USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=17 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 462 GLN :FLIP amide:sc= -5.14! C(o=-14!,f=-9.8!) USER MOD Set 1.2: A 463 ASN :FLIP amide:sc= -4.65! C(o=-17!,f=-9.8!) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 ASN :FLIP amide:sc= 1.08 F(o=-0.66,f=1.1) USER MOD Single : A 425 HIS :FLIP no HD1:sc= -1.98 F(o=-4.6!,f=-2) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -2.57! C(o=-2.6!,f=-12!) USER MOD Single : A 432 THR OG1 : rot -73:sc= -6.92! USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 439 GLN : amide:sc= -0.017 X(o=-0.017,f=-0.076) USER MOD Single : A 442 GLN : amide:sc= -0.0366 X(o=-0.037,f=0.24) USER MOD Single : A 444 TYR OH : rot 180:sc= -6.52! USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.28! USER MOD Single : A 454 ASN : amide:sc= -10.6! C(o=-11!,f=-22!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN : amide:sc= -1.82! X(o=-1.8!,f=-2) USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 470 GLN : amide:sc= -5.04! C(o=-5!,f=-12!) USER MOD Single : A 475 GLN : amide:sc= -12.6! C(o=-13!,f=-14!) USER MOD Single : A 479 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 486 HIS :FLIP no HD1:sc= 0.372 F(o=-2.4!,f=0.37) USER MOD Single : A 490 ASN : amide:sc= -0.126 X(o=-0.13,f=0.0075) USER MOD Single : A 491 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 SER OG : rot 180:sc= 0 USER MOD Single : A 501 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.0098) USER MOD Single : A 502 ASN : amide:sc= -3.43! C(o=-3.4!,f=-4.4!) USER MOD Single : A 508 LYS NZ :NH3+ 180:sc=-0.00572 (180deg=-0.00572) USER MOD Single : A 510 ASN : amide:sc= 0.325 K(o=0.33,f=-0.93) USER MOD Single : A 513 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 516 CYS SG : rot 180:sc= 0.064 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 412 2.418 34.097 6.570 1.00 0.00 N ATOM 19 CA ASP A 412 1.258 33.817 7.398 1.00 0.00 C ATOM 20 C ASP A 412 1.700 33.062 8.652 1.00 0.00 C ATOM 21 O ASP A 412 2.889 32.806 8.841 1.00 0.00 O ATOM 22 CB ASP A 412 0.248 32.941 6.651 1.00 0.00 C ATOM 23 CG ASP A 412 -1.180 32.990 7.198 1.00 0.00 C ATOM 24 OD1 ASP A 412 -1.740 34.075 7.424 1.00 0.00 O ATOM 25 OD2 ASP A 412 -1.729 31.840 7.395 1.00 0.00 O ATOM 0 HA ASP A 412 0.792 34.768 7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 412 0.231 33.245 5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 412 0.596 31.908 6.678 1.00 0.00 H new ATOM 31 N VAL A 413 0.721 32.726 9.479 1.00 0.00 N ATOM 32 CA VAL A 413 0.995 32.006 10.711 1.00 0.00 C ATOM 33 C VAL A 413 0.937 30.501 10.441 1.00 0.00 C ATOM 34 O VAL A 413 0.286 30.062 9.495 1.00 0.00 O ATOM 35 CB VAL A 413 0.026 32.454 11.807 1.00 0.00 C ATOM 36 CG1 VAL A 413 -1.229 31.579 11.821 1.00 0.00 C ATOM 37 CG2 VAL A 413 0.708 32.458 13.176 1.00 0.00 C ATOM 0 H VAL A 413 -0.264 32.939 9.320 1.00 0.00 H new ATOM 0 HA VAL A 413 1.998 32.234 11.070 1.00 0.00 H new ATOM 0 HB VAL A 413 -0.281 33.476 11.584 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -1.901 31.919 12.609 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -1.734 31.651 10.858 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -0.948 30.542 12.006 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -0.004 32.780 13.936 1.00 0.00 H new ATOM 0 HG22 VAL A 413 1.059 31.453 13.411 1.00 0.00 H new ATOM 0 HG23 VAL A 413 1.555 33.143 13.158 1.00 0.00 H new ATOM 47 N ASP A 414 1.627 29.753 11.289 1.00 0.00 N ATOM 48 CA ASP A 414 1.662 28.306 11.154 1.00 0.00 C ATOM 49 C ASP A 414 0.453 27.702 11.870 1.00 0.00 C ATOM 50 O ASP A 414 0.576 27.196 12.985 1.00 0.00 O ATOM 51 CB ASP A 414 2.927 27.725 11.788 1.00 0.00 C ATOM 52 CG ASP A 414 3.312 26.327 11.298 1.00 0.00 C ATOM 53 OD1 ASP A 414 4.501 25.986 11.210 1.00 0.00 O ATOM 54 OD2 ASP A 414 2.317 25.563 10.995 1.00 0.00 O ATOM 0 H ASP A 414 2.166 30.121 12.072 1.00 0.00 H new ATOM 0 HA ASP A 414 1.648 28.066 10.091 1.00 0.00 H new ATOM 0 HB2 ASP A 414 3.758 28.403 11.593 1.00 0.00 H new ATOM 0 HB3 ASP A 414 2.791 27.690 12.869 1.00 0.00 H new ATOM 60 N GLU A 415 -0.688 27.776 11.202 1.00 0.00 N ATOM 61 CA GLU A 415 -1.919 27.241 11.760 1.00 0.00 C ATOM 62 C GLU A 415 -1.728 25.778 12.162 1.00 0.00 C ATOM 63 O GLU A 415 -2.520 25.232 12.929 1.00 0.00 O ATOM 64 CB GLU A 415 -3.079 27.393 10.775 1.00 0.00 C ATOM 65 CG GLU A 415 -3.547 28.847 10.698 1.00 0.00 C ATOM 66 CD GLU A 415 -3.303 29.428 9.303 1.00 0.00 C ATOM 67 OE1 GLU A 415 -3.579 28.761 8.296 1.00 0.00 O ATOM 68 OE2 GLU A 415 -2.809 30.620 9.288 1.00 0.00 O ATOM 0 H GLU A 415 -0.787 28.198 10.279 1.00 0.00 H new ATOM 0 HA GLU A 415 -2.168 27.813 12.654 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -2.768 27.055 9.787 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -3.908 26.756 11.083 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -4.608 28.905 10.939 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -3.018 29.443 11.442 1.00 0.00 H new ATOM 76 N CYS A 416 -0.672 25.182 11.626 1.00 0.00 N ATOM 77 CA CYS A 416 -0.368 23.792 11.920 1.00 0.00 C ATOM 78 C CYS A 416 0.439 23.741 13.219 1.00 0.00 C ATOM 79 O CYS A 416 0.524 22.695 13.860 1.00 0.00 O ATOM 80 CB CYS A 416 0.371 23.118 10.762 1.00 0.00 C ATOM 81 SG CYS A 416 1.288 21.602 11.215 1.00 0.00 S ATOM 0 H CYS A 416 -0.017 25.637 10.990 1.00 0.00 H new ATOM 0 HA CYS A 416 -1.295 23.233 12.048 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -0.351 22.870 9.984 1.00 0.00 H new ATOM 0 HB3 CYS A 416 1.071 23.834 10.331 1.00 0.00 H new ATOM 86 N SER A 417 1.012 24.884 13.567 1.00 0.00 N ATOM 87 CA SER A 417 1.809 24.983 14.779 1.00 0.00 C ATOM 88 C SER A 417 0.910 25.317 15.971 1.00 0.00 C ATOM 89 O SER A 417 1.220 24.957 17.106 1.00 0.00 O ATOM 90 CB SER A 417 2.907 26.037 14.630 1.00 0.00 C ATOM 91 OG SER A 417 3.916 25.901 15.627 1.00 0.00 O ATOM 0 H SER A 417 0.940 25.749 13.031 1.00 0.00 H new ATOM 0 HA SER A 417 2.288 24.020 14.953 1.00 0.00 H new ATOM 0 HB2 SER A 417 3.360 25.952 13.642 1.00 0.00 H new ATOM 0 HB3 SER A 417 2.466 27.032 14.694 1.00 0.00 H new ATOM 0 HG SER A 417 4.600 26.591 15.497 1.00 0.00 H new ATOM 97 N LEU A 418 -0.185 26.000 15.673 1.00 0.00 N ATOM 98 CA LEU A 418 -1.130 26.386 16.705 1.00 0.00 C ATOM 99 C LEU A 418 -1.758 25.130 17.313 1.00 0.00 C ATOM 100 O LEU A 418 -1.455 24.766 18.448 1.00 0.00 O ATOM 101 CB LEU A 418 -2.154 27.378 16.153 1.00 0.00 C ATOM 102 CG LEU A 418 -1.656 28.809 15.938 1.00 0.00 C ATOM 103 CD1 LEU A 418 -1.917 29.273 14.505 1.00 0.00 C ATOM 104 CD2 LEU A 418 -2.265 29.761 16.969 1.00 0.00 C ATOM 0 H LEU A 418 -0.439 26.296 14.730 1.00 0.00 H new ATOM 0 HA LEU A 418 -0.617 26.910 17.512 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -2.523 26.996 15.201 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -3.004 27.409 16.835 1.00 0.00 H new ATOM 0 HG LEU A 418 -0.576 28.820 16.086 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -1.553 30.293 14.381 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -1.397 28.615 13.809 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -2.987 29.243 14.302 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -1.895 30.771 16.794 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -3.351 29.751 16.876 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -1.983 29.440 17.972 1.00 0.00 H new ATOM 116 N GLY A 419 -2.620 24.499 16.528 1.00 0.00 N ATOM 117 CA GLY A 419 -3.293 23.291 16.974 1.00 0.00 C ATOM 118 C GLY A 419 -4.122 22.676 15.845 1.00 0.00 C ATOM 119 O GLY A 419 -5.171 22.085 16.091 1.00 0.00 O ATOM 0 H GLY A 419 -2.867 24.802 15.586 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -2.556 22.568 17.324 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -3.940 23.522 17.820 1.00 0.00 H new ATOM 123 N ALA A 420 -3.620 22.839 14.629 1.00 0.00 N ATOM 124 CA ALA A 420 -4.302 22.309 13.461 1.00 0.00 C ATOM 125 C ALA A 420 -3.329 21.446 12.657 1.00 0.00 C ATOM 126 O ALA A 420 -2.838 21.869 11.610 1.00 0.00 O ATOM 127 CB ALA A 420 -4.877 23.462 12.637 1.00 0.00 C ATOM 0 H ALA A 420 -2.749 23.331 14.428 1.00 0.00 H new ATOM 0 HA ALA A 420 -5.137 21.675 13.759 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -5.388 23.063 11.761 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -5.584 24.026 13.245 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -4.068 24.119 12.317 1.00 0.00 H new ATOM 133 N ASN A 421 -3.079 20.251 13.173 1.00 0.00 N ATOM 134 CA ASN A 421 -2.173 19.326 12.515 1.00 0.00 C ATOM 135 C ASN A 421 -2.984 18.207 11.857 1.00 0.00 C ATOM 136 O ASN A 421 -3.498 17.323 12.540 1.00 0.00 O ATOM 137 CB ASN A 421 -1.215 18.685 13.521 1.00 0.00 C ATOM 138 CG ASN A 421 0.017 18.113 12.816 1.00 0.00 C ATOM 139 OD1 ASN A 421 0.037 16.785 12.755 1.00 0.00 O flip ATOM 140 ND2 ASN A 421 0.892 18.830 12.360 1.00 0.00 N flip ATOM 0 H ASN A 421 -3.489 19.903 14.040 1.00 0.00 H new ATOM 0 HA ASN A 421 -1.599 19.884 11.775 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -0.906 19.427 14.258 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -1.729 17.892 14.064 1.00 0.00 H new ATOM 0 HD21 ASN A 421 0.814 19.844 12.441 1.00 0.00 H new ATOM 0 HD22 ASN A 421 1.701 18.416 11.898 1.00 0.00 H new ATOM 147 N PRO A 422 -3.075 18.285 10.501 1.00 0.00 N ATOM 148 CA PRO A 422 -3.814 17.291 9.743 1.00 0.00 C ATOM 149 C PRO A 422 -3.031 15.978 9.650 1.00 0.00 C ATOM 150 O PRO A 422 -3.591 14.901 9.851 1.00 0.00 O ATOM 151 CB PRO A 422 -4.059 17.932 8.388 1.00 0.00 C ATOM 152 CG PRO A 422 -3.056 19.067 8.276 1.00 0.00 C ATOM 153 CD PRO A 422 -2.478 19.318 9.659 1.00 0.00 C ATOM 0 HA PRO A 422 -4.757 17.017 10.216 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -3.922 17.209 7.584 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -5.080 18.305 8.311 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -2.264 18.808 7.573 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.539 19.967 7.895 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -1.390 19.245 9.653 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -2.729 20.316 10.018 1.00 0.00 H new ATOM 161 N CYS A 423 -1.748 16.113 9.346 1.00 0.00 N ATOM 162 CA CYS A 423 -0.884 14.951 9.223 1.00 0.00 C ATOM 163 C CYS A 423 -1.100 14.060 10.449 1.00 0.00 C ATOM 164 O CYS A 423 -0.767 12.877 10.426 1.00 0.00 O ATOM 165 CB CYS A 423 0.584 15.354 9.064 1.00 0.00 C ATOM 166 SG CYS A 423 0.874 16.771 7.943 1.00 0.00 S ATOM 0 H CYS A 423 -1.287 17.008 9.182 1.00 0.00 H new ATOM 0 HA CYS A 423 -1.142 14.396 8.321 1.00 0.00 H new ATOM 0 HB2 CYS A 423 0.988 15.598 10.047 1.00 0.00 H new ATOM 0 HB3 CYS A 423 1.144 14.495 8.694 1.00 0.00 H new ATOM 171 N GLU A 424 -1.657 14.664 11.489 1.00 0.00 N ATOM 172 CA GLU A 424 -1.922 13.939 12.720 1.00 0.00 C ATOM 173 C GLU A 424 -0.615 