.205 6.661 1.00 0.00 N flip ATOM 0 H GLN A 442 5.433 9.127 2.629 1.00 0.00 H new ATOM 0 HA GLN A 442 5.112 7.026 1.950 1.00 0.00 H new ATOM 0 HB2 GLN A 442 3.591 7.143 4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 442 3.432 5.705 3.542 1.00 0.00 H new ATOM 0 HG2 GLN A 442 5.397 4.976 4.405 1.00 0.00 H new ATOM 0 HG3 GLN A 442 6.202 6.253 3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 442 5.192 5.279 6.705 1.00 0.00 H new ATOM 0 HE22 GLN A 442 5.881 6.686 7.521 1.00 0.00 H new ATOM 445 N GLY A 443 1.903 6.926 2.200 1.00 0.00 N ATOM 446 CA GLY A 443 0.660 6.774 1.462 1.00 0.00 C ATOM 447 C GLY A 443 -0.523 7.320 2.264 1.00 0.00 C ATOM 448 O GLY A 443 -1.314 6.552 2.811 1.00 0.00 O ATOM 0 H GLY A 443 1.832 6.734 3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 443 0.732 7.299 0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 443 0.495 5.721 1.234 1.00 0.00 H new ATOM 452 N TYR A 444 -0.608 8.641 2.308 1.00 0.00 N ATOM 453 CA TYR A 444 -1.682 9.298 3.033 1.00 0.00 C ATOM 454 C TYR A 444 -2.751 9.824 2.072 1.00 0.00 C ATOM 455 O TYR A 444 -2.499 9.973 0.878 1.00 0.00 O ATOM 456 CB TYR A 444 -1.038 10.483 3.758 1.00 0.00 C ATOM 457 CG TYR A 444 -0.741 10.222 5.235 1.00 0.00 C ATOM 458 CD1 TYR A 444 -0.033 9.099 5.608 1.00 0.00 C ATOM 459 CD2 TYR A 444 -1.181 11.111 6.194 1.00 0.00 C ATOM 460 CE1 TYR A 444 0.247 8.853 7.000 1.00 0.00 C ATOM 461 CE2 TYR A 444 -0.903 10.866 7.586 1.00 0.00 C ATOM 462 CZ TYR A 444 -0.202 9.749 7.919 1.00 0.00 C ATOM 463 OH TYR A 444 0.062 9.517 9.233 1.00 0.00 O ATOM 0 H TYR A 444 0.049 9.274 1.853 1.00 0.00 H new ATOM 0 HA TYR A 444 -2.165 8.601 3.718 1.00 0.00 H new ATOM 0 HB2 TYR A 444 -0.109 10.744 3.252 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -1.698 11.347 3.678 1.00 0.00 H new ATOM 0 HD1 TYR A 444 0.312 8.404 4.857 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -1.734 11.991 5.901 1.00 0.00 H new ATOM 0 HE1 TYR A 444 0.800 7.978 7.306 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -1.243 11.553 8.347 1.00 0.00 H new ATOM 0 HH TYR A 444 0.121 10.371 9.711 1.00 0.00 H new ATOM 473 N THR A 445 -3.923 10.089 2.631 1.00 0.00 N ATOM 474 CA THR A 445 -5.031 10.596 1.839 1.00 0.00 C ATOM 475 C THR A 445 -5.198 12.100 2.055 1.00 0.00 C ATOM 476 O THR A 445 -4.269 12.871 1.820 1.00 0.00 O ATOM 477 CB THR A 445 -6.279 9.788 2.204 1.00 0.00 C ATOM 478 OG1 THR A 445 -7.344 10.488 1.567 1.00 0.00 O ATOM 479 CG2 THR A 445 -6.616 9.871 3.694 1.00 0.00 C ATOM 0 H THR A 445 -4.129 9.962 3.622 1.00 0.00 H new ATOM 0 HA THR A 445 -4.844 10.472 0.772 1.00 0.00 H new ATOM 0 HB THR A 445 -6.131 8.745 1.924 1.00 0.00 H new ATOM 0 HG1 THR A 445 -8.191 10.031 1.750 1.00 0.00 H new ATOM 0 HG21 THR A 445 -7.509 9.281 3.898 1.00 0.00 H new ATOM 0 HG22 THR A 445 -5.782 9.482 4.278 1.00 0.00 H new ATOM 0 HG23 THR A 445 -6.797 10.910 3.969 1.00 0.00 H new ATOM 487 N GLY A 446 -6.390 12.475 2.498 1.00 0.00 N ATOM 488 CA GLY A 446 -6.689 13.874 2.747 1.00 0.00 C ATOM 489 C GLY A 446 -6.972 14.615 1.439 1.00 0.00 C ATOM 490 O GLY A 446 -6.508 14.205 0.376 1.00 0.00 O ATOM 0 H GLY A 446 -7.159 11.834 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -7.552 13.953 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -5.850 14.343 3.261 1.00 0.00 H new ATOM 494 N PRO A 447 -7.751 15.724 1.563 1.00 0.00 N ATOM 495 CA PRO A 447 -8.100 16.525 0.402 1.00 0.00 C ATOM 496 C PRO A 447 -6.912 17.371 -0.057 1.00 0.00 C ATOM 497 O PRO A 447 -6.860 17.800 -1.209 1.00 0.00 O ATOM 498 CB PRO A 447 -9.289 17.363 0.848 1.00 0.00 C ATOM 499 CG PRO A 447 -9.268 17.342 2.369 1.00 0.00 C ATOM 500 CD PRO A 447 -8.318 16.238 2.805 1.00 0.00 C ATOM 0 HA PRO A 447 -8.358 15.919 -0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -9.212 18.383 0.471 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -10.223 16.951 0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -8.940 18.305 2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -10.269 17.163 2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -7.541 16.623 3.466 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -8.844 15.457 3.353 1.00 0.00 H new ATOM 508 N ARG A 448 -5.986 17.586 0.866 1.00 0.00 N ATOM 509 CA ARG A 448 -4.801 18.372 0.570 1.00 0.00 C ATOM 510 C ARG A 448 -3.553 17.487 0.606 1.00 0.00 C ATOM 511 O ARG A 448 -2.467 17.923 0.231 1.00 0.00 O ATOM 512 CB ARG A 448 -4.635 19.516 1.570 1.00 0.00 C ATOM 513 CG ARG A 448 -5.974 20.207 1.842 1.00 0.00 C ATOM 514 CD ARG A 448 -6.470 20.945 0.597 1.00 0.00 C ATOM 515 NE ARG A 448 -7.182 22.181 0.991 1.00 0.00 N ATOM 516 CZ ARG A 448 -8.505 22.243 1.254 1.00 0.00 C ATOM 517 NH1 ARG A 448 -9.273 21.136 1.165 1.00 0.00 N ATOM 518 NH2 ARG A 448 -9.036 23.401 1.598 1.00 0.00 N ATOM 0 H ARG A 448 -6.033 17.229 1.820 1.00 0.00 H new ATOM 0 HA ARG A 448 -4.924 18.792 -0.428 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -4.224 19.131 2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -3.920 20.241 1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -6.713 19.468 2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -5.864 20.911 2.667 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -5.628 21.191 -0.050 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -7.135 20.300 0.023 1.00 0.00 H new ATOM 0 HE ARG A 448 -6.639 23.041 1.069 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -8.854 20.245 0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -10.272 21.191 1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -8.449 24.232 1.662 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -10.034 23.465 1.800 1.00 0.00 H new ATOM 531 N CYS A 449 -3.752 16.258 1.062 1.00 0.00 N ATOM 532 CA CYS A 449 -2.656 15.308 1.153 1.00 0.00 C ATOM 533 C CYS A 449 -2.023 15.436 2.539 1.00 0.00 C ATOM 534 O CYS A 449 -0.825 15.691 2.656 1.00 0.00 O ATOM 535 CB CYS A 449 -1.632 15.517 0.035 1.00 0.00 C ATOM 536 SG CYS A 449 -0.860 13.981 -0.595 1.00 0.00 S ATOM 0 H CYS A 449 -4.655 15.899 1.372 1.00 0.00 H new ATOM 0 HA CYS A 449 -3.037 14.295 1.022 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -2.120 16.029 -0.795 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -0.846 16.179 0.400 1.00 0.00 H new ATOM 541 N GLU A 450 -2.854 15.255 3.554 1.00 0.00 N ATOM 542 CA GLU A 450 -2.390 15.346 4.928 1.00 0.00 C ATOM 543 C GLU A 450 -3.211 14.423 5.830 1.00 0.00 C ATOM 544 O GLU A 450 -3.198 14.568 7.050 1.00 0.00 O ATOM 545 CB GLU A 450 -2.444 16.791 5.429 1.00 0.00 C ATOM 546 CG GLU A 450 -3.049 17.717 4.372 1.00 0.00 C ATOM 547 CD GLU A 450 -4.560 17.508 4.259 1.00 0.00 C ATOM 548 OE1 GLU A 450 -5.305 17.860 5.185 1.00 0.00 O ATOM 549 OE2 GLU A 450 -4.953 16.956 3.161 1.00 0.00 O ATOM 0 H GLU A 450 -3.847 15.046 3.453 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.350 15.021 4.961 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -3.036 16.841 6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -1.439 17.130 5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -2.840 18.755 4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -2.579 17.529 3.407 1.00 0.00 H new ATOM 557 N ILE A 451 -3.907 13.494 5.191 1.00 0.00 N ATOM 558 CA ILE A 451 -4.735 12.547 5.920 1.00 0.00 C ATOM 559 C ILE A 451 -4.252 11.125 5.626 1.00 0.00 C ATOM 560 O ILE A 451 -3.802 10.835 4.519 1.00 0.00 O ATOM 561 CB ILE A 451 -6.214 12.773 5.605 1.00 0.00 C ATOM 562 CG1 ILE A 451 -6.725 14.057 6.261 1.00 0.00 C ATOM 563 CG2 ILE A 451 -7.051 11.555 6.001 1.00 0.00 C ATOM 564 CD1 ILE A 451 -6.316 15.287 5.448 1.00 0.00 C ATOM 0 H ILE A 451 -3.915 13.377 4.178 1.00 0.00 H new ATOM 0 HA ILE A 451 -4.637 12.702 6.994 1.00 0.00 H new ATOM 0 HB ILE A 451 -6.318 12.899 4.527 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -7.811 14.018 6.348 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -6.327 14.136 7.273 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -8.099 11.742 5.766 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -6.706 10.681 5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -6.945 11.373 7.071 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.691 16.187 5.936 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -5.229 15.336 5.384 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -6.736 15.216 4.445 1.00 0.00 H new ATOM 576 N ASP A 452 -4.366 10.274 6.636 1.00 0.00 N ATOM 577 CA ASP A 452 -3.947 8.890 6.500 1.00 0.00 C ATOM 578 C ASP A 452 -5.172 8.017 6.221 1.00 0.00 C ATOM 579 O ASP A 452 -6.136 8.031 6.986 1.00 0.00 O ATOM 580 CB ASP A 452 -3.288 8.384 7.785 1.00 0.00 C ATOM 581 CG ASP A 452 -2.710 6.970 7.701 1.00 0.00 C ATOM 582 OD1 ASP A 452 -1.507 6.786 7.457 1.00 0.00 O ATOM 583 OD2 ASP A 452 -3.560 6.020 7.901 1.00 0.00 O ATOM 0 H ASP A 452 -4.743 10.517 7.552 1.00 0.00 H new ATOM 0 HA ASP A 452 -3.229 8.834 5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -2.488 9.072 8.061 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -4.024 8.412 8.589 1.00 0.00 H new ATOM 589 N VAL A 453 -5.097 7.278 5.124 1.00 0.00 N ATOM 590 CA VAL A 453 -6.188 6.402 4.735 1.00 0.00 C ATOM 591 C VAL A 453 -5.872 4.973 5.184 1.00 0.00 C ATOM 592 O VAL A 453 -4.735 4.666 5.537 1.00 0.00 O ATOM 593 CB VAL A 453 -6.438 6.512 3.230 1.00 0.00 C ATOM 594 CG1 VAL A 453 -5.120 6.632 2.464 1.00 0.00 C ATOM 595 CG2 VAL A 453 -7.263 5.328 2.723 1.00 0.00 C ATOM 0 H VAL A 453 -4.297 7.268 4.492 1.00 0.00 H new ATOM 0 HA VAL A 453 -7.113 6.703 5.227 1.00 0.00 H new ATOM 0 HB VAL A 453 -7.013 7.420 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.325 6.709 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -4.586 7.523 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -4.508 5.750 2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -7.426 5.431 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -6.727 4.400 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -8.225 5.308 3.236 1.00 0.00 H new ATOM 605 N ASN A 454 -6.901 4.138 5.159 1.00 0.00 N ATOM 606 CA ASN A 454 -6.749 2.750 5.559 1.00 0.00 C ATOM 607 C ASN A 454 -6.574 1.880 4.313 1.00 0.00 C ATOM 608 O ASN A 454 -7.301 2.039 3.334 1.00 0.00 O ATOM 609 CB ASN A 454 -7.985 2.253 6.313 1.00 0.00 C ATOM 610 CG ASN A 454 -7.595 1.272 7.419 1.00 0.00 C ATOM 611 OD1 ASN A 454 -7.070 0.197 7.175 1.00 0.00 O ATOM 612 ND2 ASN A 454 -7.882 1.697 8.646 1.00 0.00 N ATOM 0 H ASN A 454 -7.844 4.397 4.868 1.00 0.00 H new ATOM 0 HA ASN A 454 -5.878 2.682 6.211 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -8.517 3.101 6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -8.669 1.768 5.617 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -7.663 1.112 9.453 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -8.322 2.608 8.781 1.00 0.00 H new ATOM 619 N GLU A 455 -5.606 0.978 4.389 1.00 0.00 N ATOM 620 CA GLU A 455 -5.327 0.083 3.279 1.00 0.00 C ATOM 621 C GLU A 455 -5.498 -1.373 3.715 1.00 0.00 C ATOM 622 O GLU A 455 -5.464 -2.281 2.887 1.00 0.00 O ATOM 623 CB GLU A 455 -3.924 0.325 2.720 1.00 0.00 C ATOM 624 CG GLU A 455 -2.956 0.746 3.828 1.00 0.00 C ATOM 625 CD GLU A 455 -2.892 2.270 3.950 1.00 0.00 C ATOM 626 OE1 GLU A 455 -1.804 2.855 3.846 1.00 0.00 O ATOM 627 OE2 GLU A 455 -4.026 2.848 4.159 1.00 0.00 O ATOM 0 H GLU A 455 -5.005 0.848 5.203 1.00 0.00 H new ATOM 0 HA GLU A 455 -6.042 0.290 2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -3.559 -0.583 2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -3.963 1.099 1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -3.274 0.315 4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -1.962 0.352 3.616 1.00 0.00 H new ATOM 635 N CYS A 456 -5.682 -1.550 5.017 1.00 0.00 N ATOM 636 CA CYS A 456 -5.858 -2.881 5.572 1.00 0.00 C ATOM 637 C CYS A 456 -7.335 -3.056 5.935 1.00 0.00 C ATOM 638 O CYS A 456 -7.723 -4.083 6.490 1.00 0.00 O ATOM 639 CB CYS A 456 -4.945 -3.117 6.775 1.00 0.00 C ATOM 640 SG CYS A 456 -5.609 -2.526 8.375 1.00 0.00 S ATOM 0 H CYS A 456 -5.713 -0.794 5.701 1.00 0.00 H new ATOM 0 HA CYS A 456 -5.574 -3.628 4.831 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -4.742 -4.185 6.855 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -3.990 -2.624 6.590 1.00 0.00 H new ATOM 645 N VAL A 457 -8.118 -2.040 5.605 1.00 0.00 N ATOM 646 CA VAL A 457 -9.542 -2.068 5.889 1.00 0.00 C ATOM 647 C VAL A 457 -10.250 -2.925 4.837 1.00 0.00 C ATOM 648 O VAL A 457 -11.001 -3.839 5.177 1.00 0.00 O ATOM 649 CB VAL A 457 -10.090 -0.642 5.965 1.00 0.00 C ATOM 650 CG1 VAL A 457 -10.556 -0.159 4.591 1.00 0.00 C ATOM 651 CG2 VAL A 457 -11.220 -0.543 6.993 1.00 0.00 C ATOM 0 H VAL A 457 -7.792 -1.191 5.143 1.00 0.00 H new ATOM 0 HA VAL A 457 -9.728 -2.525 6.861 1.00 0.00 H new ATOM 0 HB VAL A 457 -9.280 0.010 6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -10.941 0.857 4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -9.716 -0.174 3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -11.344 -0.816 4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -11.592 0.481 7.027 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -12.030 -1.214 6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -10.843 -0.825 7.976 1.00 0.00 H new ATOM 661 N SER A 458 -9.986 -2.599 3.580 1.00 0.00 N ATOM 662 CA SER A 458 -10.588 -3.328 2.476 1.00 0.00 C ATOM 663 C SER A 458 -9.601 -4.360 1.930 1.00 0.00 C ATOM 664 O SER A 458 -9.920 -5.097 0.997 1.00 0.00 O ATOM 665 CB SER A 458 -11.029 -2.375 1.363 1.00 0.00 C ATOM 666 OG SER A 458 -12.441 -2.177 1.357 1.00 0.00 O ATOM 0 H SER A 458 -9.364 -1.840 3.302 1.00 0.00 H new ATOM 0 HA SER A 458 -11.473 -3.843 2.849 1.00 0.00 H new ATOM 0 HB2 SER A 458 -10.529 -1.415 1.489 1.00 0.00 H new ATOM 0 HB3 SER A 458 -10.715 -2.774 0.399 1.00 0.00 H new ATOM 0 HG SER A 458 -12.682 -1.561 0.633 1.00 0.00 H new ATOM 672 N ASN A 459 -8.421 -4.381 2.532 1.00 0.00 N ATOM 673 CA ASN A 459 -7.383 -5.310 2.117 1.00 0.00 C ATOM 674 C ASN A 459 -6.683 -5.872 3.356 1.00 0.00 C ATOM 675 O ASN A 459 -5.463 -5.787 3.474 1.00 0.00 O ATOM 676 CB ASN A 459 -6.331 -4.612 1.254 1.00 0.00 C ATOM 677 CG ASN A 459 -6.949 -3.461 0.460 1.00 0.00 C ATOM 678 OD1 ASN A 459 -7.310 -2.420 1.206 1.00 0.00 O flip ATOM 679 ND2 ASN A 459 -7.088 -3.512 -0.752 1.00 0.00 N flip ATOM 0 H ASN A 459 -8.160 -3.769 3.305 1.00 0.00 H new ATOM 0 HA ASN A 459 -7.854 -6.104 1.538 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -5.530 -4.232 1.888 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -5.882 -5.331 0.569 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -6.789 -4.341 -1.265 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -7.503 -2.725 -1.251 1.00 0.00 H new ATOM 686 N PRO A 460 -7.509 -6.449 4.270 1.00 0.00 N ATOM 687 CA PRO A 460 -6.982 -7.024 5.496 1.00 0.00 C ATOM 688 C PRO A 460 -6.294 -8.364 5.221 1.00 0.00 C ATOM 689 O PRO A 460 -5.755 -8.988 6.134 1.00 0.00 O ATOM 690 CB PRO A 460 -8.182 -7.153 6.419 1.00 0.00 C ATOM 691 CG PRO A 460 -9.407 -7.080 5.522 1.00 0.00 C ATOM 692 CD PRO A 460 -8.960 -6.567 4.163 1.00 0.00 C ATOM 0 HA PRO A 460 -6.210 -6.404 5.953 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -8.154 -8.095 6.966 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -8.192 -6.354 7.160 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -9.869 -8.063 5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -10.157 -6.416 5.953 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -9.244 -7.256 3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -9.419 -5.606 3.932 1.00 0.00 H new ATOM 700 N CYS A 461 -6.334 -8.766 3.959 1.00 0.00 N ATOM 701 CA CYS A 461 -5.723 -10.019 3.552 1.00 0.00 C ATOM 702 C CYS A 461 -6.681 -11.158 3.903 1.00 0.00 C ATOM 703 O CYS A 461 -6.370 -12.327 3.679 1.00 0.00 O ATOM 704 CB CYS A 461 -4.347 -10.211 4.196 1.00 0.00 C ATOM 705 SG CYS A 461 -3.270 -8.731 4.163 1.00 0.00 S ATOM 0 H CYS A 461 -6.781 -8.245 3.204 1.00 0.00 H new ATOM 0 HA CYS A 461 -5.551 -10.010 2.476 