13.664 13.467 1.00 0.00 C ATOM 174 O GLU A 424 -0.460 14.061 14.621 1.00 0.00 O ATOM 175 CB GLU A 424 -2.677 12.637 12.439 1.00 0.00 C ATOM 176 CG GLU A 424 -3.975 12.910 11.677 1.00 0.00 C ATOM 177 CD GLU A 424 -5.131 12.090 12.251 1.00 0.00 C ATOM 178 OE1 GLU A 424 -5.409 12.170 13.456 1.00 0.00 O ATOM 179 OE2 GLU A 424 -5.751 11.349 11.396 1.00 0.00 O ATOM 0 H GLU A 424 -1.932 15.646 11.504 1.00 0.00 H new ATOM 0 HA GLU A 424 -2.556 14.559 13.353 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -2.045 11.964 11.859 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -2.902 12.133 13.379 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -4.216 13.972 11.731 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -3.840 12.667 10.623 1.00 0.00 H new ATOM 187 N HIS A 425 0.293 12.989 12.776 1.00 0.00 N ATOM 188 CA HIS A 425 1.581 12.657 13.360 1.00 0.00 C ATOM 189 C HIS A 425 2.566 12.284 12.251 1.00 0.00 C ATOM 190 O HIS A 425 3.726 12.694 12.280 1.00 0.00 O ATOM 191 CB HIS A 425 1.433 11.559 14.414 1.00 0.00 C ATOM 192 CG HIS A 425 0.972 10.233 13.860 1.00 0.00 C ATOM 193 ND1 HIS A 425 0.063 9.941 12.887 1.00 0.00 N flip ATOM 194 CD2 HIS A 425 1.462 9.019 14.313 1.00 0.00 C flip ATOM 195 CE1 HIS A 425 0.002 8.621 12.751 1.00 0.00 C flip ATOM 196 NE2 HIS A 425 0.868 8.048 13.635 1.00 0.00 N flip ATOM 0 H HIS A 425 0.162 12.664 11.818 1.00 0.00 H new ATOM 0 HA HIS A 425 1.984 13.527 13.879 1.00 0.00 H new ATOM 0 HB2 HIS A 425 2.391 11.419 14.914 1.00 0.00 H new ATOM 0 HB3 HIS A 425 0.723 11.891 15.172 1.00 0.00 H new ATOM 0 HD2 HIS A 425 2.203 8.887 15.088 1.00 0.00 H new ATOM 0 HE1 HIS A 425 -0.630 8.089 12.055 1.00 0.00 H new ATOM 0 HE2 HIS A 425 1.030 7.048 13.753 1.00 0.00 H new ATOM 204 N ALA A 426 2.068 11.511 11.296 1.00 0.00 N ATOM 205 CA ALA A 426 2.890 11.079 10.179 1.00 0.00 C ATOM 206 C ALA A 426 2.551 11.919 8.947 1.00 0.00 C ATOM 207 O ALA A 426 1.479 11.769 8.363 1.00 0.00 O ATOM 208 CB ALA A 426 2.679 9.581 9.939 1.00 0.00 C ATOM 0 H ALA A 426 1.106 11.173 11.273 1.00 0.00 H new ATOM 0 HA ALA A 426 3.947 11.229 10.400 1.00 0.00 H new ATOM 0 HB1 ALA A 426 3.296 9.256 9.101 1.00 0.00 H new ATOM 0 HB2 ALA A 426 2.961 9.026 10.834 1.00 0.00 H new ATOM 0 HB3 ALA A 426 1.630 9.393 9.712 1.00 0.00 H new ATOM 214 N GLY A 427 3.485 12.787 8.587 1.00 0.00 N ATOM 215 CA GLY A 427 3.299 13.652 7.435 1.00 0.00 C ATOM 216 C GLY A 427 4.016 14.989 7.633 1.00 0.00 C ATOM 217 O GLY A 427 4.410 15.329 8.748 1.00 0.00 O ATOM 0 H GLY A 427 4.373 12.910 9.073 1.00 0.00 H new ATOM 0 HA2 GLY A 427 3.680 13.160 6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 427 2.235 13.826 7.274 1.00 0.00 H new ATOM 221 N LYS A 428 4.160 15.715 6.533 1.00 0.00 N ATOM 222 CA LYS A 428 4.822 17.008 6.571 1.00 0.00 C ATOM 223 C LYS A 428 3.774 18.107 6.756 1.00 0.00 C ATOM 224 O LYS A 428 2.707 18.060 6.145 1.00 0.00 O ATOM 225 CB LYS A 428 5.702 17.198 5.334 1.00 0.00 C ATOM 226 CG LYS A 428 7.104 17.667 5.724 1.00 0.00 C ATOM 227 CD LYS A 428 7.064 19.070 6.334 1.00 0.00 C ATOM 228 CE LYS A 428 7.978 20.027 5.567 1.00 0.00 C ATOM 229 NZ LYS A 428 9.285 20.153 6.250 1.00 0.00 N ATOM 0 H LYS A 428 3.829 15.432 5.610 1.00 0.00 H new ATOM 0 HA LYS A 428 5.498 17.064 7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 428 5.769 16.260 4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 428 5.244 17.927 4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 428 7.539 16.968 6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 428 7.749 17.667 4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 428 6.042 19.448 6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 428 7.373 19.025 7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 428 8.126 19.662 4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 428 7.506 21.006 5.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 9.894 20.806 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 9.140 20.522 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 9.741 19.220 6.302 1.00 0.00 H new ATOM 242 N CYS A 429 4.114 19.072 7.597 1.00 0.00 N ATOM 243 CA CYS A 429 3.215 20.180 7.868 1.00 0.00 C ATOM 244 C CYS A 429 3.980 21.486 7.642 1.00 0.00 C ATOM 245 O CYS A 429 5.001 21.729 8.281 1.00 0.00 O ATOM 246 CB CYS A 429 2.628 20.101 9.280 1.00 0.00 C ATOM 247 SG CYS A 429 3.068 21.500 10.374 1.00 0.00 S ATOM 0 H CYS A 429 5.001 19.109 8.100 1.00 0.00 H new ATOM 0 HA CYS A 429 2.364 20.135 7.188 1.00 0.00 H new ATOM 0 HB2 CYS A 429 1.542 20.045 9.204 1.00 0.00 H new ATOM 0 HB3 CYS A 429 2.963 19.174 9.746 1.00 0.00 H new ATOM 252 N ILE A 430 3.456 22.290 6.729 1.00 0.00 N ATOM 253 CA ILE A 430 4.079 23.563 6.410 1.00 0.00 C ATOM 254 C ILE A 430 3.064 24.689 6.625 1.00 0.00 C ATOM 255 O ILE A 430 1.878 24.431 6.822 1.00 0.00 O ATOM 256 CB ILE A 430 4.672 23.532 4.999 1.00 0.00 C ATOM 257 CG1 ILE A 430 4.288 22.242 4.272 1.00 0.00 C ATOM 258 CG2 ILE A 430 6.187 23.741 5.037 1.00 0.00 C ATOM 259 CD1 ILE A 430 5.071 21.049 4.823 1.00 0.00 C ATOM 0 H ILE A 430 2.608 22.085 6.201 1.00 0.00 H new ATOM 0 HA ILE A 430 4.918 23.755 7.079 1.00 0.00 H new ATOM 0 HB ILE A 430 4.248 24.360 4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 430 3.219 22.062 4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 430 4.484 22.349 3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 430 6.584 23.715 4.022 1.00 0.00 H new ATOM 0 HG22 ILE A 430 6.410 24.708 5.489 1.00 0.00 H new ATOM 0 HG23 ILE A 430 6.649 22.950 5.628 1.00 0.00 H new ATOM 0 HD11 ILE A 430 4.779 20.145 4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 430 6.139 21.221 4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 430 4.853 20.930 5.884 1.00 0.00 H new ATOM 271 N ASN A 431 3.568 25.914 6.580 1.00 0.00 N ATOM 272 CA ASN A 431 2.720 27.079 6.766 1.00 0.00 C ATOM 273 C ASN A 431 2.428 27.717 5.406 1.00 0.00 C ATOM 274 O ASN A 431 3.350 28.021 4.649 1.00 0.00 O ATOM 275 CB ASN A 431 3.412 28.127 7.641 1.00 0.00 C ATOM 276 CG ASN A 431 2.767 29.503 7.461 1.00 0.00 C ATOM 277 OD1 ASN A 431 1.661 29.638 6.963 1.00 0.00 O ATOM 278 ND2 ASN A 431 3.516 30.512 7.896 1.00 0.00 N ATOM 0 H ASN A 431 4.553 26.125 6.417 1.00 0.00 H new ATOM 0 HA ASN A 431 1.800 26.753 7.251 1.00 0.00 H new ATOM 0 HB2 ASN A 431 3.354 27.828 8.688 1.00 0.00 H new ATOM 0 HB3 ASN A 431 4.470 28.180 7.383 1.00 0.00 H new ATOM 0 HD21 ASN A 431 3.173 31.470 7.823 1.00 0.00 H new ATOM 0 HD22 ASN A 431 4.433 30.328 8.303 1.00 0.00 H new ATOM 285 N THR A 432 1.144 27.900 5.138 1.00 0.00 N ATOM 286 CA THR A 432 0.720 28.495 3.883 1.00 0.00 C ATOM 287 C THR A 432 0.024 29.834 4.135 1.00 0.00 C ATOM 288 O THR A 432 -0.261 30.183 5.280 1.00 0.00 O ATOM 289 CB THR A 432 -0.162 27.481 3.153 1.00 0.00 C ATOM 290 OG1 THR A 432 -0.389 26.459 4.119 1.00 0.00 O ATOM 291 CG2 THR A 432 0.580 26.766 2.021 1.00 0.00 C ATOM 0 H THR A 432 0.383 27.647 5.769 1.00 0.00 H new ATOM 0 HA THR A 432 1.574 28.723 3.246 1.00 0.00 H new ATOM 0 HB THR A 432 -1.038 27.988 2.749 1.00 0.00 H new ATOM 0 HG1 THR A 432 0.430 25.934 4.238 1.00 0.00 H new ATOM 0 HG21 THR A 432 -0.092 26.058 1.536 1.00 0.00 H new ATOM 0 HG22 THR A 432 0.923 27.499 1.291 1.00 0.00 H new ATOM 0 HG23 THR A 432 1.438 26.232 2.429 1.00 0.00 H new ATOM 299 N LEU A 433 -0.227 30.549 3.048 1.00 0.00 N ATOM 300 CA LEU A 433 -0.883 31.842 3.139 1.00 0.00 C ATOM 301 C LEU A 433 -2.385 31.634 3.347 1.00 0.00 C ATOM 302 O LEU A 433 -3.049 31.007 2.523 1.00 0.00 O ATOM 303 CB LEU A 433 -0.546 32.700 1.918 1.00 0.00 C ATOM 304 CG LEU A 433 0.552 33.747 2.116 1.00 0.00 C ATOM 305 CD1 LEU A 433 1.001 34.332 0.775 1.00 0.00 C ATOM 306 CD2 LEU A 433 0.103 34.834 3.094 1.00 0.00 C ATOM 0 H LEU A 433 0.012 30.257 2.100 1.00 0.00 H new ATOM 0 HA LEU A 433 -0.514 32.396 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -0.247 32.038 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -1.454 33.211 1.596 1.00 0.00 H new ATOM 0 HG LEU A 433 1.418 33.254 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 433 1.782 35.073 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 433 1.389 33.534 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 433 0.152 34.806 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 433 0.902 35.565 3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -0.786 35.330 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -0.127 34.383 4.059 1.00 0.00 H new ATOM 318 N GLY A 434 -2.875 32.172 4.455 1.00 0.00 N ATOM 319 CA GLY A 434 -4.285 32.054 4.783 1.00 0.00 C ATOM 320 C GLY A 434 -4.575 30.726 5.486 1.00 0.00 C ATOM 321 O GLY A 434 -5.284 30.693 6.491 1.00 0.00 O ATOM 0 H GLY A 434 -2.320 32.690 5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -4.583 32.882 5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -4.881 32.126 3.873 1.00 0.00 H new ATOM 325 N SER A 435 -4.012 29.663 4.930 1.00 0.00 N ATOM 326 CA SER A 435 -4.201 28.336 5.491 1.00 0.00 C ATOM 327 C SER A 435 -2.853 27.619 5.601 1.00 0.00 C ATOM 328 O SER A 435 -1.841 28.111 5.106 1.00 0.00 O ATOM 329 CB SER A 435 -5.174 27.513 4.645 1.00 0.00 C ATOM 330 OG SER A 435 -6.358 28.241 4.333 1.00 0.00 O ATOM 0 H SER A 435 -3.425 29.694 4.097 1.00 0.00 H new ATOM 0 HA SER A 435 -4.631 28.443 6.487 1.00 0.00 H new ATOM 0 HB2 SER A 435 -4.682 27.208 3.721 1.00 0.00 H new ATOM 0 HB3 SER A 435 -5.439 26.602 5.181 1.00 0.00 H new ATOM 0 HG SER A 435 -6.953 27.682 3.791 1.00 0.00 H new ATOM 336 N PHE A 436 -2.885 26.466 6.254 1.00 0.00 N ATOM 337 CA PHE A 436 -1.680 25.675 6.435 1.00 0.00 C ATOM 338 C PHE A 436 -1.595 24.558 5.392 1.00 0.00 C ATOM 339 O PHE A 436 -2.613 24.130 4.851 1.00 0.00 O ATOM 340 CB PHE A 436 -1.761 25.050 7.829 1.00 0.00 C ATOM 341 CG PHE A 436 -3.003 24.186 8.052 1.00 0.00 C ATOM 342 CD1 PHE A 436 -3.191 23.060 7.312 1.00 0.00 C ATOM 343 CD2 PHE A 436 -3.920 24.543 8.991 1.00 0.00 C ATOM 344 CE1 PHE A 436 -4.344 22.258 7.519 1.00 0.00 C ATOM 345 CE2 PHE A 436 -5.073 23.740 9.198 1.00 0.00 C ATOM 346 CZ PHE A 436 -5.260 22.615 8.458 1.00 0.00 C ATOM 0 H PHE A 436 -3.727 26.061 6.664 1.00 0.00 H new ATOM 0 HA PHE A 436 -0.799 26.307 6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -0.873 24.441 7.995 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -1.746 25.845 8.574 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -2.463 22.776 6.567 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -3.771 25.437 9.579 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -4.493 21.365 6.931 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -5.801 24.023 9.943 1.00 0.00 H new ATOM 0 HZ PHE A 436 -6.137 22.005 8.616 1.00 0.00 H new ATOM 356 N GLU A 437 -0.370 24.121 5.141 1.00 0.00 N ATOM 357 CA GLU A 437 -0.138 23.062 4.171 1.00 0.00 C ATOM 358 C GLU A 437 0.531 21.862 4.846 1.00 0.00 C ATOM 359 O