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -4.486 -10.518 5.232 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -3.834 -11.027 3.687 1.00 0.00 H new ATOM 710 N GLN A 462 -7.828 -10.777 4.447 1.00 0.00 N ATOM 711 CA GLN A 462 -8.835 -11.753 4.831 1.00 0.00 C ATOM 712 C GLN A 462 -8.167 -13.037 5.327 1.00 0.00 C ATOM 713 O GLN A 462 -6.985 -13.034 5.670 1.00 0.00 O ATOM 714 CB GLN A 462 -9.787 -12.043 3.669 1.00 0.00 C ATOM 715 CG GLN A 462 -9.133 -12.972 2.644 1.00 0.00 C ATOM 716 CD GLN A 462 -9.668 -14.399 2.776 1.00 0.00 C ATOM 717 OE1 GLN A 462 -8.721 -15.331 2.825 1.00 0.00 O flip ATOM 718 NE2 GLN A 462 -10.863 -14.639 2.832 1.00 0.00 N flip ATOM 0 H GLN A 462 -8.082 -9.807 4.631 1.00 0.00 H new ATOM 0 HA GLN A 462 -9.426 -11.336 5.646 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -10.701 -12.500 4.048 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -10.074 -11.108 3.187 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -9.324 -12.600 1.637 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -8.052 -12.971 2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -11.539 -13.876 2.789 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -11.186 -15.602 2.922 1.00 0.00 H new ATOM 727 N ASN A 463 -8.953 -14.103 5.352 1.00 0.00 N ATOM 728 CA ASN A 463 -8.452 -15.391 5.800 1.00 0.00 C ATOM 729 C ASN A 463 -8.426 -15.418 7.331 1.00 0.00 C ATOM 730 O ASN A 463 -8.761 -16.429 7.943 1.00 0.00 O ATOM 731 CB ASN A 463 -7.028 -15.635 5.299 1.00 0.00 C ATOM 732 CG ASN A 463 -6.025 -15.594 6.453 1.00 0.00 C ATOM 733 OD1 ASN A 463 -5.165 -14.582 6.388 1.00 0.00 O flip ATOM 734 ND2 ASN A 463 -6.032 -16.427 7.344 1.00 0.00 N flip ATOM 0 H ASN A 463 -9.933 -14.101 5.069 1.00 0.00 H new ATOM 0 HA ASN A 463 -9.110 -16.164 5.403 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -6.975 -16.603 4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -6.765 -14.880 4.558 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -6.721 -17.179 7.333 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -5.349 -16.371 8.100 1.00 0.00 H new ATOM 741 N ASP A 464 -8.023 -14.292 7.902 1.00 0.00 N ATOM 742 CA ASP A 464 -7.949 -14.174 9.350 1.00 0.00 C ATOM 743 C ASP A 464 -6.848 -13.177 9.719 1.00 0.00 C ATOM 744 O ASP A 464 -6.835 -12.643 10.827 1.00 0.00 O ATOM 745 CB ASP A 464 -7.605 -15.518 9.995 1.00 0.00 C ATOM 746 CG ASP A 464 -6.951 -15.424 11.375 1.00 0.00 C ATOM 747 OD1 ASP A 464 -5.718 -15.371 11.496 1.00 0.00 O ATOM 748 OD2 ASP A 464 -7.775 -15.404 12.368 1.00 0.00 O ATOM 0 H ASP A 464 -7.745 -13.455 7.390 1.00 0.00 H new ATOM 0 HA ASP A 464 -8.921 -13.839 9.712 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -8.518 -16.107 10.082 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -6.936 -16.063 9.329 1.00 0.00 H new ATOM 754 N ALA A 465 -5.951 -12.956 8.769 1.00 0.00 N ATOM 755 CA ALA A 465 -4.850 -12.032 8.980 1.00 0.00 C ATOM 756 C ALA A 465 -5.358 -10.802 9.735 1.00 0.00 C ATOM 757 O ALA A 465 -6.427 -10.278 9.427 1.00 0.00 O ATOM 758 CB ALA A 465 -4.221 -11.670 7.633 1.00 0.00 C ATOM 0 H ALA A 465 -5.964 -13.401 7.851 1.00 0.00 H new ATOM 0 HA ALA A 465 -4.073 -12.495 9.589 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -3.395 -10.977 7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -3.849 -12.574 7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -4.971 -11.201 6.996 1.00 0.00 H new ATOM 764 N THR A 466 -4.568 -10.378 10.709 1.00 0.00 N ATOM 765 CA THR A 466 -4.924 -9.219 11.511 1.00 0.00 C ATOM 766 C THR A 466 -4.526 -7.929 10.791 1.00 0.00 C ATOM 767 O THR A 466 -3.341 -7.619 10.674 1.00 0.00 O ATOM 768 CB THR A 466 -4.269 -9.375 12.886 1.00 0.00 C ATOM 769 OG1 THR A 466 -5.075 -10.347 13.546 1.00 0.00 O ATOM 770 CG2 THR A 466 -4.415 -8.121 13.748 1.00 0.00 C ATOM 0 H THR A 466 -3.682 -10.816 10.962 1.00 0.00 H new ATOM 0 HA THR A 466 -6.003 -9.154 11.655 1.00 0.00 H new ATOM 0 HB THR A 466 -3.212 -9.608 12.761 1.00 0.00 H new ATOM 0 HG1 THR A 466 -4.720 -10.510 14.445 1.00 0.00 H new ATOM 0 HG21 THR A 466 -3.934 -8.284 14.712 1.00 0.00 H new ATOM 0 HG22 THR A 466 -3.943 -7.277 13.245 1.00 0.00 H new ATOM 0 HG23 THR A 466 -5.473 -7.907 13.902 1.00 0.00 H new ATOM 778 N CYS A 467 -5.539 -7.212 10.329 1.00 0.00 N ATOM 779 CA CYS A 467 -5.310 -5.962 9.623 1.00 0.00 C ATOM 780 C CYS A 467 -4.783 -4.934 10.625 1.00 0.00 C ATOM 781 O CYS A 467 -5.441 -4.640 11.622 1.00 0.00 O ATOM 782 CB CYS A 467 -6.574 -5.472 8.914 1.00 0.00 C ATOM 783 SG CYS A 467 -6.946 -3.695 9.149 1.00 0.00 S ATOM 0 H CYS A 467 -6.520 -7.472 10.429 1.00 0.00 H new ATOM 0 HA CYS A 467 -4.569 -6.116 8.838 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.475 -5.670 7.847 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -7.423 -6.057 9.269 1.00 0.00 H new ATOM 788 N LEU A 468 -3.600 -4.416 10.328 1.00 0.00 N ATOM 789 CA LEU A 468 -2.977 -3.427 11.191 1.00 0.00 C ATOM 790 C LEU A 468 -2.632 -2.184 10.369 1.00 0.00 C ATOM 791 O LEU A 468 -1.505 -2.044 9.893 1.00 0.00 O ATOM 792 CB LEU A 468 -1.778 -4.034 11.923 1.00 0.00 C ATOM 793 CG LEU A 468 -2.107 -4.999 13.064 1.00 0.00 C ATOM 794 CD1 LEU A 468 -0.873 -5.268 13.928 1.00 0.00 C ATOM 795 CD2 LEU A 468 -3.287 -4.487 13.892 1.00 0.00 C ATOM 0 H LEU A 468 -3.056 -4.663 9.501 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.670 -3.111 11.971 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -1.161 -4.561 11.195 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -1.173 -3.221 12.324 1.00 0.00 H new ATOM 0 HG LEU A 468 -2.409 -5.952 12.629 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -1.134 -5.957 14.731 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -0.088 -5.708 13.314 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -0.517 -4.331 14.355 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -3.500 -5.191 14.696 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -3.038 -3.515 14.318 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -4.165 -4.389 13.253 1.00 0.00 H new ATOM 807 N ASP A 469 -3.620 -1.312 10.228 1.00 0.00 N ATOM 808 CA ASP A 469 -3.434 -0.088 9.471 1.00 0.00 C ATOM 809 C ASP A 469 -2.397 0.790 10.176 1.00 0.00 C ATOM 810 O ASP A 469 -2.578 1.160 11.336 1.00 0.00 O ATOM 811 CB ASP A 469 -4.739 0.706 9.377 1.00 0.00 C ATOM 812 CG ASP A 469 -4.581 2.163 8.938 1.00 0.00 C ATOM 813 OD1 ASP A 469 -5.169 3.078 9.534 1.00 0.00 O ATOM 814 OD2 ASP A 469 -3.805 2.346 7.924 1.00 0.00 O ATOM 0 H ASP A 469 -4.552 -1.430 10.626 1.00 0.00 H new ATOM 0 HA ASP A 469 -3.104 -0.359 8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -5.404 0.201 8.676 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -5.229 0.687 10.351 1.00 0.00 H new ATOM 820 N GLN A 470 -1.335 1.098 9.448 1.00 0.00 N ATOM 821 CA GLN A 470 -0.270 1.926 9.989 1.00 0.00 C ATOM 822 C GLN A 470 -0.187 3.250 9.226 1.00 0.00 C ATOM 823 O GLN A 470 -0.970 3.494 8.311 1.00 0.00 O ATOM 824 CB GLN A 470 1.070 1.187 9.952 1.00 0.00 C ATOM 825 CG GLN A 470 1.441 0.659 11.340 1.00 0.00 C ATOM 826 CD GLN A 470 1.918 -0.793 11.263 1.00 0.00 C ATOM 827 OE1 GLN A 470 3.103 -1.082 11.207 1.00 0.00 O ATOM 828 NE2 GLN A 470 0.934 -1.688 11.264 1.00 0.00 N ATOM 0 H GLN A 470 -1.188 0.789 8.487 1.00 0.00 H new ATOM 0 HA GLN A 470 -0.499 2.144 11.032 1.00 0.00 H new ATOM 0 HB2 GLN A 470 1.013 0.358 9.246 1.00 0.00 H new ATOM 0 HB3 GLN A 470 1.850 1.858 9.593 1.00 0.00 H new ATOM 0 HG2 GLN A 470 2.225 1.281 11.772 1.00 0.00 H new ATOM 0 HG3 GLN A 470 0.578 0.728 12.002 1.00 0.00 H new ATOM 0 HE21 GLN A 470 -0.037 -1.379 11.313 1.00 0.00 H new ATOM 0 HE22 GLN A 470 1.150 -2.684 11.216 1.00 0.00 H new ATOM 837 N ILE A 471 0.771 4.071 9.633 1.00 0.00 N ATOM 838 CA ILE A 471 0.967 5.363 8.999 1.00 0.00 C ATOM 839 C ILE A 471 1.517 5.156 7.586 1.00 0.00 C ATOM 840 O ILE A 471 2.609 4.619 7.413 1.00 0.00 O ATOM 841 CB ILE A 471 1.844 6.260 9.874 1.00 0.00 C ATOM 842 CG1 ILE A 471 2.865 5.433 10.659 1.00 0.00 C ATOM 843 CG2 ILE A 