GLU A 437 1.325 22.029 5.770 1.00 0.00 O ATOM 360 CB GLU A 437 0.701 23.568 2.996 1.00 0.00 C ATOM 361 CG GLU A 437 1.314 22.403 2.219 1.00 0.00 C ATOM 362 CD GLU A 437 1.457 22.747 0.735 1.00 0.00 C ATOM 363 OE1 GLU A 437 0.468 23.127 0.089 1.00 0.00 O ATOM 364 OE2 GLU A 437 2.646 22.613 0.256 1.00 0.00 O ATOM 0 H GLU A 437 0.472 24.480 5.591 1.00 0.00 H new ATOM 0 HA GLU A 437 -1.101 22.741 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 437 0.078 24.166 2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 437 1.492 24.221 3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 437 2.291 22.158 2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.689 21.517 2.332 1.00 0.00 H new ATOM 372 N CYS A 438 0.184 20.680 4.358 1.00 0.00 N ATOM 373 CA CYS A 438 0.741 19.453 4.901 1.00 0.00 C ATOM 374 C CYS A 438 0.982 18.482 3.745 1.00 0.00 C ATOM 375 O CYS A 438 0.093 18.254 2.925 1.00 0.00 O ATOM 376 CB CYS A 438 -0.164 18.849 5.976 1.00 0.00 C ATOM 377 SG CYS A 438 0.090 17.063 6.279 1.00 0.00 S ATOM 0 H CYS A 438 -0.476 20.546 3.592 1.00 0.00 H new ATOM 0 HA CYS A 438 1.688 19.668 5.396 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.004 19.388 6.910 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.203 19.010 5.689 1.00 0.00 H new ATOM 382 N GLN A 439 2.187 17.933 3.716 1.00 0.00 N ATOM 383 CA GLN A 439 2.556 16.990 2.673 1.00 0.00 C ATOM 384 C GLN A 439 2.146 15.572 3.072 1.00 0.00 C ATOM 385 O GLN A 439 1.953 15.286 4.253 1.00 0.00 O ATOM 386 CB GLN A 439 4.055 17.065 2.372 1.00 0.00 C ATOM 387 CG GLN A 439 4.494 18.509 2.126 1.00 0.00 C ATOM 388 CD GLN A 439 5.778 18.557 1.296 1.00 0.00 C ATOM 389 OE1 GLN A 439 5.847 18.062 0.183 1.00 0.00 O ATOM 390 NE2 GLN A 439 6.787 19.180 1.896 1.00 0.00 N ATOM 0 H GLN A 439 2.921 18.123 4.398 1.00 0.00 H new ATOM 0 HA GLN A 439 2.023 17.258 1.761 1.00 0.00 H new ATOM 0 HB2 GLN A 439 4.618 16.647 3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 439 4.284 16.457 1.497 1.00 0.00 H new ATOM 0 HG2 GLN A 439 3.702 19.051 1.609 1.00 0.00 H new ATOM 0 HG3 GLN A 439 4.654 19.012 3.080 1.00 0.00 H new ATOM 0 HE21 GLN A 439 6.662 19.572 2.829 1.00 0.00 H new ATOM 0 HE22 GLN A 439 7.687 19.266 1.423 1.00 0.00 H new ATOM 399 N CYS A 440 2.026 14.721 2.065 1.00 0.00 N ATOM 400 CA CYS A 440 1.642 13.338 2.294 1.00 0.00 C ATOM 401 C CYS A 440 2.897 12.548 2.672 1.00 0.00 C ATOM 402 O CYS A 440 4.008 13.069 2.596 1.00 0.00 O ATOM 403 CB CYS A 440 0.934 12.738 1.078 1.00 0.00 C ATOM 404 SG CYS A 440 -0.875 12.539 1.264 1.00 0.00 S ATOM 0 H CYS A 440 2.188 14.962 1.087 1.00 0.00 H new ATOM 0 HA CYS A 440 0.922 13.288 3.111 1.00 0.00 H new ATOM 0 HB2 CYS A 440 1.129 13.372 0.213 1.00 0.00 H new ATOM 0 HB3 CYS A 440 1.372 11.763 0.864 1.00 0.00 H new ATOM 409 N LEU A 441 2.676 11.303 3.071 1.00 0.00 N ATOM 410 CA LEU A 441 3.775 10.437 3.461 1.00 0.00 C ATOM 411 C LEU A 441 3.334 8.976 3.344 1.00 0.00 C ATOM 412 O LEU A 441 2.383 8.557 4.003 1.00 0.00 O ATOM 413 CB LEU A 441 4.287 10.814 4.852 1.00 0.00 C ATOM 414 CG LEU A 441 3.325 10.557 6.014 1.00 0.00 C ATOM 415 CD1 LEU A 441 1.889 10.907 5.624 1.00 0.00 C ATOM 416 CD2 LEU A 441 3.448 9.118 6.520 1.00 0.00 C ATOM 0 H LEU A 441 1.752 10.874 3.132 1.00 0.00 H new ATOM 0 HA LEU A 441 4.622 10.570 2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 441 5.208 10.262 5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 441 4.545 11.873 4.848 1.00 0.00 H new ATOM 0 HG LEU A 441 3.603 11.213 6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 441 1.226 10.715 6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 441 1.833 11.961 5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 441 1.583 10.295 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 441 2.754 8.962 7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.211 8.426 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 441 4.467 8.939 6.864 1.00 0.00 H new ATOM 428 N GLN A 442 4.044 8.242 2.499 1.00 0.00 N ATOM 429 CA GLN A 442 3.736 6.838 2.287 1.00 0.00 C ATOM 430 C GLN A 442 2.414 6.693 1.530 1.00 0.00 C ATOM 431 O GLN A 442 2.388 6.757 0.302 1.00 0.00 O ATOM 432 CB GLN A 442 3.695 6.080 3.615 1.00 0.00 C ATOM 433 CG GLN A 442 5.013 5.344 3.868 1.00 0.00 C ATOM 434 CD GLN A 442 5.575 5.689 5.248 1.00 0.00 C ATOM 435 OE1 GLN A 442 5.660 4.857 6.137 1.00 0.00 O ATOM 436 NE2 GLN A 442 5.955 6.957 5.377 1.00 0.00 N ATOM 0 H GLN A 442 4.831 8.593 1.954 1.00 0.00 H new ATOM 0 HA GLN A 442 4.528 6.399 1.681 1.00 0.00 H new ATOM 0 HB2 GLN A 442 3.502 6.778 4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 442 2.872 5.366 3.605 1.00 0.00 H new ATOM 0 HG2 GLN A 442 4.853 4.268 3.795 1.00 0.00 H new ATOM 0 HG3 GLN A 442 5.737 5.612 3.099 1.00 0.00 H new ATOM 0 HE21 GLN A 442 5.856 7.601 4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 442 6.345 7.285 6.260 1.00 0.00 H new ATOM 445 N GLY A 443 1.350 6.498 2.295 1.00 0.00 N ATOM 446 CA GLY A 443 0.029 6.343 1.712 1.00 0.00 C ATOM 447 C GLY A 443 -1.038 7.010 2.583 1.00 0.00 C ATOM 448 O GLY A 443 -1.811 6.330 3.254 1.00 0.00 O ATOM 0 H GLY A 443 1.376 6.444 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 443 0.015 6.781 0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -0.200 5.283 1.598 1.00 0.00 H new ATOM 452 N TYR A 444 -1.043 8.335 2.545 1.00 0.00 N ATOM 453 CA TYR A 444 -2.001 9.102 3.324 1.00 0.00 C ATOM 454 C TYR A 444 -3.112 9.658 2.430 1.00 0.00 C ATOM 455 O TYR A 444 -2.951 9.747 1.214 1.00 0.00 O ATOM 456 CB TYR A 444 -1.217 10.268 3.927 1.00 0.00 C ATOM 457 CG TYR A 444 -0.859 10.079 5.403 1.00 0.00 C ATOM 458 CD1 TYR A 444 -0.118 8.985 5.800 1.00 0.00 C ATOM 459 CD2 TYR A 444 -1.280 11.005 6.338 1.00 0.00 C ATOM 460 CE1 TYR A 444 0.218 8.808 7.188 1.00 0.00 C ATOM 461 CE2 TYR A 444 -0.944 10.827 7.727 1.00 0.00 C ATOM 462 CZ TYR A 444 -0.212 9.738 8.084 1.00 0.00 C ATOM 463 OH TYR A 444 0.106 9.571 9.396 1.00 0.00 O ATOM 0 H TYR A 444 -0.399 8.896 1.987 1.00 0.00 H new ATOM 0 HA TYR A 444 -2.468 8.476 4.084 1.00 0.00 H new ATOM 0 HB2 TYR A 444 -0.299 10.409 3.356 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -1.803 11.181 3.820 1.00 0.00 H new ATOM 0 HD1 TYR A 444 0.210 8.261 5.069 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -1.860 11.861 6.028 1.00 0.00 H new ATOM 0 HE1 TYR A 444 0.798 7.956 7.511 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -1.266 11.543 8.469 1.00 0.00 H new ATOM 0 HH TYR A 444 -0.266 10.311 9.920 1.00 0.00 H new ATOM 473 N THR A 445 -4.216 10.018 3.068 1.00 0.00 N ATOM 474 CA THR A 445 -5.353 10.563 2.348 1.00 0.00 C ATOM 475 C THR A 445 -5.416 12.081 2.522 1.00 0.00 C ATOM 476 O THR A 445 -4.444 12.783 2.247 1.00 0.00 O ATOM 477 CB THR A 445 -6.612 9.842 2.835 1.00 0.00 C ATOM 478 OG1 THR A 445 -7.679 10.539 2.198 1.00 0.00 O ATOM 479 CG2 THR A 445 -6.868 10.057 4.330 1.00 0.00 C ATOM 0 H THR A 445 -4.347 9.943 4.077 1.00 0.00 H new ATOM 0 HA THR A 445 -5.260 10.394 1.275 1.00 0.00 H new ATOM 0 HB THR A 445 -6.522 8.775 2.631 1.00 0.00 H new ATOM 0 HG1 THR A 445 -8.534 10.136 2.457 1.00 0.00 H new ATOM 0 HG21 THR A 445 -7.772 9.525 4.624 1.00 0.00 H new ATOM 0 HG22 THR A 445 -6.021 9.678 4.902 1.00 0.00 H new ATOM 0 HG23 THR A 445 -6.993 11.122 4.528 1.00 0.00 H new ATOM 487 N GLY A 446 -6.572 12.546 2.975 1.00 0.00 N ATOM 488 CA GLY A 446 -6.774 13.968 3.190 1.00 0.00 C ATOM 489 C GLY A 446 -7.254 14.652 1.906 1.00 0.00 C ATOM 490 O GLY A 446 -7.125 14.097 0.817 1.00 0.00 O ATOM 0 H GLY A 446 -7.378 11.962 3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -7.506 14.120 3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -5.843 14.425 3.524 1.00 0.00 H new ATOM 494 N PRO A 447 -7.810 15.881 2.084 1.00 0.00 N ATOM 495 CA PRO A 447 -8.308 16.647 0.955 1.00 0.00 C ATOM 496 C PRO A 447 -7.155 17.247 0.148 1.00 0.00 C ATOM 497 O PRO A 447 -7.253 17.389 -1.071 1.00 0.00 O ATOM 498 CB PRO A 447 -9.219 17.700 1.565 1.00 0.00 C ATOM 499 CG PRO A 447 -8.834 17.784 3.033 1.00 0.00 C ATOM 500 CD PRO A 447 -7.978 16.571 3.360 1.00 0.00 C ATOM 0 HA PRO A 447 -8.855 16.034 0.239 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -9.088 18.663 1.071 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -10.267 17.423 1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -8.284 18.704 3.231 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -9.725 17.803 3.661 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -7.017 16.866 3.780 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -8.464 15.930 4.096 1.00 0.00 H new ATOM 508 N ARG A 448 -6.090 17.585 0.859 1.00 0.00 N ATOM 509 CA ARG A 448 -4.920 18.167 0.225 1.00 0.00 C ATOM 510 C ARG A 448 -3.695 17.280 0.455 1.00 0.00 C ATOM 511 O ARG A 448 -2.570 17.675 0.149 1.00 0.00 O ATOM 512 CB ARG A 448 -4.637 19.569 0.769 1.00 0.00 C ATOM 513 CG ARG A 448 -5.929 20.377 0.899 1.00 0.00 C ATOM 514 CD ARG A 448 -6.359 20.944 -0.454 1.00 0.00 C ATOM 515 NE ARG A 448 -7.059 22.234 -0.263 1.00 0.00 N ATOM 516 CZ ARG A 448 -8.389 22.352 -0.065 1.00 0.00 C ATOM 517 NH1 ARG A 448 -9.177 21.256 -0.029 1.00 0.00 N ATOM 518 NH2 ARG A 448 -8.908 23.554 0.095 1.00 0.00 N ATOM 0 H ARG A 448 -6.013 17.467 1.869 1.00 0.00 H new ATOM 0 HA ARG A 448 -5.124 18.240 -0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -4.151 19.494 1.742 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -3.945 20.088 0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -6.720 19.743 1.300 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -5.783 21.191 1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -5.487 21.085 -1.092 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -7.015 20.237 -0.962 1.00 0.00 H new ATOM 0 HE ARG A 448 -6.501 23.088 -0.282 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -8.768 20.330 -0.152 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -10.181 21.354 0.121 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -8.306 24.377 0.068 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -9.911 23.660 0.246 1.00 0.00 H new ATOM 531 N CYS A 449 -3.953 16.098 0.996 1.00 0.00 N ATOM 532 CA CYS A 449 -2.884 15.151 1.272 1.00 0.00 C ATOM 533 C CYS A 449 -2.296 15.480 2.646 1.00 0.00 C ATOM 534 O CYS A 449 -1.135 15.871 2.750 1.00 0.00 O ATOM 535 CB CYS A 449 -1.817 15.168 0.175 1.00 0.00 C ATOM 536 SG CYS A 449 -1.374 13.522 -0.489 1.00 0.00 S ATOM 0 H CYS A 449 -4.886 15.774 1.251 1.00 0.00 H new ATOM 0 HA CYS A 449 -3.284 14.137 1.282 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -2.170 15.793 -0.646 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -0.917 15.639 0.570 1.00 0.00 H new ATOM 541 N GLU A 450 -3.126 15.307 3.666 1.00 0.00 N ATOM 542 CA GLU A 450 -2.702 15.579 5.029 1.00 0.00 C ATOM 543 C GLU A 450 -3.515 14.738 6.013 1.00 0.00 C ATOM 544 O GLU A 450 -3.575 15.052 7.202 1.00 0.00 O ATOM 545 CB GLU A 450 -2.820 17.070 5.352 1.00 0.00 C ATOM 546 CG GLU A 450 -4.273 17.539 5.255 1.00 0.00 C ATOM 547 CD GLU A 450 -4.541 18.219 3.911 1.00 0.00 C ATOM 548 OE1 GLU A 450 -5.285 19.210 3.856 1.00 0.00 O ATOM 549 OE2 GLU A 450 -3.944 17.685 2.900 1.00 0.00 O ATOM 0 H GLU A 450 -4.089 14.982 3.575 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.652 15.303 5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -2.439 17.259 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -2.202 17.645 4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -4.943 16.687 5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -4.490 18.233 6.067 1.00 0.00 H new ATOM 557 N ILE A 451 -4.122 13.686 5.485 1.00 0.00 N ATOM 558 CA ILE A 451 -4.929 12.798 6.304 1.00 0.00 C ATOM 559 C ILE A 451 -4.462 11.356 6.096 1.00 0.00 C ATOM 560 O ILE A 451 -4.020 10.992 5.008 1.00 0.00 O ATOM 561 CB ILE A 451 -6.417 13.009 6.018 1.00 0.00 C ATOM 562 CG1 ILE A 451 -6.789 14.490 6.114 1.00 0.00 C ATOM 563 CG2 ILE A 451 -7.281 12.140 6.935 1.00 0.00 C ATOM 564 CD1 ILE A 451 -6.407 15.064 7.480 1.00 0.00 C ATOM 0 H ILE A 451 -4.071 13.428 4.499 1.00 0.00 H new ATOM 0 HA ILE A 451 -4.796 13.028 7.361 1.00 0.00 H new ATOM 0 HB ILE A 451 -6.616 12.693 4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -6.282 15.048 5.327 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -7.860 14.611 5.951 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -8.334 12.309 6.711 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -7.040 11.089 6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -7.085 12.402 7.975 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.682 16.118 7.522 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -6.934 14.520 8.264 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -5.332 14.964 7.629 1.00 0.00 H new ATOM 576 N ASP A 452 -4.576 10.572 7.159 1.00 0.00 N ATOM 577 CA ASP A 452 -4.171 9.177 7.108 1.00 0.00 C ATOM 578 C ASP A 452 -5.411 8.295 6.949 1.00 0.00 C ATOM 579 O ASP A 452 -6.320 8.340 7.776 1.00 0.00 O ATOM 580 CB ASP A 452 -3.459 8.763 8.396 1.00 0.00 C ATOM 581 CG ASP A 452 -3.093 7.279 8.485 1.00 0.00 C ATOM 582 OD1 ASP A 452 -1.948 6.921 8.803 1.00 0.00 O ATOM 583 OD2 ASP A 452 -4.050 6.463 8.204 1.00 0.00 O ATOM 0 H ASP A 452 -4.943 10.877 8.061 1.00 0.00 H new ATOM 0 HA ASP A 452 -3.491 9.054 6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -2.548 9.353 8.495 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -4.097 9.016 9.243 1.00 0.00 H new ATOM 589 N VAL A 453 -5.410 7.514 5.877 1.00 0.00 N ATOM 590 CA VAL A 453 -6.524 6.624 5.598 1.00 0.00 C ATOM 591 C VAL A 453 -6.174 5.213 6.073 1.00 0.00 C ATOM 592 O VAL A 453 -5.014 4.921 6.362 1.00 0.00 O ATOM 593 CB VAL A 453 -6.881 6.684 4.112 1.00 0.00 C ATOM 594 CG1 VAL A 453 -5.622 6.695 3.245 1.00 0.00 C ATOM 595 CG2 VAL A 453 -7.804 5.526 3.725 1.00 0.00 C ATOM 0 H VAL A 453 -4.655 7.480 5.192 1.00 0.00 H new ATOM 0 HA VAL A 453 -7.413 6.940 6.145 1.00 0.00 H new ATOM 0 HB VAL A 453 -7.417 7.616 3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.905 6.738 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -5.017 7.567 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -5.046 5.788 3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -8.044 5.591 2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -7.304 4.579 3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -8.723 5.583 4.308 1.00 0.00 H new ATOM 605 N ASN A 454 -7.198 4.373 6.139 1.00 0.00 N ATOM 606 CA ASN A 454 -7.013 3.001 6.574 1.00 0.00 C ATOM 607 C ASN A 454 -7.003 2.080 5.351 1.00 0.00 C ATOM 608 O ASN A 454 -8.033 1.884 4.709 1.00 0.00 O ATOM 609 CB ASN A 454 -8.152 2.554 7.493 1.00 0.00 C ATOM 610 CG ASN A 454 -7.927 1.127 7.993 1.00 0.00 C ATOM 611 OD1 ASN A 454 -7.309 0.303 7.340 1.00 0.00 O ATOM 612 ND2 ASN A 454 -8.463 0.879 9.184 1.00 0.00 N ATOM 0 H ASN A 454 -8.158 4.618 5.898 1.00 0.00 H new ATOM 0 HA ASN A 454 -6.070 2.945 7.117 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -8.226 3.233 8.342 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -9.099 2.610 6.957 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -8.369 -0.046 9.603 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -8.969 1.614 9.679 1.00 0.00 H new ATOM 619 N GLU A 455 -5.827 1.540 5.068 1.00 0.00 N ATOM 620 CA GLU A 455 -5.668 0.645 3.933 1.00 0.00 C ATOM 621 C GLU A 455 -6.049 -0.783 4.328 1.00 0.00 C ATOM 622 O GLU A 455 -6.337 -1.613 3.467 1.00 0.00 O ATOM 623 CB GLU A 455 -4.241 0.700 3.385 1.00 0.00 C ATOM 624 CG GLU A 455 -3.230 0.932 4.509 1.00 0.00 C ATOM 625 CD GLU A 455 -2.964 2.426 4.710 1.00 0.00 C ATOM 626 OE1 GLU A 455 -1.803 2.833 4.858 1.00 0.00 O ATOM 627 OE2 GLU A 455 -4.016 3.173 4.706 1.00 0.00 O ATOM 0 H GLU A 455 -4.975 1.704 5.604 1.00 0.00 H new ATOM 0 HA GLU A 455 -6.338 0.974 3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -4.010 -0.232 2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -4.161 1.500 2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -3.606 0.498 5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -2.296 0.421 4.274 1.00 0.00 H new ATOM 635 N CYS A 456 -6.036 -1.028 5.630 1.00 0.00 N ATOM 636 CA CYS A 456 -6.376 -2.341 6.148 1.00 0.00 C ATOM 637 C CYS A 456 -7.871 -2.358 6.475 1.00 0.00 C ATOM 638 O CYS A 456 -8.350 -3.254 7.168 1.00 0.00 O ATOM 639 CB CYS A 456 -5.523 -2.706 7.366 1.00 0.00 C ATOM 640 SG CYS A 456 -6.174 -2.103 8.966 1.00 0.00 S ATOM 0 H CYS A 456 -5.795 -0.338 6.342 1.00 0.00 H new ATOM 0 HA CYS A 456 -6.161 -3.098 5.394 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -5.428 -3.791 7.414 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -4.520 -2.304 7.223 1.00 0.00 H new ATOM 645 N VAL A 457 -8.567 -1.356 5.958 1.00 0.00 N ATOM 646 CA VAL A 457 -9.999 -1.243 6.183 1.00 0.00 C ATOM 647 C VAL A 457 -10.738 -2.155 5.203 1.00 0.00 C ATOM 648 O VAL A 457 -11.489 -3.037 5.615 1.00 0.00 O ATOM 649 CB VAL A 457 -10.431 0.220 6.083 1.00 0.00 C ATOM 650 CG1 VAL A 457 -11.457 0.413 4.964 1.00 0.00 C ATOM 651 CG2 VAL A 457 -10.978 0.723 7.420 1.00 0.00 C ATOM 0 H VAL A 457 -8.166 -0.615 5.384 1.00 0.00 H new ATOM 0 HA VAL A 457 -10.255 -1.574 7.190 1.00 0.00 H new ATOM 0 HB VAL A 457 -9.550 0.813 5.837 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -11.748 1.462 4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -11.019 0.112 4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -12.336 -0.198 5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -11.278 1.766 7.321 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -11.841 0.123 7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -10.205 0.639 8.184 1.00 0.00 H new ATOM 661 N SER A 458 -10.500 -1.911 3.923 1.00 0.00 N ATOM 662 CA SER A 458 -11.135 -2.698 2.880 1.00 0.00 C ATOM 663 C SER A 458 -10.107 -3.623 2.224 1.00 0.00 C ATOM 664 O SER A 458 -10.424 -4.329 1.268 1.00 0.00 O ATOM 665 CB SER A 458 -11.785 -1.797 1.827 1.00 0.00 C ATOM 666 OG SER A 458 -12.921 -2.412 1.227 1.00 0.00 O ATOM 0 H SER A 458 -9.876 -1.179 3.584 1.00 0.00 H new ATOM 0 HA SER A 458 -11.919 -3.301 3.337 1.00 0.00 H new ATOM 0 HB2 SER A 458 -12.084 -0.856 2.289 1.00 0.00 H new ATOM 0 HB3 SER A 458 -11.054 -1.555 1.056 1.00 0.00 H new ATOM 0 HG SER A 458 -13.308 -1.805 0.562 1.00 0.00 H new ATOM 672 N ASN A 459 -8.899 -3.589 2.765 1.00 0.00 N ATOM 673 CA ASN A 459 -7.824 -4.417 2.245 1.00 0.00 C ATOM 674 C ASN A 459 -7.032 -5.012 3.413 1.00 0.00 C ATOM 675 O ASN A 459 -5.818 -4.841 3.495 1.00 0.00 O ATOM 676 CB ASN A 459 -6.857 -3.593 1.391 1.00 0.00 C ATOM 677 CG ASN A 459 -7.576 -2.410 0.738 1.00 0.00 C ATOM 678 OD1 ASN A 459 -7.753 -2.347 -0.468 1.00 0.00 O ATOM 679 ND2 ASN A 459 -7.978 -1.479 1.599 1.00 0.00 N ATOM 0 H ASN A 459 -8.640 -3.002 3.558 1.00 0.00 H new ATOM 0 HA ASN A 459 -8.269 -5.201 1.632 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -6.038 -3.228 2.011 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -6.416 -4.226 0.621 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -8.467 -0.650 1.262 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -7.797 -1.595 2.596 1.00 0.00 H new ATOM 686 N PRO A 460 -7.774 -5.715 4.309 1.00 0.00 N ATOM 687 CA PRO A 460 -7.155 -6.336 5.469 1.00 0.00 C ATOM 688 C PRO A 460 -6.380 -7.594 5.069 1.00 0.00 C ATOM 689 O PRO A 460 -5.735 -8.221 5.907 1.00 0.00 O ATOM 690 CB PRO A 460 -8.305 -6.624 6.420 1.00 0.00 C ATOM 691 CG PRO A 460 -9.567 -6.582 5.575 1.00 0.00 C ATOM 692 CD PRO A 460 -9.215 -5.939 4.243 1.00 0.00 C ATOM 0 HA PRO A 460 -6.413 -5.695 5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -8.185 -7.598 6.894 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -8.345 -5.884 7.219 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -9.958 -7.588 5.422 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -10.346 -6.011 6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -9.477 -6.589 3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -9.755 -5.003 4.100 1.00 0.00 H new ATOM 700 N CYS A 461 -6.471 -7.925 3.789 1.00 0.00 N ATOM 701 CA CYS A 461 -5.787 -9.095 3.268 1.00 0.00 C ATOM 702 C CYS A 461 -6.604 -10.334 3.641 1.00 0.00 C ATOM 703 O CYS A 461 -6.221 -11.456 3.315 1.00 0.00 O ATOM 704 CB CYS A 461 -4.348 -9.184 3.781 1.00 0.00 C ATOM 705 SG CYS A 461 -3.960 -10.712 4.712 1.00 0.00 S ATOM 0 H CYS A 461 -7.009 -7.402 3.097 1.00 0.00 H new ATOM 0 HA CYS A 461 -5.712 -9.023 2.183 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -3.669 -9.110 2.932 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -4.152 -8.325 4.422 1.00 0.00 H new ATOM 710 N GLN A 462 -7.714 -10.089 4.320 1.00 0.00 N ATOM 711 CA GLN A 462 -8.589 -11.170 4.741 1.00 0.00 C ATOM 712 C GLN A 462 -7.768 -12.416 5.080 1.00 0.00 C ATOM 713 O GLN A 462 -6.578 -12.317 5.381 1.00 0.00 O ATOM 714 CB GLN A 462 -9.635 -11.479 3.668 1.00 0.00 C ATOM 715 CG GLN A 462 -8.969 -11.771 2.321 1.00 0.00 C ATOM 716 CD GLN A 462 -8.569 -13.243 2.215 1.00 0.00 C ATOM 717 OE1 GLN A 462 -7.254 -13.447 2.208 1.00 0.00 O flip ATOM 718 NE2 GLN A 462 -9.398 -14.135 2.145 1.00 0.00 N flip ATOM 0 H GLN A 462 -8.028 -9.157 4.590 1.00 0.00 H new ATOM 0 HA GLN A 462 -9.120 -10.852 5.639 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -10.234 -12.336 3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -10.316 -10.634 3.565 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -9.652 -11.517 1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -8.087 -11.141 2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -10.393 -13.909 2.156 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -9.097 -15.107 2.076 1.00 0.00 H new ATOM 727 N ASN A 463 -8.434 -13.560 5.020 1.00 0.00 N ATOM 728 CA ASN A 463 -7.780 -14.823 5.317 1.00 0.00 C ATOM 729 C ASN A 463 -7.518 -14.915 6.821 1.00 0.00 C ATOM 730 O ASN A 463 -6.552 -15.547 7.250 1.00 0.00 O ATOM 731 CB ASN A 463 -6.436 -14.930 4.595 1.00 0.00 C ATOM 732 CG ASN A 463 -6.438 -16.094 3.602 1.00 0.00 C ATOM 733 OD1 ASN A 463 -7.520 -16.141 2.828 1.00 0.00 O flip ATOM 734 ND2 ASN A 463 -5.520 -16.894 3.541 1.00 0.00 N flip ATOM 0 H ASN A 463 -9.420 -13.639 4.770 1.00 0.00 H new ATOM 0 HA ASN A 463 -8.434 -15.628 4.983 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -6.227 -13.999 4.069 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -5.638 -15.070 5.324 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -4.719 -16.799 4.165 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -5.553 -17.658 2.866 1.00 0.00 H new ATOM 741 N ASP A 464 -8.393 -14.275 7.583 1.00 0.00 N ATOM 742 CA ASP A 464 -8.267 -14.276 9.031 1.00 0.00 C ATOM 743 C ASP A 464 -7.045 -13.450 9.434 1.00 0.00 C ATOM 744 O ASP A 464 -6.555 -13.565 10.555 1.00 0.00 O ATOM 745 CB ASP A 464 -8.073 -15.696 9.565 1.00 0.00 C ATOM 746 CG ASP A 464 -8.214 -15.841 11.082 1.00 0.00 C ATOM 747 OD1 ASP A 464 -8.710 -14.935 11.768 1.00 0.00 O ATOM 748 OD2 ASP A 464 -7.783 -16.958 11.566 1.00 0.00 O ATOM 0 H ASP A 464 -9.192 -13.752 7.225 1.00 0.00 H new ATOM 0 HA ASP A 464 -9.181 -13.854 9.449 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -8.799 -16.351 9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -7.083 -16.046 9.272 1.00 0.00 H new ATOM 754 N ALA A 465 -6.587 -12.633 8.495 1.00 0.00 N ATOM 755 CA ALA A 465 -5.431 -11.786 8.739 1.00 0.00 C ATOM 756 C ALA A 465 -5.870 -10.542 9.513 1.00 0.00 C ATOM 757 O ALA A 465 -6.724 -9.787 9.050 1.00 0.00 O ATOM 758 CB ALA A 465 -4.764 -11.439 7.407 1.00 0.00 C ATOM 0 H ALA A 465 -6.995 -12.540 7.565 1.00 0.00 H new ATOM 0 HA ALA A 465 -4.693 -12.309 9.347 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -3.897 -10.804 7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -4.445 -12.355 6.910 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -5.474 -10.910 6.771 1.00 0.00 H new ATOM 764 N THR A 466 -5.264 -10.365 10.679 1.00 0.00 N ATOM 765 CA THR A 466 -5.581 -9.226 11.521 1.00 0.00 C ATOM 766 C THR A 466 -5.063 -7.933 10.886 1.00 0.00 C ATOM 767 O THR A 466 -3.857 -7.697 10.845 1.00 0.00 O ATOM 768 CB THR A 466 -5.006 -9.491 12.913 1.00 0.00 C ATOM 769 OG1 THR A 466 -5.907 -10.436 13.486 1.00 0.00 O ATOM 770 CG2 THR A 466 -5.111 -8.273 13.833 1.00 0.00 C ATOM 0 H THR A 466 -4.555 -10.992 11.059 1.00 0.00 H new ATOM 0 HA THR A 466 -6.659 -9.095 11.619 1.00 0.00 H new ATOM 0 HB THR A 466 -3.961 -9.789 12.823 1.00 0.00 H new ATOM 0 HG1 THR A 466 -5.608 -10.666 14.391 1.00 0.00 H new ATOM 0 HG21 THR A 466 -4.688 -8.516 14.808 1.00 0.00 H new ATOM 0 HG22 THR A 466 -4.561 -7.439 13.397 1.00 0.00 H new ATOM 0 HG23 THR A 466 -6.158 -7.995 13.951 1.00 0.00 H new ATOM 778 N CYS A 467 -6.002 -7.128 10.408 1.00 0.00 N ATOM 779 CA CYS A 467 -5.656 -5.866 9.777 1.00 0.00 C ATOM 780 C CYS A 467 -5.010 -4.964 10.832 1.00 0.00 C ATOM 781 O CYS A 467 -5.490 -4.884 11.961 1.00 0.00 O ATOM 782 CB CYS A 467 -6.873 -5.205 9.128 1.00 0.00 C ATOM 783 SG CYS A 467 -7.242 -3.518 9.730 1.00 0.00 S ATOM 0 H CYS A 467 -7.002 -7.326 10.445 1.00 0.00 H new ATOM 0 HA CYS A 467 -4.948 -6.043 8.968 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.715 -5.165 8.050 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -7.746 -5.835 9.299 1.00 0.00 H new ATOM 788 N LEU A 468 -3.934 -4.308 10.425 1.00 0.00 N ATOM 789 CA LEU A 468 -3.219 -3.415 11.319 1.00 0.00 C ATOM 790 C LEU A 468 -2.888 -2.116 10.582 1.00 0.00 C ATOM 791 O LEU A 468 -1.793 -1.967 10.042 1.00 0.00 O ATOM 792 CB LEU A 468 -1.993 -4.116 11.910 1.00 0.00 C ATOM 793 CG LEU A 468 -2.149 -4.654 13.333 1.00 0.00 C ATOM 794 CD1 LEU A 468 -0.785 -4.860 13.993 1.00 0.00 C ATOM 795 CD2 LEU A 468 -3.057 -3.745 14.165 1.00 0.00 C ATOM 0 H LEU A 468 -3.540 -4.377 9.487 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.846 -3.148 12.169 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -1.724 -4.946 11.257 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -1.158 -3.416 11.897 1.00 0.00 H new ATOM 0 HG LEU A 468 -2.631 -5.630 13.279 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.924 -5.243 15.004 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -0.203 -5.575 13.411 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -0.254 -3.909 14.035 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -3.152 -4.149 15.173 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -2.625 -2.746 14.214 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -4.042 -3.692 13.701 1.00 0.00 H new ATOM 807 N ASP A 469 -3.856 -1.211 10.580 1.00 0.00 N ATOM 808 CA ASP A 469 -3.682 0.070 9.915 1.00 0.00 C ATOM 809 C ASP A 469 -2.585 0.864 10.629 1.00 0.00 C ATOM 810 O ASP A 469 -2.714 1.183 11.808 1.00 0.00 O ATOM 811 CB ASP A 469 -4.969 0.894 9.962 1.00 0.00 C ATOM 812 CG ASP A 469 -4.790 2.389 9.692 1.00 0.00 C ATOM 813 OD1 ASP A 469 -5.256 3.239 10.464 1.00 0.00 O ATOM 814 OD2 ASP A 469 -4.131 2.674 8.619 1.00 0.00 O ATOM 0 H ASP A 469 -4.763 -1.339 11.028 1.00 0.00 H new ATOM 0 HA ASP A 469 -3.415 -0.122 8.876 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -5.669 0.489 9.231 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -5.427 0.770 10.943 1.00 0.00 H new ATOM 820 N GLN A 470 -1.532 1.159 9.882 1.00 0.00 N ATOM 821 CA GLN A 470 -0.414 1.910 10.428 1.00 0.00 C ATOM 822 C GLN A 470 -0.202 3.199 9.632 1.00 0.00 C ATOM 823 O GLN A 470 -1.000 3.533 8.757 1.00 0.00 O ATOM 824 CB GLN A 470 0.859 1.061 10.447 1.00 0.00 C ATOM 825 CG GLN A 470 0.987 0.296 11.766 1.00 0.00 C ATOM 826 CD GLN A 470 0.226 -1.030 11.707 1.00 0.00 C ATOM 827 OE1 GLN A 470 -0.920 -1.135 12.113 1.00 0.00 O ATOM 828 NE2 GLN A 470 0.925 -2.031 11.181 1.00 0.00 N ATOM 0 H GLN A 470 -1.429 0.892 8.903 1.00 0.00 H new ATOM 0 HA GLN A 470 -0.649 2.177 11.458 1.00 0.00 H new ATOM 0 HB2 GLN A 470 0.844 0.358 9.614 1.00 0.00 H new ATOM 0 HB3 GLN A 470 1.730 1.701 10.308 1.00 0.00 H new ATOM 0 HG2 GLN A 470 2.039 0.106 11.980 1.00 0.00 H new ATOM 0 HG3 GLN A 470 0.600 0.905 12.583 1.00 0.00 H new ATOM 0 HE21 GLN A 470 1.880 -1.873 10.861 1.00 0.00 H new ATOM 0 HE22 GLN A 470 0.506 -2.957 11.097 1.00 0.00 H new ATOM 837 N ILE A 471 0.880 3.890 9.963 1.00 0.00 N ATOM 838 CA ILE A 471 1.209 5.134 9.289 1.00 0.00 C ATOM 839 C ILE A 471 1.487 4.852 7.812 1.00 0.00 C ATOM 840 O ILE A 471 2.444 4.156 7.478 1.00 0.00 O ATOM 841 CB ILE A 471 2.359 5.844 10.006 1.00 0.00 C ATOM 842 CG1 ILE A 471 3.314 4.834 10.644 1.00 0.00 C ATOM 843 CG2 ILE A 471 1.828 6.854 11.026 1.00 0.00 C ATOM 844 CD1 ILE A 471 3.724 3.757 9.637 1.00 0.00 C ATOM 0 H ILE A 471 1.540 3.611 10.689 1.00 0.00 H new ATOM 0 HA ILE A 471 0.365 5.823 9.329 1.00 0.00 H new ATOM 0 HB ILE A 471 2.930 6.404 9.265 1.00 0.00 H new ATOM 0 HG12 ILE A 471 4.201 5.349 11.013 1.00 0.00 H new ATOM 0 HG13 ILE A 471 2.835 4.368 11.505 1.00 0.00 H new ATOM 0 HG21 ILE A 471 2.665 7.345 11.522 1.00 0.00 H new ATOM 0 HG22 ILE A 471 1.220 7.601 10.516 1.00 0.00 H new ATOM 0 HG23 ILE A 471 1.220 6.336 11.768 1.00 0.00 H new ATOM 0 HD11 ILE A 471 4.403 3.051 10.115 1.00 0.00 H new ATOM 0 HD12 ILE A 471 2.837 3.228 9.289 1.00 0.00 H new ATOM 0 HD13 ILE A 471 4.224 4.224 8.789 1.00 0.00 H new ATOM 856 N GLY A 472 0.633 5.408 6.965 1.00 0.00 N ATOM 857 CA GLY A 472 0.773 5.224 5.530 1.00 0.00 C ATOM 858 C GLY A 472 1.211 3.797 5.201 1.00 0.00 C ATOM 859 O GLY A 472 1.874 3.564 4.190 1.00 0.00 O ATOM 0 H GLY A 472 -0.159 5.987 7.245 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -0.175 5.440 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 472 1.504 5.932 5.139 1.00 0.00 H new ATOM 863 N GLU A 473 0.825 2.877 6.071 1.00 0.00 N ATOM 864 CA GLU A 473 1.169 1.477 5.886 1.00 0.00 C ATOM 865 C GLU A 473 0.307 0.593 6.789 1.00 0.00 C ATOM 866 O GLU A 473 -0.154 1.038 7.840 1.00 0.00 O ATOM 867 CB GLU A 473 2.659 1.241 6.146 1.00 0.00 C ATOM 868 CG GLU A 473 2.936 1.097 7.644 1.00 0.00 C ATOM 869 CD GLU A 473 4.349 1.577 7.988 1.00 0.00 C ATOM 870 OE1 GLU A 473 4.847 2.530 7.371 1.00 0.00 O ATOM 871 OE2 GLU A 473 4.932 0.922 8.934 1.00 0.00 O ATOM 0 H GLU A 473 0.276 3.073 6.908 1.00 0.00 H new ATOM 0 HA GLU A 473 0.967 1.207 4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 473 2.985 0.342 5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.239 2.072 5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 473 2.204 1.673 8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 473 2.820 0.055 7.941 1.00 0.00 H new ATOM 879 N PHE A 474 0.115 -0.641 6.347 1.00 0.00 N ATOM 880 CA PHE A 474 -0.683 -1.590 7.103 1.00 0.00 C ATOM 881 C PHE A 474 -0.130 -3.010 6.958 1.00 0.00 C ATOM 882 O PHE A 474 0.619 -3.295 6.025 1.00 0.00 O ATOM 883 CB PHE A 474 -2.098 -1.546 6.522 1.00 0.00 C ATOM 884 CG PHE A 474 -2.501 -2.812 5.765 1.00 0.00 C ATOM 885 CD1 PHE A 474 -2.996 -3.882 6.442 1.00 0.00 C ATOM 886 CD2 PHE A 474 -2.363 -2.868 4.413 1.00 0.00 C ATOM 887 CE1 PHE A 474 -3.369 -5.058 5.739 1.00 0.00 C ATOM 888 CE2 PHE A 474 -2.735 -4.043 3.709 1.00 0.00 C ATOM 889 CZ PHE A 474 -3.231 -5.114 4.387 1.00 0.00 C ATOM 0 H PHE A 474 0.498 -1.005 5.475 1.00 0.00 H new ATOM 0 HA PHE A 474 -0.668 -1.329 8.161 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -2.807 -1.379 7.333 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -2.177 -0.692 5.849 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -3.106 -3.838 7.516 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -1.970 -2.018 3.875 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -3.762 -5.908 6.278 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -2.625 -4.087 2.636 1.00 0.00 H new ATOM 0 HZ PHE A 474 -3.515 -6.008 3.852 1.00 0.00 H new ATOM 899 N GLN A 475 -0.522 -3.861 7.895 1.00 0.00 N ATOM 900 CA GLN A 475 -0.074 -5.243 7.883 1.00 0.00 C ATOM 901 C GLN A 475 -1.196 -6.169 8.359 1.00 0.00 C ATOM 902 O GLN A 475 -2.051 -5.760 9.145 1.00 0.00 O ATOM 903 CB GLN A 475 1.182 -5.420 8.737 1.00 0.00 C ATOM 904 CG GLN A 475 0.822 -5.595 10.213 1.00 0.00 C ATOM 905 CD GLN A 475 0.252 -6.990 10.478 1.00 0.00 C ATOM 906 OE1 GLN A 475 0.479 -7.932 9.736 1.00 0.00 O ATOM 907 NE2 GLN A 475 -0.498 -7.070 11.572 1.00 0.00 N ATOM 0 H GLN A 475 -1.144 -3.620 8.667 1.00 0.00 H new ATOM 0 HA GLN A 475 0.183 -5.512 6.858 1.00 0.00 H new ATOM 0 HB2 GLN A 475 1.742 -6.288 8.390 1.00 0.00 H new ATOM 0 HB3 GLN A 475 1.832 -4.553 8.618 1.00 0.00 H new ATOM 0 HG2 GLN A 475 1.708 -5.438 10.828 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.093 -4.839 10.505 1.00 0.00 H new ATOM 0 HE21 GLN A 475 -0.648 -6.243 12.149 1.00 0.00 H new ATOM 0 HE22 GLN A 475 -0.924 -7.959 11.835 1.00 0.00 H