471 0.988 7.135 10.793 1.00 0.00 C ATOM 844 CD1 ILE A 471 3.635 4.491 9.732 1.00 0.00 C ATOM 0 H ILE A 471 1.419 3.866 10.394 1.00 0.00 H new ATOM 0 HA ILE A 471 0.016 5.886 8.897 1.00 0.00 H new ATOM 0 HB ILE A 471 2.405 6.929 9.222 1.00 0.00 H new ATOM 0 HG12 ILE A 471 3.562 6.098 11.169 1.00 0.00 H new ATOM 0 HG13 ILE A 471 2.355 4.855 11.429 1.00 0.00 H new ATOM 0 HG21 ILE A 471 1.636 7.763 11.404 1.00 0.00 H new ATOM 0 HG22 ILE A 471 0.335 7.766 10.190 1.00 0.00 H new ATOM 0 HG23 ILE A 471 0.383 6.500 11.440 1.00 0.00 H new ATOM 0 HD11 ILE A 471 4.354 3.915 10.314 1.00 0.00 H new ATOM 0 HD12 ILE A 471 2.937 3.812 9.242 1.00 0.00 H new ATOM 0 HD13 ILE A 471 4.163 5.074 8.978 1.00 0.00 H new ATOM 856 N GLY A 472 0.733 5.595 6.612 1.00 0.00 N ATOM 857 CA GLY A 472 1.128 5.464 5.219 1.00 0.00 C ATOM 858 C GLY A 472 1.626 4.049 4.920 1.00 0.00 C ATOM 859 O GLY A 472 2.364 3.837 3.961 1.00 0.00 O ATOM 0 H GLY A 472 -0.172 6.041 6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 472 0.281 5.699 4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 472 1.913 6.185 4.991 1.00 0.00 H new ATOM 863 N GLU A 473 1.202 3.117 5.762 1.00 0.00 N ATOM 864 CA GLU A 473 1.596 1.727 5.600 1.00 0.00 C ATOM 865 C GLU A 473 0.697 0.819 6.442 1.00 0.00 C ATOM 866 O GLU A 473 0.140 1.254 7.450 1.00 0.00 O ATOM 867 CB GLU A 473 3.068 1.529 5.961 1.00 0.00 C ATOM 868 CG GLU A 473 3.249 1.398 7.474 1.00 0.00 C ATOM 869 CD GLU A 473 4.716 1.149 7.831 1.00 0.00 C ATOM 870 OE1 GLU A 473 5.609 1.428 7.018 1.00 0.00 O ATOM 871 OE2 GLU A 473 4.913 0.645 9.004 1.00 0.00 O ATOM 0 H GLU A 473 0.590 3.297 6.558 1.00 0.00 H new ATOM 0 HA GLU A 473 1.474 1.455 4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 473 3.450 0.636 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.653 2.372 5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 473 2.900 2.306 7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 473 2.636 0.578 7.848 1.00 0.00 H new ATOM 879 N PHE A 474 0.585 -0.424 6.000 1.00 0.00 N ATOM 880 CA PHE A 474 -0.236 -1.397 6.701 1.00 0.00 C ATOM 881 C PHE A 474 0.409 -2.783 6.669 1.00 0.00 C ATOM 882 O PHE A 474 1.195 -3.086 5.774 1.00 0.00 O ATOM 883 CB PHE A 474 -1.580 -1.457 5.971 1.00 0.00 C ATOM 884 CG PHE A 474 -1.792 -2.738 5.162 1.00 0.00 C ATOM 885 CD1 PHE A 474 -2.184 -3.880 5.788 1.00 0.00 C ATOM 886 CD2 PHE A 474 -1.589 -2.734 3.817 1.00 0.00 C ATOM 887 CE1 PHE A 474 -2.381 -5.069 5.037 1.00 0.00 C ATOM 888 CE2 PHE A 474 -1.785 -3.924 3.066 1.00 0.00 C ATOM 889 CZ PHE A 474 -2.177 -5.066 3.692 1.00 0.00 C ATOM 0 H PHE A 474 1.049 -0.781 5.165 1.00 0.00 H new ATOM 0 HA PHE A 474 -0.352 -1.103 7.744 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -2.383 -1.364 6.702 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -1.657 -0.600 5.302 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -2.345 -3.883 6.856 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -1.279 -1.827 3.320 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -2.693 -5.976 5.534 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -1.623 -3.922 1.998 1.00 0.00 H new ATOM 0 HZ PHE A 474 -2.326 -5.971 3.121 1.00 0.00 H new ATOM 899 N GLN A 475 0.054 -3.588 7.660 1.00 0.00 N ATOM 900 CA GLN A 475 0.589 -4.935 7.758 1.00 0.00 C ATOM 901 C GLN A 475 -0.472 -5.890 8.309 1.00 0.00 C ATOM 902 O GLN A 475 -1.200 -5.545 9.239 1.00 0.00 O ATOM 903 CB GLN A 475 1.852 -4.962 8.621 1.00 0.00 C ATOM 904 CG GLN A 475 1.515 -5.295 10.076 1.00 0.00 C ATOM 905 CD GLN A 475 1.290 -6.798 10.257 1.00 0.00 C ATOM 906 OE1 GLN A 475 0.078 -7.113 10.700 1.00 0.00 O flip ATOM 907 NE2 GLN A 475 2.162 -7.616 10.012 1.00 0.00 N flip ATOM 0 H GLN A 475 -0.598 -3.333 8.402 1.00 0.00 H new ATOM 0 HA GLN A 475 0.865 -5.268 6.758 1.00 0.00 H new ATOM 0 HB2 GLN A 475 2.550 -5.701 8.227 1.00 0.00 H new ATOM 0 HB3 GLN A 475 2.351 -3.994 8.572 1.00 0.00 H new ATOM 0 HG2 GLN A 475 2.325 -4.964 10.726 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.621 -4.751 10.380 1.00 0.00 H new ATOM 0 HE21 GLN A 475 3.073 -7.305 9.674 1.00 0.00 H new ATOM 0 HE22 GLN A 475 1.980 -8.611 10.145 1.00 0.00 H new ATOM 916 N CYS A 476 -0.526 -7.072 7.713 1.00 0.00 N ATOM 917 CA CYS A 476 -1.487 -8.078 8.133 1.00 0.00 C ATOM 918 C CYS A 476 -0.714 -9.297 8.640 1.00 0.00 C ATOM 919 O CYS A 476 0.092 -9.873 7.910 1.00 0.00 O ATOM 920 CB CYS A 476 -2.453 -8.444 7.004 1.00 0.00 C ATOM 921 SG CYS A 476 -1.653 -9.073 5.482 1.00 0.00 S ATOM 0 H CYS A 476 0.080 -7.356 6.943 1.00 0.00 H new ATOM 0 HA CYS A 476 -2.106 -7.680 8.937 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -3.149 -9.199 7.371 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -3.043 -7.563 6.750 1.00 0.00 H new ATOM 926 N ILE A 477 -0.987 -9.655 9.886 1.00 0.00 N ATOM 927 CA ILE A 477 -0.326 -10.796 10.499 1.00 0.00 C ATOM 928 C ILE A 477 -1.087 -12.073 10.138 1.00 0.00 C ATOM 929 O ILE A 477 -2.207 -12.286 10.601 1.00 0.00 O ATOM 930 CB ILE A 477 -0.172 -10.578 12.007 1.00 0.00 C ATOM 931 CG1 ILE A 477 1.176 -9.931 12.329 1.00 0.00 C ATOM 932 CG2 ILE A 477 -0.379 -11.885 12.773 1.00 0.00 C ATOM 933 CD1 ILE A 477 2.334 -10.772 11.787 1.00 0.00 C ATOM 0 H ILE A 477 -1.657 -9.176 10.488 1.00 0.00 H new ATOM 0 HA ILE A 477 0.686 -10.906 10.110 1.00 0.00 H new ATOM 0 HB ILE A 477 -0.948 -9.887 12.336 1.00 0.00 H new ATOM 0 HG12 ILE A 477 1.215 -8.931 11.897 1.00 0.00 H new ATOM 0 HG13 ILE A 477 1.279 -9.816 13.408 1.00 0.00 H new ATOM 0 HG21 ILE A 477 -0.264 -11.703 13.841 1.00 0.00 H new ATOM 0 HG22 ILE A 477 -1.380 -12.268 12.576 1.00 0.00 H new ATOM 0 HG23 ILE A 477 0.360 -12.618 12.449 1.00 0.00 H new ATOM 0 HD11 ILE A 477 3.280 -10.288 12.030 1.00 0.00 H new ATOM 0 HD12 ILE A 477 2.306 -11.763 12.239 1.00 0.00 H new ATOM 0 HD13 ILE A 477 2.241 -10.864 10.705 1.00 0.00 H new ATOM 945 N CYS A 478 -0.448 -12.890 9.314 1.00 0.00 N ATOM 946 CA CYS A 478 -1.049 -14.142 8.886 1.00 0.00 C ATOM 947 C CYS A 478 -0.297 -15.292 9.557 1.00 0.00 C ATOM 948 O CYS A 478 0.757 -15.083 10.155 1.00 0.00 O ATOM 949 CB CYS A 478 -1.050 -14.276 7.360 1.00 0.00 C ATOM 950 SG CYS A 478 -2.165 -15.570 6.704 1.00 0.00 S ATOM 0 H CYS A 478 0.480 -12.710 8.931 1.00 0.00 H new ATOM 0 HA CYS A 478 -2.095 -14.167 9.190 1.00 0.00 H new ATOM 0 HB2 CYS A 478 -1.334 -13.317 6.925 1.00 0.00 H new ATOM 0 HB3 CYS A 478 -0.034 -14.489 7.027 1.00 0.00 H new ATOM 955 N MET A 479 -0.870 -16.481 9.438 1.00 0.00 N ATOM 956 CA MET A 479 -0.266 -17.663 10.028 1.00 0.00 C ATOM 957 C MET A 479 0.814 -18.243 9.114 1.00 0.00 C ATOM 958 O MET A 479 0.744 -18.095 7.894 1.00 0.00 O ATOM 959 CB MET A 479 -1.348 -18.719 10.274 1.00 0.00 C ATOM 960 CG MET A 479 -2.394 -18.211 11.268 1.00 0.00 C ATOM 961 SD MET A 479 -1.805 -18.429 12.939 1.00 0.00 S ATOM 962 CE MET A 479 -1.348 -16.749 13.329 1.00 0.00 C ATOM 0 H MET A 479 -1.745 -16.651 8.942 1.00 0.00 H new ATOM 0 HA MET A 479 0.199 -17.378 10.972 1.00 0.00 H new ATOM 0 HB2 MET A 479 -1.831 -18.976 9.331 1.00 0.00 H new ATOM 0 HB3 MET A 479 -0.890 -19.631 10.657 1.00 0.00 H new ATOM 0 HG2 MET A 479 -2.603 -17.158 11.082 1.00 0.00 H new ATOM 0 HG3 MET A 479 -3.331 -18.751 11.130 1.00 0.00 H new ATOM 0 HE1 MET A 479 -0.447 -16.750 13.942 1.00 0.00 H new ATOM 0 HE2 MET A 479 -1.159 -16.200 12.407 1.00 0.00 H new ATOM 0 HE3 MET A 479 -2.159 -16.269 13.877 1.00 0.00 H new ATOM 972 N PRO A 480 1.813 -18.907 9.754 1.00 0.00 N ATOM 973 CA PRO A 480 2.908 -19.509 9.010 1.00 0.00 C ATOM 974 C PRO A 480 2.454 -20.792 8.310 1.00 0.00 C ATOM 975 O PRO A 480 3.040 -21.854 8.517 1.00 0.00 O ATOM 976 CB PRO A 480 3.999 -19.747 10.041 1.00 0.00 C ATOM 977 CG PRO A 480 3.311 -19.702 11.394 1.00 0.00 C ATOM 978 CD PRO A 480 1.928 -19.102 11.195 1.00 0.00 C ATOM 0 HA PRO A 480 3.272 -18.871 8.205 1.00 0.00 H new ATOM 0 HB2 PRO A 480 4.484 -20.710 9.881 1.00 0.00 H new ATOM 0 HB3 PRO A 480 4.775 -18.984 9.972 1.00 0.00 H new ATOM 0 HG2 PRO A 480 3.235 -20.704 11.817 1.00 0.00 H