new ATOM 916 N CYS A 476 -1.157 -7.398 7.866 1.00 0.00 N ATOM 917 CA CYS A 476 -2.159 -8.383 8.231 1.00 0.00 C ATOM 918 C CYS A 476 -1.441 -9.616 8.785 1.00 0.00 C ATOM 919 O CYS A 476 -0.683 -10.269 8.072 1.00 0.00 O ATOM 920 CB CYS A 476 -3.065 -8.733 7.049 1.00 0.00 C ATOM 921 SG CYS A 476 -2.320 -9.866 5.820 1.00 0.00 S ATOM 0 H CYS A 476 -0.446 -7.734 7.216 1.00 0.00 H new ATOM 0 HA CYS A 476 -2.815 -7.971 8.997 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -3.980 -9.186 7.432 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -3.353 -7.811 6.544 1.00 0.00 H new ATOM 926 N ILE A 477 -1.706 -9.895 10.053 1.00 0.00 N ATOM 927 CA ILE A 477 -1.096 -11.037 10.711 1.00 0.00 C ATOM 928 C ILE A 477 -1.783 -12.320 10.239 1.00 0.00 C ATOM 929 O ILE A 477 -2.941 -12.567 10.574 1.00 0.00 O ATOM 930 CB ILE A 477 -1.111 -10.853 12.229 1.00 0.00 C ATOM 931 CG1 ILE A 477 0.215 -10.273 12.725 1.00 0.00 C ATOM 932 CG2 ILE A 477 -1.466 -12.162 12.937 1.00 0.00 C ATOM 933 CD1 ILE A 477 1.392 -11.152 12.296 1.00 0.00 C ATOM 0 H ILE A 477 -2.335 -9.349 10.642 1.00 0.00 H new ATOM 0 HA ILE A 477 -0.045 -11.118 10.435 1.00 0.00 H new ATOM 0 HB ILE A 477 -1.890 -10.132 12.478 1.00 0.00 H new ATOM 0 HG12 ILE A 477 0.346 -9.266 12.330 1.00 0.00 H new ATOM 0 HG13 ILE A 477 0.196 -10.189 13.812 1.00 0.00 H new ATOM 0 HG21 ILE A 477 -1.470 -12.003 14.015 1.00 0.00 H new ATOM 0 HG22 ILE A 477 -2.454 -12.493 12.616 1.00 0.00 H new ATOM 0 HG23 ILE A 477 -0.728 -12.924 12.685 1.00 0.00 H new ATOM 0 HD11 ILE A 477 2.323 -10.718 12.661 1.00 0.00 H new ATOM 0 HD12 ILE A 477 1.270 -12.152 12.713 1.00 0.00 H new ATOM 0 HD13 ILE A 477 1.423 -11.214 11.208 1.00 0.00 H new ATOM 945 N CYS A 478 -1.041 -13.104 9.470 1.00 0.00 N ATOM 946 CA CYS A 478 -1.565 -14.355 8.948 1.00 0.00 C ATOM 947 C CYS A 478 -0.816 -15.506 9.622 1.00 0.00 C ATOM 948 O CYS A 478 0.087 -15.278 10.427 1.00 0.00 O ATOM 949 CB CYS A 478 -1.461 -14.420 7.424 1.00 0.00 C ATOM 950 SG CYS A 478 -2.696 -15.504 6.616 1.00 0.00 S ATOM 0 H CYS A 478 -0.081 -12.897 9.196 1.00 0.00 H new ATOM 0 HA CYS A 478 -2.628 -14.431 9.176 1.00 0.00 H new ATOM 0 HB2 CYS A 478 -1.566 -13.412 7.023 1.00 0.00 H new ATOM 0 HB3 CYS A 478 -0.463 -14.767 7.156 1.00 0.00 H new ATOM 955 N MET A 479 -1.217 -16.718 9.267 1.00 0.00 N ATOM 956 CA MET A 479 -0.594 -17.906 9.827 1.00 0.00 C ATOM 957 C MET A 479 0.678 -18.270 9.059 1.00 0.00 C ATOM 958 O MET A 479 0.794 -17.984 7.869 1.00 0.00 O ATOM 959 CB MET A 479 -1.579 -19.075 9.767 1.00 0.00 C ATOM 960 CG MET A 479 -2.738 -18.868 10.746 1.00 0.00 C ATOM 961 SD MET A 479 -4.105 -19.929 10.308 1.00 0.00 S ATOM 962 CE MET A 479 -4.013 -21.116 11.639 1.00 0.00 C ATOM 0 H MET A 479 -1.965 -16.903 8.599 1.00 0.00 H new ATOM 0 HA MET A 479 -0.325 -17.699 10.863 1.00 0.00 H new ATOM 0 HB2 MET A 479 -1.968 -19.176 8.754 1.00 0.00 H new ATOM 0 HB3 MET A 479 -1.061 -20.004 10.003 1.00 0.00 H new ATOM 0 HG2 MET A 479 -2.409 -19.085 11.762 1.00 0.00 H new ATOM 0 HG3 MET A 479 -3.056 -17.826 10.730 1.00 0.00 H new ATOM 0 HE1 MET A 479 -4.802 -21.858 11.520 1.00 0.00 H new ATOM 0 HE2 MET A 479 -3.043 -21.612 11.618 1.00 0.00 H new ATOM 0 HE3 MET A 479 -4.138 -20.603 12.593 1.00 0.00 H new ATOM 972 N PRO A 480 1.627 -18.914 9.793 1.00 0.00 N ATOM 973 CA PRO A 480 2.886 -19.321 9.196 1.00 0.00 C ATOM 974 C PRO A 480 2.697 -20.547 8.301 1.00 0.00 C ATOM 975 O PRO A 480 3.397 -21.547 8.454 1.00 0.00 O ATOM 976 CB PRO A 480 3.814 -19.581 10.371 1.00 0.00 C ATOM 977 CG PRO A 480 2.912 -19.761 11.582 1.00 0.00 C ATOM 978 CD PRO A 480 1.523 -19.270 11.205 1.00 0.00 C ATOM 0 HA PRO A 480 3.304 -18.560 8.537 1.00 0.00 H new ATOM 0 HB2 PRO A 480 4.421 -20.470 10.200 1.00 0.00 H new ATOM 0 HB3 PRO A 480 4.502 -18.749 10.517 1.00 0.00 H new ATOM 0 HG2 PRO A 480 2.879 -20.809 11.881 1.00 0.00 H new ATOM 0 HG3 PRO A 480 3.298 -19.199 12.433 1.00 0.00 H new ATOM 0 HD2 PRO A 480 0.772 -20.044 11.364 1.00 0.00 H new ATOM 0 HD3 PRO A 480 1.229 -18.412 11.809 1.00 0.00 H new ATOM 986 N GLY A 481 1.748 -20.430 7.383 1.00 0.00 N ATOM 987 CA GLY A 481 1.459 -21.515 6.462 1.00 0.00 C ATOM 988 C GLY A 481 1.208 -20.985 5.049 1.00 0.00 C ATOM 989 O GLY A 481 1.662 -21.576 4.071 1.00 0.00 O ATOM 0 H GLY A 481 1.169 -19.599 7.258 1.00 0.00 H new ATOM 0 HA2 GLY A 481 2.293 -22.216 6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 481 0.585 -22.067 6.808 1.00 0.00 H new ATOM 993 N TYR A 482 0.486 -19.876 4.988 1.00 0.00 N ATOM 994 CA TYR A 482 0.169 -19.259 3.712 1.00 0.00 C ATOM 995 C TYR A 482 0.962 -17.965 3.517 1.00 0.00 C ATOM 996 O TYR A 482 1.593 -17.473 4.450 1.00 0.00 O ATOM 997 CB TYR A 482 -1.324 -18.926 3.762 1.00 0.00 C ATOM 998 CG TYR A 482 -2.239 -20.133 3.551 1.00 0.00 C ATOM 999 CD1 TYR A 482 -2.640 -20.479 2.275 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -2.662 -20.877 4.633 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -3.500 -21.615 2.075 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -3.523 -22.013 4.433 1.00 0.00 C ATOM 1003 CZ TYR A 482 -3.900 -22.327 3.164 1.00 0.00 C ATOM 1004 OH TYR A 482 -4.713 -23.400 2.975 1.00 0.00 O ATOM 0 H TYR A 482 0.111 -19.389 5.802 1.00 0.00 H new ATOM 0 HA TYR A 482 0.420 -19.929 2.890 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -1.553 -18.474 4.727 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -1.545 -18.178 3.000 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -2.308 -19.897 1.428 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -2.347 -20.607 5.630 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -3.821 -21.897 1.083 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -3.862 -22.603 5.272 1.00 0.00 H new ATOM 0 HH TYR A 482 -4.917 -23.813 3.840 1.00 0.00 H new ATOM 1014 N GLU A 483 0.903 -17.452 2.296 1.00 0.00 N ATOM 1015 CA GLU A 483 1.609 -16.224 1.967 1.00 0.00 C ATOM 1016 C GLU A 483 0.894 -15.492 0.827 1.00 0.00 C ATOM 1017 O GLU A 483 -0.106 -15.977 0.304 1.00 0.00 O ATOM 1018 CB GLU A 483 3.067 -16.509 1.606 1.00 0.00 C ATOM 1019 CG GLU A 483 3.942 -15.277 1.843 1.00 0.00 C ATOM 1020 CD GLU A 483 5.300 -15.672 2.426 1.00 0.00 C ATOM 1021 OE1 GLU A 483 6.025 -16.474 1.819 1.00 0.00 O ATOM 1022 OE2 GLU A 483 5.595 -15.114 3.551 1.00 0.00 O ATOM 0 H GLU A 483 0.378 -17.863 1.524 1.00 0.00 H new ATOM 0 HA GLU A 483 1.607 -15.579 2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 483 3.437 -17.342 2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 483 3.134 -16.811 0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 483 4.087 -14.744 0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 483 3.436 -14.592 2.523 1.00 0.00 H new ATOM 1030 N GLY A 484 1.440 -14.336 0.478 1.00 0.00 N ATOM 1031 CA GLY A 484 0.868 -13.532 -0.590 1.00 0.00 C ATOM 1032 C GLY A 484 0.319 -12.210 -0.048 1.00 0.00 C ATOM 1033 O GLY A 484 0.485 -11.903 1.133 1.00 0.00 O ATOM 0 H GLY A 484 2.271 -13.937 0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 484 1.627 -13.332 -1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 484 0.069 -14.088 -1.080 1.00 0.00 H new ATOM 1037 N VAL A 485 -0.322 -11.464 -0.934 1.00 0.00 N ATOM 1038 CA VAL A 485 -0.894 -10.183 -0.560 1.00 0.00 C ATOM 1039 C VAL A 485 -2.085 -10.415 0.373 1.00 0.00 C ATOM 1040 O VAL A 485 -2.290 -9.662 1.324 1.00 0.00 O ATOM 1041 CB VAL A 485 -1.265 -9.388 -1.814 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -2.773 -9.432 -2.066 1.00 0.00 C ATOM 1043 CG2 VAL A 485 -0.767 -7.945 -1.715 1.00 0.00 C ATOM 0 H VAL A 485 -0.458 -11.723 -1.911 1.00 0.00 H new ATOM 0 HA VAL A 485 -0.164 -9.584 -0.016 1.00 0.00 H new ATOM 0 HB VAL A 485 -0.770 -9.856 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -3.009 -8.859 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -3.089 -10.466 -2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -3.297 -9.002 -1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 485 -1.044 -7.402 -2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 485 -1.220 -7.463 -0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 485 0.318 -7.941 -1.607 1.00 0.00 H new ATOM 1053 N HIS A 486 -2.840 -11.461 0.069 1.00 0.00 N ATOM 1054 CA HIS A 486 -4.004 -11.803 0.868 1.00 0.00 C ATOM 1055 C HIS A 486 -3.726 -13.081 1.660 1.00 0.00 C ATOM 1056 O HIS A 486 -4.645 -13.690 2.205 1.00 0.00 O ATOM 1057 CB HIS A 486 -5.254 -11.908 -0.009 1.00 0.00 C ATOM 1058 CG HIS A 486 -4.978 -12.384 -1.417 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -4.049 -13.260 -1.895 1.00 0.00 N flip ATOM 1060 CD2 HIS A 486 -5.703 -11.947 -2.510 1.00 0.00 C flip ATOM 1061 CE1 HIS A 486 -4.200 -13.355 -3.210 1.00 0.00 C flip ATOM 1062 NE2 HIS A 486 -5.225 -12.541 -3.593 1.00 0.00 N flip ATOM 0 H HIS A 486 -2.668 -12.083 -0.721 1.00 0.00 H new ATOM 0 HA HIS A 486 -4.202 -11.008 1.587 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -5.960 -12.591 0.463 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -5.737 -10.932 -0.054 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -6.520 -11.241 -2.485 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -3.609 -13.975 -3.868 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -5.564 -12.412 -4.546 1.00 0.00 H new ATOM 1070 N CYS A 487 -2.454 -13.450 1.701 1.00 0.00 N ATOM 1071 CA CYS A 487 -2.043 -14.645 2.417 1.00 0.00 C ATOM 1072 C CYS A 487 -3.039 -15.761 2.098 1.00 0.00 C ATOM 1073 O CYS A 487 -3.236 -16.671 2.901 1.00 0.00 O ATOM 1074 CB CYS A 487 -1.932 -14.392 3.921 1.00 0.00 C ATOM 1075 SG CYS A 487 -1.484 -15.862 4.915 1.00 0.00 S ATOM 0 H CYS A 487 -1.694 -12.941 1.249 1.00 0.00 H new ATOM 0 HA CYS A 487 -1.047 -14.944 2.091 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -1.186 -13.615 4.091 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -2.885 -14.004 4.281 1.00 0.00 H new ATOM 1080 N GLU A 488 -3.641 -15.657 0.923 1.00 0.00 N ATOM 1081 CA GLU A 488 -4.611 -16.647 0.487 1.00 0.00 C ATOM 1082 C GLU A 488 -3.953 -17.658 -0.453 1.00 0.00 C ATOM 1083 O GLU A 488 -4.609 -18.580 -0.937 1.00 0.00 O ATOM 1084 CB GLU A 488 -5.814 -15.979 -0.181 1.00 0.00 C ATOM 1085 CG GLU A 488 -6.851 -17.020 -0.610 1.00 0.00 C ATOM 1086 CD GLU A 488 -8.190 -16.356 -0.943 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -8.483 -16.109 -2.121 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -8.936 -16.096 0.077 1.00 0.00 O ATOM 0 H GLU A 488 -3.476 -14.901 0.258 1.00 0.00 H new ATOM 0 HA GLU A 488 -4.975 -17.181 1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -6.270 -15.269 0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -5.483 -15.411 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -6.485 -17.566 -1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -6.991 -17.749 0.188 1.00 0.00 H new ATOM 1096 N VAL A 489 -2.665 -17.453 -0.683 1.00 0.00 N ATOM 1097 