new ATOM 0 HG3 PRO A 480 3.890 -19.102 12.097 1.00 0.00 H new ATOM 0 HD2 PRO A 480 1.150 -19.768 11.568 1.00 0.00 H new ATOM 0 HD3 PRO A 480 1.824 -18.159 11.732 1.00 0.00 H new ATOM 986 N GLY A 481 1.417 -20.652 7.500 1.00 0.00 N ATOM 987 CA GLY A 481 0.879 -21.787 6.769 1.00 0.00 C ATOM 988 C GLY A 481 0.301 -21.348 5.422 1.00 0.00 C ATOM 989 O GLY A 481 0.523 -22.004 4.405 1.00 0.00 O ATOM 0 H GLY A 481 0.934 -19.769 7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 481 1.664 -22.526 6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 481 0.103 -22.271 7.362 1.00 0.00 H new ATOM 993 N TYR A 482 -0.427 -20.243 5.458 1.00 0.00 N ATOM 994 CA TYR A 482 -1.037 -19.708 4.252 1.00 0.00 C ATOM 995 C TYR A 482 -0.202 -18.563 3.676 1.00 0.00 C ATOM 996 O TYR A 482 0.696 -18.050 4.341 1.00 0.00 O ATOM 997 CB TYR A 482 -2.403 -19.164 4.676 1.00 0.00 C ATOM 998 CG TYR A 482 -3.520 -20.211 4.665 1.00 0.00 C ATOM 999 CD1 TYR A 482 -3.209 -21.552 4.568 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -4.838 -19.813 4.754 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -4.260 -22.535 4.557 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -5.889 -20.796 4.745 1.00 0.00 C ATOM 1003 CZ TYR A 482 -5.548 -22.110 4.646 1.00 0.00 C ATOM 1004 OH TYR A 482 -6.540 -23.039 4.636 1.00 0.00 O ATOM 0 H TYR A 482 -0.609 -19.702 6.304 1.00 0.00 H new ATOM 0 HA TYR A 482 -1.113 -20.480 3.486 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -2.321 -18.746 5.679 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -2.679 -18.346 4.011 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -2.177 -21.864 4.500 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -5.081 -18.763 4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -4.030 -23.587 4.480 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -6.925 -20.498 4.815 1.00 0.00 H new ATOM 0 HH TYR A 482 -7.409 -22.591 4.707 1.00 0.00 H new ATOM 1014 N GLU A 483 -0.529 -18.197 2.445 1.00 0.00 N ATOM 1015 CA GLU A 483 0.180 -17.122 1.773 1.00 0.00 C ATOM 1016 C GLU A 483 -0.684 -16.535 0.653 1.00 0.00 C ATOM 1017 O GLU A 483 -1.795 -17.002 0.414 1.00 0.00 O ATOM 1018 CB GLU A 483 1.525 -17.607 1.228 1.00 0.00 C ATOM 1019 CG GLU A 483 2.584 -16.506 1.317 1.00 0.00 C ATOM 1020 CD GLU A 483 3.317 -16.343 -0.016 1.00 0.00 C ATOM 1021 OE1 GLU A 483 2.673 -16.176 -1.062 1.00 0.00 O ATOM 1022 OE2 GLU A 483 4.604 -16.393 0.061 1.00 0.00 O ATOM 0 H GLU A 483 -1.275 -18.625 1.896 1.00 0.00 H new ATOM 0 HA GLU A 483 0.382 -16.337 2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 483 1.855 -18.480 1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 483 1.409 -17.921 0.191 1.00 0.00 H new ATOM 0 HG2 GLU A 483 2.112 -15.564 1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 483 3.300 -16.747 2.103 1.00 0.00 H new ATOM 1030 N GLY A 484 -0.138 -15.520 -0.001 1.00 0.00 N ATOM 1031 CA GLY A 484 -0.846 -14.865 -1.088 1.00 0.00 C ATOM 1032 C GLY A 484 -1.271 -13.450 -0.691 1.00 0.00 C ATOM 1033 O GLY A 484 -0.920 -12.971 0.386 1.00 0.00 O ATOM 0 H GLY A 484 0.785 -15.136 0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 484 -0.207 -14.823 -1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -1.725 -15.450 -1.359 1.00 0.00 H new ATOM 1037 N VAL A 485 -2.024 -12.821 -1.583 1.00 0.00 N ATOM 1038 CA VAL A 485 -2.501 -11.470 -1.340 1.00 0.00 C ATOM 1039 C VAL A 485 -3.550 -11.498 -0.226 1.00 0.00 C ATOM 1040 O VAL A 485 -3.603 -10.592 0.605 1.00 0.00 O ATOM 1041 CB VAL A 485 -3.024 -10.858 -2.639 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -4.554 -10.857 -2.669 1.00 0.00 C ATOM 1043 CG2 VAL A 485 -2.472 -9.445 -2.842 1.00 0.00 C ATOM 0 H VAL A 485 -2.315 -13.222 -2.474 1.00 0.00 H new ATOM 0 HA VAL A 485 -1.685 -10.831 -1.002 1.00 0.00 H new ATOM 0 HB VAL A 485 -2.673 -11.477 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -4.899 -10.416 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -4.920 -11.881 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -4.934 -10.273 -1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 485 -2.860 -9.033 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 485 -2.779 -8.812 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 485 -1.384 -9.483 -2.888 1.00 0.00 H new ATOM 1053 N HIS A 486 -4.359 -12.547 -0.246 1.00 0.00 N ATOM 1054 CA HIS A 486 -5.404 -12.705 0.752 1.00 0.00 C ATOM 1055 C HIS A 486 -5.027 -13.831 1.716 1.00 0.00 C ATOM 1056 O HIS A 486 -5.872 -14.322 2.463 1.00 0.00 O ATOM 1057 CB HIS A 486 -6.763 -12.925 0.085 1.00 0.00 C ATOM 1058 CG HIS A 486 -7.255 -11.741 -0.715 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -6.862 -10.435 -0.705 1.00 0.00 N flip ATOM 1060 CD2 HIS A 486 -8.267 -11.838 -1.651 1.00 0.00 C flip ATOM 1061 CE1 HIS A 486 -7.595 -9.770 -1.590 1.00 0.00 C flip ATOM 1062 NE2 HIS A 486 -8.467 -10.638 -2.178 1.00 0.00 N flip ATOM 0 H HIS A 486 -4.312 -13.296 -0.937 1.00 0.00 H new ATOM 0 HA HIS A 486 -5.495 -11.789 1.336 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -6.697 -13.792 -0.572 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -7.499 -13.162 0.853 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -8.804 -12.739 -1.909 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -7.514 -8.715 -1.808 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -9.152 -10.405 -2.897 1.00 0.00 H new ATOM 1070 N CYS A 487 -3.758 -14.208 1.668 1.00 0.00 N ATOM 1071 CA CYS A 487 -3.260 -15.267 2.528 1.00 0.00 C ATOM 1072 C CYS A 487 -4.297 -16.391 2.559 1.00 0.00 C ATOM 1073 O CYS A 487 -4.590 -16.941 3.619 1.00 0.00 O ATOM 1074 CB CYS A 487 -2.935 -14.751 3.932 1.00 0.00 C ATOM 1075 SG CYS A 487 -1.597 -15.655 4.793 1.00 0.00 S ATOM 0 H CYS A 487 -3.060 -13.799 1.047 1.00 0.00 H new ATOM 0 HA CYS A 487 -2.322 -15.652 2.127 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -2.657 -13.699 3.862 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -3.838 -14.802 4.540 1.00 0.00 H new ATOM 1080 N GLU A 488 -4.825 -16.697 1.383 1.00 0.00 N ATOM 1081 CA GLU A 488 -5.825 -17.745 1.261 1.00 0.00 C ATOM 1082 C GLU A 488 -5.283 -18.898 0.413 1.00 0.00 C ATOM 1083 O GLU A 488 -5.980 -19.887 0.189 1.00 0.00 O ATOM 1084 CB GLU A 488 -7.126 -17.196 0.673 1.00 0.00 C ATOM 1085 CG GLU A 488 -8.286 -18.165 0.910 1.00 0.00 C ATOM 1086 CD GLU A 488 -9.283 -18.119 -0.250 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -9.671 -17.028 -0.691 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -9.656 -19.272 -0.694 1.00 0.00 O ATOM 0 H GLU A 488 -4.579 -16.238 0.506 1.00 0.00 H new ATOM 0 HA GLU A 488 -6.048 -18.126 2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -7.355 -16.231 1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -7.003 -17.025 -0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -7.901 -19.178 1.024 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -8.793 -17.911 1.841 1.00 0.00 H new ATOM 1096 N VAL A 489 -4.048 -18.732 -0.035 1.00 0.00 N ATOM 1097 CA VAL A 489 -3.407 -19.746 -0.854 1.00 0.00 C ATOM 1098 C VAL A 489 -2.508 -20.616 0.029 1.00 0.00 C ATOM 1099 O VAL A 489 -1.670 -20.099 0.767 1.00 0.00 O ATOM 1100 CB VAL A 489 -2.650 -19.086 -2.008 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -3.196 -17.684 -2.290 1.00 0.00 C ATOM 1102 CG2 VAL A 489 -1.147 -19.044 -1.726 1.00 0.00 C ATOM 0 H VAL A 489 -3.474 -17.910 0.154 1.00 0.00 H new ATOM 0 HA VAL A 489 -4.154 -20.400 -1.304 1.00 0.00 H new ATOM 0 HB VAL A 489 -2.805 -19.692 -2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -2.641 -17.236 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -4.251 -17.751 -2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -3.086 -17.065 -1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 489 -0.633 -18.570 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 489 -0.963 -18.473 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 489 -0.772 -20.060 -1.598 1.00 0.00 H new ATOM 1112 N ASN A 490 -2.715 -21.920 -0.075 1.00 0.00 N ATOM 1113 CA ASN A 490 -1.935 -22.865 0.706 1.00 0.00 C ATOM 1114 C ASN A 490 -0.521 -22.952 0.128 1.00 0.00 C ATOM 1115 O ASN A 490 -0.347 -23.238 -1.056 1.00 0.00 O ATOM 1116 CB ASN A 490 -2.553 -24.264 0.656 1.00 0.00 C ATOM 1117 CG ASN A 490 -1.748 -25.251 1.503 1.00 0.00 C ATOM 1118 OD1 ASN A 490 -0.533 -25.187 1.589 1.00 0.00 O ATOM 1119 ND2 ASN A 490 -2.491 -26.163 2.124 1.00 0.00 N ATOM 0 H ASN A 490 -3.411 -22.345 -0.688 1.00 0.00 H new ATOM 0 HA ASN A 490 -1.917 -22.516 1.738 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -3.581 -24.224 1.017 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -2.591 -24.612 -0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 490 -2.047 -26.866 2.716 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -3.504 -26.160 2.009 1.00 0.00 H new ATOM 1126 N THR A 491 0.453 -22.701 0.991 1.00 0.00 N ATOM 1127 CA THR A 491 1.847 -22.748 0.580 1.00 0.00 C ATOM 1128 C THR A 491 2.191 -24.128 0.016 1.00 0.00 C ATOM 1129 O THR A 491 1.915 -25.146 0.648 1.00 0.00 O ATOM 1130 CB THR A 491 2.707 -22.350 1.781 1.00 0.00 C ATOM 1131 OG1 THR A 491 2.426 -20.966 1.967 1.00 0.00 O ATOM 1132 CG2 THR A 491 4.204 -22.388 1.469 1.00 0.00 C ATOM 0 H THR A 491 0.305 -22.465 1.972 1.00 0.00 H new ATOM 0 HA THR A 491 2.045 -22.044 -0.228 1.00 0.00 H new ATOM 0 HB THR A 491 2.494 -23.018 2.616 1.00 0.00 H new ATOM 0 HG1 THR A 491 2.942 -20.627 2.728 1.00 0.00 H new ATOM 0 HG21 THR A 491 4.768 -22.097 2.355 1.00 0.00 H new ATOM 0 HG22 THR A 491 4.489 -23.398 1.173 1.00 0.00 H new ATOM 0 HG23 THR A 491 4.424 -21.696 0.656 1.00 0.00 H new ATOM 1140 N ASP A 492 2.788 -24.117 -1.166 1.00 0.00 N ATOM 1141 CA ASP A 492 3.172 -25.355 -1.822 1.00 0.00 C ATOM 1142 C ASP A 492 4.670 -25.593 -1.614 1.00 0.00 C ATOM 1143 O ASP A 492 5.472 -24.666 -1.721 1.00 0.00 O ATOM 1144 CB ASP A 492 2.911 -25.284 -3.327 1.00 0.00 C ATOM 1145 CG ASP A 492 2.662 -26.635 -4.004 1.00 0.00 C ATOM 1146 OD1 ASP A 492 1.566 -26.897 -4.521 1.00 0.00 O ATOM 1147 OD2 ASP A 492 3.665 -27.446 -3.986 1.00 0.00 O ATOM 0 H ASP A 492 3.015 -23.270 -1.687 1.00 0.00 H new ATOM 0 HA ASP A 492 2.581 -26.163 -1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 492 2.047 -24.642 -3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 492 3.765 -24.806 -3.807 1.00 0.00 H new ATOM 1153 N GLU A 493 5.001 -26.841 -1.318 1.00 0.00 N ATOM 1154 CA GLU A 493 6.388 -27.214 -1.094 1.00 0.00 C ATOM 1155 C GLU A 493 6.776 -28.388 -1.994 1.00 0.00 C ATOM 1156 O GLU A 493 7.858 -28.956 -1.851 1.00 0.00 O ATOM 1157 CB GLU A 493 6.634 -27.549 0.380 1.00 0.00 C ATOM 1158 CG GLU A 493 5.603 -28.556 0.893 1.00 0.00 C ATOM 1159 CD GLU A 493 4.238 -27.891 1.088 1.00 0.00 C ATOM 1160 OE1 GLU A 493 3.369 -27.993 0.209 1.00 0.00 O ATOM 1161 OE2 GLU A 493 4.096 -27.253 2.199 1.00 0.00 O ATOM 0 H GLU A 493 4.333 -27.607 -1.228 1.00 0.00 H new ATOM 0 HA GLU A 493 7.018 -26.362 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 493 7.638 -27.957 0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 493 6.586 -26.638 0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 493 5.512 -29.381 0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 493 5.943 -28.981 1.837 1.00 0.00 H new ATOM 1169 N CYS A 494 5.869 -28.718 -2.903 1.00 0.00 N ATOM 1170 CA CYS A 494 6.103 -29.816 -3.827 1.00 0.00 C ATOM 1171 C CYS A 494 5.742 -29.340 -5.237 1.00 0.00 C ATOM 1172 O CYS A 494 5.170 -30.094 -6.022 1.00 0.00 O ATOM 1173 CB CYS A 494 5.318 -31.068 -3.430 1.00 0.00 C ATOM 1174 SG CYS A 494 3.536 -31.019 -3.842 1.00 0.00 S ATOM 0 H CYS A 494 4.973 -28.245 -3.019 1.00 0.00 H new ATOM 0 HA CYS A 494 7.154 -30.102 -3.797 1.00 0.00 H new ATOM 0 HB2 CYS A 494 5.766 -31.932 -3.921 1.00 0.00 H new ATOM 0 HB3 CYS A 494 5.424 -31.221 -2.356 1.00 0.00 H new ATOM 1179 N ALA A 495 6.094 -28.094 -5.514 1.00 0.00 N ATOM 1180 CA ALA A 495 5.815 -27.508 -6.814 1.00 0.00 C ATOM 1181 C ALA A 495 6.646 -28.228 -7.879 1.00 0.00 C ATOM 1182 O ALA A 495 6.294 -28.217 -9.058 1.00 0.00 O ATOM 1183 CB ALA A 495 6.099 -26.006 -6.770 1.00 0.00 C ATOM 0 H ALA A 495 6.570 -27.473 -4.860 1.00 0.00 H new ATOM 0 HA ALA A 495 4.764 -27.632 -7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 495 5.889 -25.567 -7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 495 5.464 -25.538 -6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 495 7.146 -25.841 -6.515 1.00 0.00 H new ATOM 1189 N SER A 496 7.735 -28.833 -7.427 1.00 0.00 N ATOM 1190 CA SER A 496 8.618 -29.555 -8.327 1.00 0.00 C ATOM 1191 C SER A 496 8.993 -30.908 -7.718 1.00 0.00 C ATOM 1192 O SER A 496 10.174 -31.232 -7.598 1.00 0.00 O ATOM 1193 CB SER A 496 9.878 -28.743 -8.631 1.00 0.00 C ATOM 1194 OG SER A 496 10.401 -29.032 -9.923 1.00 0.00 O ATOM 0 H SER A 496 8.026 -28.838 -6.449 1.00 0.00 H new ATOM 0 HA SER A 496 8.089 -29.720 -9.266 1.00 0.00 H new ATOM 0 HB2 SER A 496 9.649 -27.680 -8.562 1.00 0.00 H new ATOM 0 HB3 SER A 496 10.636 -28.955 -7.877 1.00 0.00 H new ATOM 0 HG SER A 496 11.204 -28.492 -10.079 1.00 0.00 H new ATOM 1200 N SER A 497 7.967 -31.660 -7.349 1.00 0.00 N ATOM 1201 CA SER A 497 8.174 -32.970 -6.756 1.00 0.00 C ATOM 1202 C SER A 497 6.855 -33.743 -6.719 1.00 0.00 C ATOM 1203 O SER A 497 6.287 -33.957 -5.649 1.00 0.00 O ATOM 1204 CB SER A 497 8.758 -32.850 -5.347 1.00 0.00 C ATOM 1205 OG SER A 497 10.183 -32.895 -5.353 1.00 0.00 O ATOM 0 H SER A 497 6.989 -31.387 -7.449 1.00 0.00 H new ATOM 0 HA SER A 497 8.889 -33.515 -7.372 1.00 0.00 H new ATOM 0 HB2 SER A 497 8.427 -31.915 -4.896 1.00 0.00 H new ATOM 0 HB3 SER A 497 8.373 -33.658 -4.725 1.00 0.00 H new ATOM 0 HG SER A 497 10.524 -32.357 -6.098 1.00 0.00 H new ATOM 1211 N PRO A 498 6.392 -34.149 -7.932 1.00 0.00 N ATOM 1212 CA PRO A 498 5.150 -34.893 -8.049 1.00 0.00 C ATOM 1213 C PRO A 498 5.334 -36.342 -7.594 1.00 0.00 C ATOM 1214 O PRO A 498 4.394 -37.135 -7.640 1.00 0.00 O ATOM 1215 CB PRO A 498 4.756 -34.775 -9.512 1.00 0.00 C ATOM 1216 CG PRO A 498 6.020 -34.368 -10.252 1.00 0.00 C ATOM 1217 CD PRO A 498 7.038 -33.913 -9.220 1.00 0.00 C ATOM 0 HA PRO A 498 4.362 -34.500 -7.406 1.00 0.00 H new ATOM 0 HB2 PRO A 498 4.370 -35.722 -9.890 1.00 0.00 H new ATOM 0 HB3 PRO A 498 3.969 -34.033 -9.646 1.00 0.00 H new ATOM 0 HG2 PRO A 498 6.411 -35.206 -10.830 1.00 0.00 H new ATOM 0 HG3 PRO A 498 5.807 -33.565 -10.958 1.00 0.00 H new ATOM 0 HD2 PRO A 498 7.967 -34.476 -9.306 1.00 0.00 H new ATOM 0 HD3 PRO A 498 7.290 -32.860 -9.350 1.00 0.00 H new ATOM 1225 N CYS A 499 6.550 -36.645 -7.167 1.00 0.00 N ATOM 1226 CA CYS A 499 6.870 -37.986 -6.705 1.00 0.00 C ATOM 1227 C CYS A 499 6.809 -38.933 -7.904 1.00 0.00 C ATOM 1228 O CYS A 499 7.843 -39.318 -8.450 1.00 0.00 O ATOM 1229 CB CYS A 499 5.938 -38.431 -5.575 1.00 0.00 C ATOM 1230 SG CYS A 499 6.707 -38.462 -3.914 1.00 0.00 S ATOM 0 H CYS A 499 7.327 -35.985 -7.131 1.00 0.00 H new ATOM 0 HA CYS A 499 7.875 -38.000 -6.284 1.00 0.00 H new ATOM 0 HB2 CYS A 499 5.077 -37.763 -5.549 1.00 0.00 H new ATOM 0 HB3 CYS A 499 5.562 -39.428 -5.805 1.00 0.00 H new ATOM 1235 N LEU A 500 5.588 -39.284 -8.277 1.00 0.00 N ATOM 1236 CA LEU A 500 5.379 -40.181 -9.402 1.00 0.00 C ATOM 1237 C LEU A 500 6.032 -41.531 -9.101 1.00 0.00 C ATOM 1238 O LEU A 500 7.113 -41.584 -8.517 1.00 0.00 O ATOM 1239 CB LEU A 500 5.868 -39.536 -10.701 1.00 0.00 C ATOM 1240 CG LEU A 500 4.932 -38.505 -11.332 1.00 0.00 C ATOM 1241 CD1 LEU A 500 5.390 -38.141 -12.745 1.00 0.00 C ATOM 1242 CD2 LEU A 500 3.482 -38.994 -11.309 1.00 0.00 C ATOM 0 H LEU A 500 4.733 -38.964 -7.821 1.00 0.00 H new ATOM 0 HA LEU A 500 4.315 -40.367 -9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 500 6.827 -39.055 -10.506 1.00 0.00 H new ATOM 0 HB3 LEU A 500 6.050 -40.326 -11.430 1.00 0.00 H new ATOM 0 HG LEU A 500 4.975 -37.594 -10.734 1.00 0.00 H new ATOM 0 HD11 LEU A 500 4.707 -37.406 -13.171 1.00 0.00 H new ATOM 0 HD12 LEU A 500 6.395 -37.722 -12.705 1.00 0.00 H new ATOM 0 HD13 LEU A 500 5.395 -39.036 -13.368 1.00 0.00 H new ATOM 0 HD21 LEU A 500 2.837 -38.242 -11.764 1.00 0.00 H new ATOM 0 HD22 LEU A 500 3.403 -39.926 -11.869 1.00 0.00 H new ATOM 0 HD23 LEU A 500 3.171 -39.163 -10.278 1.00 0.00 H new ATOM 1254 N HIS A 501 5.348 -42.588 -9.513 1.00 0.00 N ATOM 1255 CA HIS A 501 5.850 -43.935 -9.294 1.00 0.00 C ATOM 1256 C HIS A 501 5.796 -44.266 -7.802 1.00 0.00 C ATOM 1257 O HIS A 501 5.144 -45.229 -7.399 1.00 0.00 O ATOM 1258 CB HIS A 501 7.252 -44.096 -9.888 1.00 0.00 C ATOM 1259 CG HIS A 501 7.264 -44.643 -11.294 1.00 0.00 C ATOM 1260 ND1 HIS A 501 7.617 -45.948 -11.588 1.00 0.00 N ATOM 1261 CD2 HIS A 501 6.961 -44.049 -12.485 1.00 0.00 C ATOM 1262 CE1 HIS A 501 7.528 -46.122 -12.899 1.00 0.00 C ATOM 1263 NE2 HIS A 501 7.123 -44.942 -13.453 1.00 0.00 N ATOM 0 H HIS A 501 4.451 -42.540 -9.997 1.00 0.00 H new ATOM 0 HA HIS A 501 5.215 -44.653 -9.813 1.00 0.00 H new ATOM 0 HB2 HIS A 501 7.751 -43.127 -9.882 1.00 0.00 H new ATOM 0 HB3 HIS A 501 7.833 -44.758 -9.247 1.00 0.00 H new ATOM 0 HD2 HIS A 501 6.643 -43.025 -12.617 1.00 0.00 H new ATOM 0 HE1 HIS A 501 7.739 -47.036 -13.434 1.00 0.00 H new ATOM 0 HE2 HIS A 501 6.970 -44.774 -14.447 1.00 0.00 H new ATOM 1271 N ASN A 502 6.490 -43.450 -7.023 1.00 0.00 N ATOM 1272 CA ASN A 502 6.529 -43.646 -5.583 1.00 0.00 C ATOM 1273 C ASN A 502 5.206 -43.178 -4.973 1.00 0.00 C ATOM 1274 O ASN A 502 4.854 -43.577 -3.863 1.00 0.00 O ATOM 1275 CB ASN A 502 7.657 -42.831 -4.947 1.00 0.00 C ATOM 1276 CG ASN A 502 8.611 -43.733 -4.162 1.00 0.00 C ATOM 1277 OD1 ASN A 502 8.406 -44.033 -2.998 1.00 0.00 O ATOM 1278 ND2 ASN A 502 9.662 -44.150 -4.863 1.00 0.00 N ATOM 0 H ASN A 502 7.029 -42.653 -7.360 1.00 0.00 H new ATOM 0 HA ASN A 502 6.697 -44.706 -5.391 1.00 0.00 H new ATOM 0 HB2 ASN A 502 8.209 -42.300 -5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 502 7.235 -42.077 -4.283 1.00 0.00 H new ATOM 0 HD21 ASN A 502 10.356 -44.758 -4.429 1.00 0.00 H new ATOM 0 HD22 ASN A 502 9.774 -43.861 -5.835 1.00 0.00 H new ATOM 1285 N GLY A 503 4.508 -42.340 -5.724 1.00 0.00 N ATOM 1286 CA GLY A 503 3.232 -41.813 -5.272 1.00 0.00 C ATOM 1287 C GLY A 503 2.991 -40.408 -5.827 1.00 0.00 C ATOM 1288 O GLY A 503 3.564 -40.033 -6.849 1.00 0.00 O ATOM 0 H GLY A 503 4.802 -42.012 -6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 503 2.428 -42.476 -5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 503 3.211 -41.786 -4.183 1.00 0.00 H new ATOM 1292 N ARG A 504 2.140 -39.669 -5.131 1.00 0.00 N ATOM 1293 CA ARG A 504 1.813 -38.313 -5.543 1.00 0.00 C ATOM 1294 C ARG A 504 1.972 -37.349 -4.365 1.00 0.00 C ATOM 1295 O ARG A 504 1.687 -37.706 -3.223 1.00 0.00 O ATOM 1296 CB ARG A 504 0.382 -38.229 -6.076 1.00 0.00 C ATOM 1297 CG ARG A 504 0.055 -36.808 -6.543 1.00 0.00 C ATOM 1298 CD ARG A 504 -0.815 -36.833 -7.802 1.00 0.00 C ATOM 1299 NE ARG A 504 -0.315 -35.841 -8.780 1.00 0.00 N ATOM 1300 CZ ARG A 504 -0.906 -35.586 -9.968 1.00 0.00 C ATOM 1301 NH1 ARG A 504 -2.023 -36.249 -10.333 1.00 0.00 N ATOM 1302 NH2 ARG A 504 -0.373 -34.678 -10.765 1.00 0.00 N ATOM 0 H ARG A 504 1.666 -39.983 -4.284 1.00 0.00 H new ATOM 0 HA ARG A 504 2.501 -38.033 -6.341 1.00 0.00 H new ATOM 0 HB2 ARG A 504 0.257 -38.926 -6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -0.319 -38.530 -5.297 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -0.463 -36.270 -5.749 1.00 0.00 H new ATOM 0 HG3 ARG A 504 0.979 -36.266 -6.745 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -0.803 -37.830 -8.243 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -1.850 -36.612 -7.543 1.00 0.00 H new ATOM 0 HE ARG A 504 0.528 -35.318 -8.543 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -2.427 -36.948 -9.710 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -2.463 -36.051 -11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 504 0.472 -34.182 -10.480 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -0.806 -34.473 -11.666 1.00 0.00 H new ATOM 1315 N CYS A 505 2.424 -36.145 -4.684 1.00 0.00 N ATOM 1316 CA CYS A 505 2.623 -35.127 -3.667 1.00 0.00 C ATOM 1317 C CYS A 505 1.278 -34.451 -3.394 1.00 0.00 C ATOM 1318 O CYS A 505 0.593 -34.027 -4.324 1.00 0.00 O ATOM 1319 CB CYS A 505 3.696 -34.117 -4.080 1.00 0.00 C ATOM 1320 SG CYS A 505 3.061 -32.633 -4.942 1.00 0.00 S ATOM 0 H CYS A 505 2.658 -35.852 -5.633 1.00 0.00 H new ATOM 0 HA CYS A 505 2.988 -35.591 -2.751 1.00 0.00 H new ATOM 0 HB2 CYS A 505 4.238 -33.799 -3.189 1.00 0.00 H new ATOM 0 HB3 CYS A 505 4.415 -34.617 -4.729 1.00 0.00 H new ATOM 1325 N LEU A 506 0.939 -34.372 -2.116 1.00 0.00 N ATOM 1326 CA LEU A 506 -0.312 -33.756 -1.710 1.00 0.00 C ATOM 1327 C LEU A 506 -0.013 -32.494 -0.897 1.00 0.00 C ATOM 1328 O LEU A 506 0.833 -32.511 -0.006 1.00 0.00 O ATOM 1329 CB LEU A 506 -1.193 -34.766 -0.974 1.00 0.00 C ATOM 1330 CG LEU A 506 -2.510 -35.135 -1.662 1.00 0.00 C ATOM 1331 CD1 LEU A 506 -2.256 -35.981 -2.912 1.00 0.00 C ATOM 1332 CD2 LEU A 506 -3.464 -35.825 -0.688 1.00 0.00 C ATOM 0 H LEU A 506 1.510 -34.725 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 506 -0.885 -33.446 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -0.617 -35.679 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -1.422 -34.367 0.014 1.00 0.00 H new ATOM 0 HG LEU A 506 -2.995 -34.215 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -3.207 -36.230 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 506 -1.641 -35.418 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -1.739 -36.899 -2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -4.391 -36.076 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -3.001 -36.736 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -3.681 -35.156 0.144 1.00 0.00 H new ATOM 1344 N ASP A 507 -0.726 -31.429 -1.234 1.00 0.00 N ATOM 1345 CA ASP A 507 -0.548 -30.161 -0.548 1.00 0.00 C ATOM 1346 C ASP A 507 -1.482 -30.106 0.662 1.00 0.00 C ATOM 1347 O ASP A 507 -2.679 -29.860 0.516 1.00 0.00 O ATOM 1348 CB ASP A 507 -0.890 -28.984 -1.464 1.00 0.00 C ATOM 1349 CG ASP A 507 -0.662 -27.601 -0.852 1.00 0.00 C ATOM 1350 OD1 ASP A 507 -1.617 -26.894 -0.498 1.00 0.00 O ATOM 1351 OD2 ASP A 507 0.574 -27.250 -0.742 1.00 0.00 O ATOM 0 H ASP A 507 -1.428 -31.419 -1.974 1.00 0.00 H new ATOM 0 HA ASP A 507 0.496 -30.087 -0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 507 -0.294 -29.065 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -1.936 -29.066 -1.760 1.00 0.00 H new ATOM 1357 N LYS A 508 -0.902 -30.337 1.830 1.00 0.00 N ATOM 1358 CA LYS A 508 -1.670 -30.317 3.065 1.00 0.00 C ATOM 1359 C LYS A 508 -1.554 -28.934 3.708 1.00 0.00 C ATOM 1360 O LYS A 508 -0.679 -28.148 3.348 1.00 0.00 O ATOM 1361 CB LYS A 508 -1.237 -31.462 3.983 1.00 0.00 C ATOM 1362 CG LYS A 508 -1.071 -32.763 3.196 1.00 0.00 C ATOM 1363 CD LYS A 508 -1.860 -33.901 3.846 1.00 0.00 C ATOM 1364 CE LYS A 508 -3.027 -34.335 2.958 1.00 0.00 C ATOM 1365 NZ LYS A 508 -4.227 -33.516 3.239 1.00 0.00 N ATOM 0 H LYS A 508 0.091 -30.539 1.948 1.00 0.00 H new ATOM 0 HA LYS A 508 -2.727 -30.486 2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -0.297 -31.206 4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -1.978 -31.601 4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -1.412 -32.618 2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -0.015 -33.030 3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -1.200 -34.750 4.026 1.00 0.00 H new ATOM 0 HD3 LYS A 508 -2.237 -33.579 4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -2.749 -34.235 1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -3.250 -35.388 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -5.009 -33.825 2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -4.501 -33.632 4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -4.016 -32.515 3.052 1.00 0.00 H new ATOM 1378 N ILE A 509 -2.448 -28.679 4.652 1.00 0.00 N ATOM 1379 CA ILE A 509 -2.457 -27.406 5.350 1.00 0.00 C ATOM 1380 C ILE A 509 -1.442 -27.447 6.495 1.00 0.00 C ATOM 1381 O ILE A 509 -1.819 -27.408 7.665 1.00 0.00 O ATOM 1382 CB ILE A 509 -3.876 -27.050 5.800 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -4.870 -27.197 4.645 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -3.922 -25.653 6.422 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -6.159 -27.874 5.114 1.00 0.00 C ATOM 0 H ILE A 509 -3.172 -29.333 4.950 1.00 0.00 H new ATOM 0 HA ILE A 509 -2.149 -26.604 4.679 1.00 0.00 H new ATOM 0 HB ILE A 509 -4.175 -27.756 6.575 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -5.100 -26.215 4.232 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -4.418 -27.782 3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -4.942 -25.426 6.733 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -3.263 -25.619 7.289 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -3.594 -24.917 5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -6.848 -27.966 4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -5.928 -28.865 5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -6.621 -27.274 5.898 1.00 0.00 H new ATOM 1397 N ASN A 510 -0.175 -27.528 6.117 1.00 0.00 N ATOM 1398 CA ASN A 510 0.897 -27.577 7.096 1.00 0.00 C ATOM 1399 C ASN A 510 2.160 -28.135 6.438 1.00 0.00 C ATOM 1400 O ASN A 510 3.264 -27.663 6.705 1.00 0.00 O ATOM 1401 CB ASN A 510 0.531 -28.491 8.267 1.00 0.00 C ATOM 1402 CG ASN A 510 1.781 -28.918 9.040 1.00 0.00 C ATOM 1403 OD1 ASN A 510 2.748 -28.185 9.160 1.00 0.00 O ATOM 1404 ND2 ASN A 510 1.706 -30.143 9.554 1.00 0.00 N ATOM 0 H ASN A 510 0.133 -27.561 5.145 1.00 0.00 H new ATOM 0 HA ASN A 510 1.062 -26.565 7.465 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -0.156 -27.973 8.936 1.00 0.00 H new ATOM 0 HB3 ASN A 510 0.010 -29.373 7.895 1.00 0.00 H new ATOM 0 HD21 ASN A 510 2.489 -30.521 10.087 1.00 0.00 H new ATOM 0 HD22 ASN A 510 0.865 -30.704 9.415 1.00 0.00 H new ATOM 1411 N GLU A 511 1.955 -29.131 5.588 1.00 0.00 N ATOM 1412 CA GLU A 511 3.063 -29.758 4.888 1.00 0.00 C ATOM 1413 C GLU A 511 2.553 -30.535 3.674 1.00 0.00 C ATOM 1414 O GLU A 511 1.386 -30.418 3.302 1.00 0.00 O ATOM 1415 CB GLU A 511 3.858 -30.669 5.826 1.00 0.00 C ATOM 1416 CG GLU A 511 5.202 -30.037 6.195 1.00 0.00 C ATOM 1417 CD GLU A 511 5.670 -30.509 7.573 1.00 0.00 C ATOM 1418 OE1 GLU A 511 5.289 -31.602 8.015 1.00 0.00 O ATOM 1419 OE2 GLU A 511 6.458 -29.695 8.189 1.00 0.00 O ATOM 0 H GLU A 511 1.038 -29.519 5.368 1.00 0.00 H new ATOM 0 HA GLU A 511 3.735 -28.975 4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 511 3.280 -30.858 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 511 4.025 -31.634 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 511 5.949 -30.297 5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 511 5.111 -28.951 6.190 1.00 0.00 H new ATOM 1427 N PHE A 512 3.453 -31.310 3.086 1.00 0.00 N ATOM 1428 CA PHE A 512 3.106 -32.105 1.920 1.00 0.00 C ATOM 1429 C PHE A 512 3.369 -33.591 2.172 1.00 0.00 C ATOM 1430 O PHE A 512 4.453 -33.967 2.616 1.00 0.00 O ATOM 1431 CB PHE A 512 4.002 -31.629 0.773 1.00 0.00 C ATOM 1432 CG PHE A 512 5.431 -32.174 0.832 1.00 0.00 C ATOM 1433 CD1 PHE A 512 6.313 -31.675 1.737 1.00 0.00 C ATOM 1434 CD2 PHE A 512 5.818 -33.160 -0.023 1.00 0.00 C ATOM 1435 CE1 PHE A 512 7.639 -32.181 1.791 1.00 0.00 C ATOM 1436 CE2 PHE A 512 7.142 -33.666 0.031 1.00 0.00 C ATOM 1437 CZ PHE A 512 8.026 -33.166 0.937 1.00 0.00 C ATOM 0 H PHE A 512 4.421 -31.404 3.395 1.00 0.00 H new ATOM 0 HA PHE A 512 2.048 -31.985 1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 512 3.550 -31.924 -0.174 1.00 0.00 H new ATOM 0 HB3 PHE A 512 4.039 -30.540 0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 512 6.006 -30.893 2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 512 5.117 -33.557 -0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 512 8.340 -31.784 2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 512 7.449 -34.448 -0.647 1.00 0.00 H new ATOM 0 HZ PHE A 512 9.034 -33.551 0.978 1.00 0.00 H new ATOM 1447 N GLN A 513 2.359 -34.395 1.879 1.00 0.00 N ATOM 1448 CA GLN A 513 2.466 -35.832 2.069 1.00 0.00 C ATOM 1449 C GLN A 513 2.373 -36.554 0.723 1.00 0.00 C ATOM 1450 O GLN A 513 1.335 -36.520 0.066 1.00 0.00 O ATOM 1451 CB GLN A 513 1.395 -36.338 3.038 1.00 0.00 C ATOM 1452 CG GLN A 513 2.007 -37.247 4.104 1.00 0.00 C ATOM 1453 CD GLN A 513 2.220 -36.488 5.416 1.00 0.00 C ATOM 1454 OE1 GLN A 513 1.338 -35.817 5.924 1.00 0.00 O ATOM 1455 NE2 GLN A 513 3.436 -36.633 5.933 1.00 0.00 N ATOM 0 H GLN A 513 1.462 -34.079 1.511 1.00 0.00 H new ATOM 0 HA GLN A 513 3.439 -36.049 2.509 1.00 0.00 H new ATOM 0 HB2 GLN A 513 0.903 -35.491 3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 513 0.629 -36.883 2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 513 1.354 -38.102 4.276 1.00 0.00 H new ATOM 0 HG3 GLN A 513 2.959 -37.640 3.748 1.00 0.00 H new ATOM 0 HE21 GLN A 513 4.128 -37.210 5.455 1.00 0.00 H new ATOM 0 HE22 GLN A 513 3.677 -36.167 6.808 1.00 0.00 H new ATOM 1464 N CYS A 514 3.475 -37.191 0.352 1.00 0.00 N ATOM 1465 CA CYS A 514 3.532 -37.920 -0.903 1.00 0.00 C ATOM 1466 C CYS A 514 2.661 -39.171 -0.772 1.00 0.00 C ATOM 1467 O CYS A 514 3.147 -40.232 -0.383 1.00 0.00 O ATOM 1468 CB CYS A 514 4.971 -38.264 -1.294 1.00 0.00 C ATOM 1469 SG CYS A 514 5.634 -37.302 -2.701 1.00 0.00 S ATOM 0 H CYS A 514 4.335 -37.217 0.899 1.00 0.00 H new ATOM 0 HA CYS A 514 3.147 -37.293 -1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 514 5.615 -38.107 -0.429 1.00 0.00 H new ATOM 0 HB3 CYS A 514 5.022 -39.324 -1.541 1.00 0.00 H new ATOM 1474 N GLU A 515 1.388 -39.005 -1.102 1.00 0.00 N ATOM 1475 CA GLU A 515 0.446 -40.109 -1.025 1.00 0.00 C ATOM 1476 C GLU A 515 0.994 -41.328 -1.769 1.00 0.00 C ATOM 1477 O GLU A 515 2.061 -41.261 -2.378 1.00 0.00 O ATOM 1478 CB GLU A 515 -0.922 -39.702 -1.577 1.00 0.00 C ATOM 1479 CG GLU A 515 -0.866 -39.509 -3.094 1.00 0.00 C ATOM 1480 CD GLU A 515 -1.295 -40.784 -3.823 1.00 0.00 C ATOM 1481 OE1 GLU A 515 -2.411 -41.281 -3.601 1.00 0.00 O ATOM 1482 OE2 GLU A 515 -0.426 -41.260 -4.649 1.00 0.00 O ATOM 0 H GLU A 515 0.987 -38.124 -1.423 1.00 0.00 H new ATOM 0 HA GLU A 515 0.315 -40.375 0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 515 -1.659 -40.466 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 515 -1.250 -38.778 -1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 515 -1.516 -38.683 -3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 515 0.146 -39.238 -3.393 1.00 0.00 H new ATOM 1490 N CYS A 516 0.241 -42.416 -1.692 1.00 0.00 N ATOM 1491 CA CYS A 516 0.638 -43.649 -2.351 1.00 0.00 C ATOM 1492 C CYS A 516 -0.073 -43.724 -3.702 1.00 0.00 C ATOM 1493 O CYS A 516 -1.248 -43.375 -3.809 1.00 0.00 O ATOM 1494 CB CYS A 516 0.345 -44.874 -1.482 1.00 0.00 C ATOM 1495 SG CYS A 516 1.793 -45.943 -1.147 1.00 0.00 S ATOM 0 H CYS A 516 -0.642 -42.469 -1.183 1.00 0.00 H new ATOM 0 HA CYS A 516 1.716 -43.648 -2.510 1.00 0.00 H new ATOM 0 HB2 CYS A 516 -0.068 -44.537 -0.531 1.00 0.00 H new ATOM 0 HB3 CYS A 516 -0.425 -45.472 -1.970 1.00 0.00 H new ATOM 0 HG CYS A 516 1.430 -46.945 -0.403 1.00 0.00 H new ATOM 1500 N PRO A 517 0.687 -44.193 -4.729 1.00 0.00 N ATOM 1501 CA PRO A 517 0.141 -44.318 -6.069 1.00 0.00 C ATOM 1502 C PRO A 517 -0.798 -45.523 -6.168 1.00 0.00 C ATOM 1503 O PRO A 517 -0.762 -46.414 -5.321 1.00 0.00 O ATOM 1504 CB PRO A 517 1.353 -44.433 -6.978 1.00 0.00 C ATOM 1505 CG PRO A 517 2.512 -44.834 -6.080 1.00 0.00 C ATOM 1506 CD PRO A 517 2.082 -44.615 -4.639 1.00 0.00 C ATOM 0 HA PRO A 517 -0.474 -43.465 -6.354 1.00 0.00 H new ATOM 0 HB2 PRO A 517 1.187 -45.177 -7.757 1.00 0.00 H new ATOM 0 HB3 PRO A 517 1.557 -43.487 -7.479 1.00 0.00 H new ATOM 0 HG2 PRO A 517 2.779 -45.878 -6.244 1.00 0.00 H new ATOM 0 HG3 PRO A 517 3.396 -44.239 -6.309 1.00 0.00 H new ATOM 0 HD2 PRO A 517 2.182 -45.528 -4.053 1.00 0.00 H new ATOM 0 HD3 PRO A 517 2.695 -43.856 -4.154 1.00 0.00 H new