CA VAL A 489 -1.908 -18.335 -1.556 1.00 0.00 C ATOM 1098 C VAL A 489 -1.077 -19.297 -0.706 1.00 0.00 C ATOM 1099 O VAL A 489 -0.303 -18.866 0.147 1.00 0.00 O ATOM 1100 CB VAL A 489 -1.064 -17.511 -2.528 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -1.479 -16.039 -2.504 1.00 0.00 C ATOM 1102 CG2 VAL A 489 0.428 -17.665 -2.223 1.00 0.00 C ATOM 0 H VAL A 489 -2.125 -16.688 -0.279 1.00 0.00 H new ATOM 0 HA VAL A 489 -2.580 -18.939 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 489 -1.243 -17.892 -3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -0.863 -15.476 -3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -2.527 -15.952 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -1.344 -15.639 -1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 489 1.007 -17.069 -2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 489 0.629 -17.323 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 489 0.712 -18.713 -2.315 1.00 0.00 H new ATOM 1112 N ASN A 490 -1.264 -20.582 -0.968 1.00 0.00 N ATOM 1113 CA ASN A 490 -0.539 -21.608 -0.238 1.00 0.00 C ATOM 1114 C ASN A 490 0.944 -21.542 -0.609 1.00 0.00 C ATOM 1115 O ASN A 490 1.288 -21.253 -1.753 1.00 0.00 O ATOM 1116 CB ASN A 490 -1.054 -23.004 -0.594 1.00 0.00 C ATOM 1117 CG ASN A 490 -0.275 -24.085 0.159 1.00 0.00 C ATOM 1118 OD1 ASN A 490 0.715 -24.618 -0.315 1.00 0.00 O ATOM 1119 ND2 ASN A 490 -0.776 -24.377 1.356 1.00 0.00 N ATOM 0 H ASN A 490 -1.907 -20.936 -1.676 1.00 0.00 H new ATOM 0 HA ASN A 490 -0.685 -21.430 0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -2.114 -23.078 -0.350 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -0.962 -23.166 -1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 490 -0.328 -25.085 1.937 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -1.608 -23.893 1.693 1.00 0.00 H new ATOM 1126 N THR A 491 1.781 -21.815 0.381 1.00 0.00 N ATOM 1127 CA THR A 491 3.219 -21.790 0.172 1.00 0.00 C ATOM 1128 C THR A 491 3.593 -22.598 -1.073 1.00 0.00 C ATOM 1129 O THR A 491 2.722 -23.166 -1.731 1.00 0.00 O ATOM 1130 CB THR A 491 3.890 -22.298 1.450 1.00 0.00 C ATOM 1131 OG1 THR A 491 5.269 -21.990 1.262 1.00 0.00 O ATOM 1132 CG2 THR A 491 3.860 -23.823 1.561 1.00 0.00 C ATOM 0 H THR A 491 1.491 -22.054 1.329 1.00 0.00 H new ATOM 0 HA THR A 491 3.573 -20.777 -0.019 1.00 0.00 H new ATOM 0 HB THR A 491 3.396 -21.862 2.318 1.00 0.00 H new ATOM 0 HG1 THR A 491 5.780 -22.284 2.045 1.00 0.00 H new ATOM 0 HG21 THR A 491 4.349 -24.130 2.485 1.00 0.00 H new ATOM 0 HG22 THR A 491 2.826 -24.167 1.566 1.00 0.00 H new ATOM 0 HG23 THR A 491 4.384 -24.260 0.711 1.00 0.00 H new ATOM 1140 N ASP A 492 4.886 -22.623 -1.357 1.00 0.00 N ATOM 1141 CA ASP A 492 5.385 -23.351 -2.510 1.00 0.00 C ATOM 1142 C ASP A 492 5.714 -24.787 -2.097 1.00 0.00 C ATOM 1143 O ASP A 492 5.695 -25.117 -0.912 1.00 0.00 O ATOM 1144 CB ASP A 492 6.662 -22.712 -3.056 1.00 0.00 C ATOM 1145 CG ASP A 492 7.080 -23.187 -4.449 1.00 0.00 C ATOM 1146 OD1 ASP A 492 6.234 -23.416 -5.325 1.00 0.00 O ATOM 1147 OD2 ASP A 492 8.350 -23.322 -4.620 1.00 0.00 O ATOM 0 H ASP A 492 5.604 -22.150 -0.808 1.00 0.00 H new ATOM 0 HA ASP A 492 4.614 -23.330 -3.281 1.00 0.00 H new ATOM 0 HB2 ASP A 492 6.526 -21.631 -3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 492 7.477 -22.913 -2.361 1.00 0.00 H new ATOM 1153 N GLU A 493 6.009 -25.604 -3.098 1.00 0.00 N ATOM 1154 CA GLU A 493 6.343 -26.997 -2.854 1.00 0.00 C ATOM 1155 C GLU A 493 7.340 -27.495 -3.901 1.00 0.00 C ATOM 1156 O GLU A 493 7.492 -28.701 -4.095 1.00 0.00 O ATOM 1157 CB GLU A 493 5.085 -27.868 -2.837 1.00 0.00 C ATOM 1158 CG GLU A 493 4.147 -27.498 -3.989 1.00 0.00 C ATOM 1159 CD GLU A 493 3.166 -26.401 -3.565 1.00 0.00 C ATOM 1160 OE1 GLU A 493 3.540 -25.221 -3.513 1.00 0.00 O ATOM 1161 OE2 GLU A 493 1.975 -26.814 -3.286 1.00 0.00 O ATOM 0 H GLU A 493 6.024 -25.328 -4.080 1.00 0.00 H new ATOM 0 HA GLU A 493 6.810 -27.071 -1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 493 5.365 -28.919 -2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 493 4.566 -27.745 -1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 493 4.731 -27.158 -4.844 1.00 0.00 H new ATOM 0 HG3 GLU A 493 3.595 -28.381 -4.311 1.00 0.00 H new ATOM 1169 N CYS A 494 7.995 -26.543 -4.549 1.00 0.00 N ATOM 1170 CA CYS A 494 8.975 -26.871 -5.571 1.00 0.00 C ATOM 1171 C CYS A 494 10.331 -26.316 -5.132 1.00 0.00 C ATOM 1172 O CYS A 494 11.170 -25.985 -5.967 1.00 0.00 O ATOM 1173 CB CYS A 494 8.557 -26.338 -6.944 1.00 0.00 C ATOM 1174 SG CYS A 494 8.331 -27.621 -8.229 1.00 0.00 S ATOM 0 H CYS A 494 7.866 -25.544 -4.386 1.00 0.00 H new ATOM 0 HA CYS A 494 9.045 -27.953 -5.679 1.00 0.00 H new ATOM 0 HB2 CYS A 494 7.624 -25.785 -6.835 1.00 0.00 H new ATOM 0 HB3 CYS A 494 9.310 -25.629 -7.287 1.00 0.00 H new ATOM 1179 N ALA A 495 10.504 -26.234 -3.821 1.00 0.00 N ATOM 1180 CA ALA A 495 11.744 -25.725 -3.260 1.00 0.00 C ATOM 1181 C ALA A 495 12.874 -26.714 -3.554 1.00 0.00 C ATOM 1182 O ALA A 495 14.050 -26.378 -3.415 1.00 0.00 O ATOM 1183 CB ALA A 495 11.564 -25.477 -1.762 1.00 0.00 C ATOM 0 H ALA A 495 9.806 -26.512 -3.131 1.00 0.00 H new ATOM 0 HA ALA A 495 12.010 -24.772 -3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 495 12.495 -25.095 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 495 10.770 -24.747 -1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 495 11.299 -26.412 -1.268 1.00 0.00 H new ATOM 1189 N SER A 496 12.479 -27.913 -3.958 1.00 0.00 N ATOM 1190 CA SER A 496 13.444 -28.952 -4.273 1.00 0.00 C ATOM 1191 C SER A 496 13.220 -29.459 -5.699 1.00 0.00 C ATOM 1192 O SER A 496 13.795 -30.469 -6.100 1.00 0.00 O ATOM 1193 CB SER A 496 13.351 -30.111 -3.277 1.00 0.00 C ATOM 1194 OG SER A 496 14.624 -30.448 -2.732 1.00 0.00 O ATOM 0 H SER A 496 11.504 -28.188 -4.074 1.00 0.00 H new ATOM 0 HA SER A 496 14.444 -28.524 -4.199 1.00 0.00 H new ATOM 0 HB2 SER A 496 12.670 -29.842 -2.469 1.00 0.00 H new ATOM 0 HB3 SER A 496 12.927 -30.983 -3.774 1.00 0.00 H new ATOM 0 HG SER A 496 14.523 -31.190 -2.100 1.00 0.00 H new ATOM 1200 N SER A 497 12.382 -28.733 -6.426 1.00 0.00 N ATOM 1201 CA SER A 497 12.075 -29.096 -7.798 1.00 0.00 C ATOM 1202 C SER A 497 12.063 -27.847 -8.681 1.00 0.00 C ATOM 1203 O SER A 497 11.109 -27.071 -8.651 1.00 0.00 O ATOM 1204 CB SER A 497 10.730 -29.822 -7.888 1.00 0.00 C ATOM 1205 OG SER A 497 10.885 -31.238 -7.842 1.00 0.00 O ATOM 0 H SER A 497 11.907 -27.895 -6.090 1.00 0.00 H new ATOM 0 HA SER A 497 12.850 -29.776 -8.153 1.00 0.00 H new ATOM 0 HB2 SER A 497 10.089 -29.500 -7.068 1.00 0.00 H new ATOM 0 HB3 SER A 497 10.228 -29.542 -8.814 1.00 0.00 H new ATOM 0 HG SER A 497 10.005 -31.665 -7.900 1.00 0.00 H new ATOM 1211 N PRO A 498 13.163 -27.685 -9.464 1.00 0.00 N ATOM 1212 CA PRO A 498 13.289 -26.543 -10.353 1.00 0.00 C ATOM 1213 C PRO A 498 12.393 -26.705 -11.583 1.00 0.00 C ATOM 1214 O PRO A 498 11.854 -25.726 -12.096 1.00 0.00 O ATOM 1215 CB PRO A 498 14.766 -26.476 -10.700 1.00 0.00 C ATOM 1216 CG PRO A 498 15.336 -27.846 -10.372 1.00 0.00 C ATOM 1217 CD PRO A 498 14.312 -28.584 -9.525 1.00 0.00 C ATOM 0 HA PRO A 498 12.959 -25.612 -9.892 1.00 0.00 H new ATOM 0 HB2 PRO A 498 14.909 -26.236 -11.754 1.00 0.00 H new ATOM 0 HB3 PRO A 498 15.267 -25.697 -10.125 1.00 0.00 H new ATOM 0 HG2 PRO A 498 15.547 -28.401 -11.286 1.00 0.00 H new ATOM 0 HG3 PRO A 498 16.279 -27.749 -9.833 1.00 0.00 H new ATOM 0 HD2 PRO A 498 14.043 -29.540 -9.973 1.00 0.00 H new ATOM 0 HD3 PRO A 498 14.701 -28.797 -8.529 1.00 0.00 H new ATOM 1225 N CYS A 499 12.263 -27.948 -12.022 1.00 0.00 N ATOM 1226 CA CYS A 499 11.442 -28.251 -13.182 1.00 0.00 C ATOM 1227 C CYS A 499 12.017 -27.503 -14.386 1.00 0.00 C ATOM 1228 O CYS A 499 11.394 -27.451 -15.445 1.00 0.00 O ATOM 1229 CB CYS A 499 9.972 -27.901 -12.941 1.00 0.00 C ATOM 1230 SG CYS A 499 8.808 -29.298 -13.144 1.00 0.00 S ATOM 0 H CYS A 499 12.713 -28.758 -11.595 1.00 0.00 H new ATOM 0 HA CYS A 499 11.465 -29.323 -13.377 1.00 0.00 H new ATOM 0 HB2 CYS A 499 9.868 -27.504 -11.931 1.00 0.00 H new ATOM 0 HB3 CYS A 499 9.685 -27.105 -13.628 1.00 0.00 H new ATOM 1235 N LEU A 500 13.200 -26.940 -14.183 1.00 0.00 N ATOM 1236 CA LEU A 500 13.867 -26.197 -15.238 1.00 0.00 C ATOM 1237 C LEU A 500 12.866 -25.243 -15.896 1.00 0.00 C ATOM 1238 O LEU A 500 11.720 -25.146 -15.460 1.00 0.00 O ATOM 1239 CB LEU A 500 14.541 -27.154 -16.223 1.00 0.00 C ATOM 1240 CG LEU A 500 15.895 -26.703 -16.776 1.00 0.00 C ATOM 1241 CD1 LEU A 500 16.778 -26.130 -15.664 1.00 0.00 C ATOM 1242 CD2 LEU A 500 16.587 -27.840 -17.529 1.00 0.00 C ATOM 0 H LEU A 500 13.713 -26.984 -13.303 1.00 0.00 H new ATOM 0 HA LEU A 500 14.668 -25.584 -14.824 1.00 0.00 H new ATOM 0 HB2 LEU A 500 14.675 -28.117 -15.730 1.00 0.00 H new ATOM 0 HB3 LEU A 500 13.864 -27.317 -17.062 1.00 0.00 H new ATOM 0 HG LEU A 500 15.721 -25.902 -17.494 1.00 0.00 H new ATOM 0 HD11 LEU A 500 17.734 -25.817 -16.083 1.00 0.00 H new ATOM 0 HD12 LEU A 500 16.282 -25.271 -15.211 1.00 0.00 H new ATOM 0 HD13 LEU A 500 16.947 -26.893 -14.904 1.00 0.00 H new ATOM 0 HD21 LEU A 500 17.547 -27.492 -17.911 1.00 0.00 H new ATOM 0 HD22 LEU A 500 16.749 -28.679 -16.852 1.00 0.00 H new ATOM 0 HD23 LEU A 500 15.960 -28.160 -18.361 1.00 0.00 H new ATOM 1254 N HIS A 501 13.336 -24.565 -16.931 1.00 0.00 N ATOM 1255 CA HIS A 501 12.497 -23.624 -17.652 1.00 0.00 C ATOM 1256 C HIS A 501 11.527 -24.388 -18.555 1.00 0.00 C ATOM 1257 O HIS A 501 10.572 -23.812 -19.074 1.00 0.00 O ATOM 1258 CB HIS A 501 13.351 -22.612 -18.419 1.00 0.00 C ATOM 1259 CG HIS A 501 13.482 -22.912 -19.894 1.00 0.00 C ATOM 1260 ND1 HIS A 501 13.091 -22.022 -20.877 1.00 0.00 N ATOM 1261 CD2 HIS A 501 13.966 -24.011 -20.539 1.00 0.00 C ATOM 1262 CE1 HIS A 501 13.332 -22.570 -22.058 1.00 0.00 C ATOM 1263 NE2 HIS A 501 13.875 -23.804 -21.846 1.00 0.00 N ATOM 0 H HIS A 501 14.288 -24.648 -17.288 1.00 0.00 H new ATOM 0 HA HIS A 501 11.901 -23.047 -16.945 1.00 0.00 H new ATOM 0 HB2 HIS A 501 12.917 -21.620 -18.298 1.00 0.00 H new ATOM 0 HB3 HIS A 501 14.346 -22.581 -17.975 1.00 0.00 H new ATOM 0 HD2 HIS A 501 14.357 -24.900 -20.066 1.00 0.00 H new ATOM 0 HE1 HIS A 501 13.134 -22.120 -23.020 1.00 0.00 H new ATOM 0 HE2 HIS A 501 14.163 -24.459 -22.573 1.00 0.00 H new ATOM 1271 N ASN A 502 11.807 -25.673 -18.716 1.00 0.00 N ATOM 1272 CA ASN A 502 10.971 -26.521 -19.549 1.00 0.00 C ATOM 1273 C ASN A 502 9.628 -26.748 -18.852 1.00 0.00 C ATOM 1274 O ASN A 502 8.691 -27.266 -19.456 1.00 0.00 O ATOM 1275 CB ASN A 502 11.624 -27.886 -19.774 1.00 0.00 C ATOM 1276 CG ASN A 502 11.558 -28.741 -18.508 1.00 0.00 C ATOM 1277 OD1 ASN A 502 12.529 -28.904 -17.786 1.00 0.00 O ATOM 1278 ND2 ASN A 502 10.363 -29.278 -18.279 1.00 0.00 N ATOM 0 H ASN A 502 12.600 -26.147 -18.284 1.00 0.00 H new ATOM 0 HA ASN A 502 10.836 -26.023 -20.509 1.00 0.00 H new ATOM 0 HB2 ASN A 502 11.122 -28.402 -20.592 1.00 0.00 H new ATOM 0 HB3 ASN A 502 12.664 -27.751 -20.072 1.00 0.00 H new ATOM 0 HD21 ASN A 502 10.217 -29.866 -17.459 1.00 0.00 H new ATOM 0 HD22 ASN A 502 9.592 -29.101 -18.924 1.00 0.00 H new ATOM 1285 N GLY A 503 9.579 -26.351 -17.589 1.00 0.00 N ATOM 1286 CA GLY A 503 8.367 -26.505 -16.803 1.00 0.00 C ATOM 1287 C GLY A 503 8.321 -25.488 -15.660 1.00 0.00 C ATOM 1288 O GLY A 503 9.320 -25.274 -14.975 1.00 0.00 O ATOM 0 H GLY A 503 10.359 -25.923 -17.091 1.00 0.00 H new ATOM 0 HA2 GLY A 503 7.495 -26.376 -17.444 1.00 0.00 H new ATOM 0 HA3 GLY A 503 8.318 -27.516 -16.397 1.00 0.00 H new ATOM 1292 N ARG A 504 7.152 -24.890 -15.490 1.00 0.00 N ATOM 1293 CA ARG A 504 6.963 -23.901 -14.442 1.00 0.00 C ATOM 1294 C ARG A 504 6.080 -24.470 -13.328 1.00 0.00 C ATOM 1295 O ARG A 504 4.902 -24.743 -13.544 1.00 0.00 O ATOM 1296 CB ARG A 504 6.317 -22.629 -14.995 1.00 0.00 C ATOM 1297 CG ARG A 504 7.365 -21.538 -15.227 1.00 0.00 C ATOM 1298 CD ARG A 504 7.605 -20.730 -13.951 1.00 0.00 C ATOM 1299 NE ARG A 504 9.054 -20.496 -13.765 1.00 0.00 N ATOM 1300 CZ ARG A 504 9.573 -19.615 -12.881 1.00 0.00 C ATOM 1301 NH1 ARG A 504 8.762 -18.879 -12.093 1.00 0.00 N ATOM 1302 NH2 ARG A 504 10.883 -19.487 -12.801 1.00 0.00 N ATOM 0 H ARG A 504 6.326 -25.071 -16.060 1.00 0.00 H new ATOM 0 HA ARG A 504 7.945 -23.651 -14.041 1.00 0.00 H new ATOM 0 HB2 ARG A 504 5.807 -22.854 -15.932 1.00 0.00 H new ATOM 0 HB3 ARG A 504 5.560 -22.269 -14.298 1.00 0.00 H new ATOM 0 HG2 ARG A 504 8.300 -21.991 -15.556 1.00 0.00 H new ATOM 0 HG3 ARG A 504 7.034 -20.874 -16.025 1.00 0.00 H new ATOM 0 HD2 ARG A 504 7.079 -19.777 -14.010 1.00 0.00 H new ATOM 0 HD3 ARG A 504 7.201 -21.264 -13.091 1.00 0.00 H new ATOM 0 HE ARG A 504 9.702 -21.034 -14.340 1.00 0.00 H new ATOM 0 HH11 ARG A 504 7.750 -18.985 -12.162 1.00 0.00 H new ATOM 0 HH12 ARG A 504 9.161 -18.216 -11.428 1.00 0.00 H new ATOM 0 HH21 ARG A 504 11.488 -20.048 -13.401 1.00 0.00 H new ATOM 0 HH22 ARG A 504 11.291 -18.827 -12.139 1.00 0.00 H new ATOM 1315 N CYS A 505 6.687 -24.630 -12.161 1.00 0.00 N ATOM 1316 CA CYS A 505 5.971 -25.160 -11.013 1.00 0.00 C ATOM 1317 C CYS A 505 4.968 -24.106 -10.543 1.00 0.00 C ATOM 1318 O CYS A 505 5.338 -23.152 -9.858 1.00 0.00 O ATOM 1319 CB CYS A 505 6.928 -25.577 -9.893 1.00 0.00 C ATOM 1320 SG CYS A 505 6.482 -27.137 -9.045 1.00 0.00 S ATOM 0 H CYS A 505 7.666 -24.402 -11.986 1.00 0.00 H new ATOM 0 HA CYS A 505 5.436 -26.065 -11.301 1.00 0.00 H new ATOM 0 HB2 CYS A 505 7.930 -25.680 -10.310 1.00 0.00 H new ATOM 0 HB3 CYS A 505 6.971 -24.777 -9.154 1.00 0.00 H new ATOM 1325 N LEU A 506 3.717 -24.312 -10.927 1.00 0.00 N ATOM 1326 CA LEU A 506 2.658 -23.390 -10.553 1.00 0.00 C ATOM 1327 C LEU A 506 2.304 -23.597 -9.080 1.00 0.00 C ATOM 1328 O LEU A 506 2.112 -24.730 -8.637 1.00 0.00 O ATOM 1329 CB LEU A 506 1.463 -23.536 -11.499 1.00 0.00 C ATOM 1330 CG LEU A 506 1.481 -22.647 -12.743 1.00 0.00 C ATOM 1331 CD1 LEU A 506 0.487 -23.151 -13.791 1.00 0.00 C ATOM 1332 CD2 LEU A 506 1.232 -21.182 -12.376 1.00 0.00 C ATOM 0 H LEU A 506 3.413 -25.104 -11.493 1.00 0.00 H new ATOM 0 HA LEU A 506 2.995 -22.359 -10.658 1.00 0.00 H new ATOM 0 HB2 LEU A 506 1.404 -24.576 -11.821 1.00 0.00 H new ATOM 0 HB3 LEU A 506 0.553 -23.324 -10.938 1.00 0.00 H new ATOM 0 HG LEU A 506 2.475 -22.703 -13.187 1.00 0.00 H new ATOM 0 HD11 LEU A 506 0.520 -22.501 -14.666 1.00 0.00 H new ATOM 0 HD12 LEU A 506 0.751 -24.167 -14.084 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -0.519 -23.144 -13.371 1.00 0.00 H new ATOM 0 HD21 LEU A 506 1.250 -20.572 -13.279 1.00 0.00 H new ATOM 0 HD22 LEU A 506 0.259 -21.088 -11.894 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.010 -20.841 -11.693 1.00 0.00 H new ATOM 1344 N ASP A 507 2.229 -22.488 -8.360 1.00 0.00 N ATOM 1345 CA ASP A 507 1.902 -22.534 -6.944 1.00 0.00 C ATOM 1346 C ASP A 507 0.382 -22.600 -6.780 1.00 0.00 C ATOM 1347 O ASP A 507 -0.275 -21.572 -6.617 1.00 0.00 O ATOM 1348 CB ASP A 507 2.400 -21.280 -6.224 1.00 0.00 C ATOM 1349 CG ASP A 507 1.618 -20.903 -4.965 1.00 0.00 C ATOM 1350 OD1 ASP A 507 1.549 -19.725 -4.583 1.00 0.00 O ATOM 1351 OD2 ASP A 507 1.054 -21.892 -4.357 1.00 0.00 O ATOM 0 H ASP A 507 2.389 -21.551 -8.730 1.00 0.00 H new ATOM 0 HA ASP A 507 2.383 -23.412 -6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 507 3.446 -21.426 -5.954 1.00 0.00 H new ATOM 0 HB3 ASP A 507 2.365 -20.442 -6.920 1.00 0.00 H new ATOM 1357 N LYS A 508 -0.133 -23.820 -6.826 1.00 0.00 N ATOM 1358 CA LYS A 508 -1.562 -24.035 -6.682 1.00 0.00 C ATOM 1359 C LYS A 508 -1.903 -24.202 -5.200 1.00 0.00 C ATOM 1360 O LYS A 508 -1.189 -24.885 -4.469 1.00 0.00 O ATOM 1361 CB LYS A 508 -2.019 -25.207 -7.554 1.00 0.00 C ATOM 1362 CG LYS A 508 -2.758 -24.710 -8.798 1.00 0.00 C ATOM 1363 CD LYS A 508 -3.529 -25.848 -9.470 1.00 0.00 C ATOM 1364 CE LYS A 508 -2.593 -26.999 -9.842 1.00 0.00 C ATOM 1365 NZ LYS A 508 -3.269 -27.940 -10.764 1.00 0.00 N ATOM 0 H LYS A 508 0.415 -24.670 -6.961 1.00 0.00 H new ATOM 0 HA LYS A 508 -2.115 -23.167 -7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -1.155 -25.801 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -2.672 -25.862 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -3.448 -23.913 -8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -2.044 -24.284 -9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -4.308 -26.210 -8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 508 -4.027 -25.476 -10.365 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -1.692 -26.605 -10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -2.279 -27.526 -8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -2.620 -28.715 -11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -4.116 -28.329 -10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -3.547 -27.437 -11.631 1.00 0.00 H new ATOM 1378 N ILE A 509 -2.995 -23.566 -4.802 1.00 0.00 N ATOM 1379 CA ILE A 509 -3.439 -23.636 -3.420 1.00 0.00 C ATOM 1380 C ILE A 509 -3.968 -25.043 -3.128 1.00 0.00 C ATOM 1381 O ILE A 509 -5.161 -25.223 -2.891 1.00 0.00 O ATOM 1382 CB ILE A 509 -4.450 -22.526 -3.124 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -3.990 -21.195 -3.723 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -4.721 -22.416 -1.623 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -5.037 -20.639 -4.691 1.00 0.00 C ATOM 0 H ILE A 509 -3.585 -23.000 -5.412 1.00 0.00 H new ATOM 0 HA ILE A 509 -2.602 -23.462 -2.743 1.00 0.00 H new ATOM 0 HB ILE A 509 -5.394 -22.787 -3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -3.809 -20.476 -2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -3.044 -21.335 -4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -5.443 -21.620 -1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -5.122 -23.360 -1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -3.791 -22.189 -1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -4.686 -19.693 -5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -5.197 -21.350 -5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -5.975 -20.477 -4.159 1.00 0.00 H new ATOM 1397 N ASN A 510 -3.053 -26.001 -3.156 1.00 0.00 N ATOM 1398 CA ASN A 510 -3.413 -27.385 -2.899 1.00 0.00 C ATOM 1399 C ASN A 510 -2.291 -28.299 -3.393 1.00 0.00 C ATOM 1400 O ASN A 510 -2.073 -29.376 -2.840 1.00 0.00 O ATOM 1401 CB ASN A 510 -4.696 -27.768 -3.639 1.00 0.00 C ATOM 1402 CG ASN A 510 -5.804 -28.149 -2.655 1.00 0.00 C ATOM 1403 OD1 ASN A 510 -5.885 -29.267 -2.176 1.00 0.00 O ATOM 1404 ND2 ASN A 510 -6.650 -27.160 -2.384 1.00 0.00 N ATOM 0 H ASN A 510 -2.064 -25.846 -3.352 1.00 0.00 H new ATOM 0 HA ASN A 510 -3.569 -27.499 -1.826 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -5.026 -26.934 -4.258 1.00 0.00 H new ATOM 0 HB3 ASN A 510 -4.497 -28.604 -4.310 1.00 0.00 H new ATOM 0 HD21 ASN A 510 -7.425 -27.314 -1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 510 -6.524 -26.247 -2.821 1.00 0.00 H new ATOM 1411 N GLU A 511 -1.607 -27.836 -4.429 1.00 0.00 N ATOM 1412 CA GLU A 511 -0.512 -28.600 -5.004 1.00 0.00 C ATOM 1413 C GLU A 511 0.241 -27.754 -6.033 1.00 0.00 C ATOM 1414 O GLU A 511 0.003 -26.553 -6.149 1.00 0.00 O ATOM 1415 CB GLU A 511 -1.019 -29.900 -5.629 1.00 0.00 C ATOM 1416 CG GLU A 511 -0.582 -31.112 -4.804 1.00 0.00 C ATOM 1417 CD GLU A 511 -0.152 -32.267 -5.711 1.00 0.00 C ATOM 1418 OE1 GLU A 511 0.990 -32.742 -5.611 1.00 0.00 O ATOM 1419 OE2 GLU A 511 -1.051 -32.672 -6.542 1.00 0.00 O ATOM 0 H GLU A 511 -1.789 -26.942 -4.885 1.00 0.00 H new ATOM 0 HA GLU A 511 0.179 -28.866 -4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 511 -2.107 -29.875 -5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 511 -0.638 -29.991 -6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 511 0.243 -30.832 -4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 511 -1.402 -31.435 -4.163 1.00 0.00 H new ATOM 1427 N PHE A 512 1.133 -28.415 -6.755 1.00 0.00 N ATOM 1428 CA PHE A 512 1.924 -27.740 -7.771 1.00 0.00 C ATOM 1429 C PHE A 512 1.680 -28.353 -9.152 1.00 0.00 C ATOM 1430 O PHE A 512 1.474 -29.559 -9.272 1.00 0.00 O ATOM 1431 CB PHE A 512 3.394 -27.929 -7.394 1.00 0.00 C ATOM 1432 CG PHE A 512 3.840 -29.392 -7.342 1.00 0.00 C ATOM 1433 CD1 PHE A 512 3.458 -30.183 -6.305 1.00 0.00 C ATOM 1434 CD2 PHE A 512 4.618 -29.901 -8.335 1.00 0.00 C ATOM 1435 CE1 PHE A 512 3.871 -31.541 -6.258 1.00 0.00 C ATOM 1436 CE2 PHE A 512 5.032 -31.258 -8.288 1.00 0.00 C ATOM 1437 CZ PHE A 512 4.650 -32.049 -7.250 1.00 0.00 C ATOM 0 H PHE A 512 1.326 -29.412 -6.657 1.00 0.00 H new ATOM 0 HA PHE A 512 1.649 -26.686 -7.817 1.00 0.00 H new ATOM 0 HB2 PHE A 512 4.015 -27.396 -8.114 1.00 0.00 H new ATOM 0 HB3 PHE A 512 3.571 -27.471 -6.421 1.00 0.00 H new ATOM 0 HD1 PHE A 512 2.840 -29.779 -5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 512 4.921 -29.272 -9.159 1.00 0.00 H new ATOM 0 HE1 PHE A 512 3.566 -32.170 -5.435 1.00 0.00 H new ATOM 0 HE2 PHE A 512 5.650 -31.662 -9.076 1.00 0.00 H new ATOM 0 HZ PHE A 512 4.965 -33.081 -7.213 1.00 0.00 H new ATOM 1447 N GLN A 513 1.713 -27.492 -10.158 1.00 0.00 N ATOM 1448 CA GLN A 513 1.499 -27.933 -11.527 1.00 0.00 C ATOM 1449 C GLN A 513 2.627 -27.430 -12.430 1.00 0.00 C ATOM 1450 O GLN A 513 2.711 -26.237 -12.717 1.00 0.00 O ATOM 1451 CB GLN A 513 0.135 -27.473 -12.045 1.00 0.00 C ATOM 1452 CG GLN A 513 -0.047 -27.844 -13.517 1.00 0.00 C ATOM 1453 CD GLN A 513 -0.481 -29.305 -13.664 1.00 0.00 C ATOM 1454 OE1 GLN A 513 0.329 -30.209 -13.799 1.00 0.00 O ATOM 1455 NE2 GLN A 513 -1.799 -29.484 -13.631 1.00 0.00 N ATOM 0 H GLN A 513 1.884 -26.492 -10.053 1.00 0.00 H new ATOM 0 HA GLN A 513 1.507 -29.023 -11.542 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -0.656 -27.930 -11.451 1.00 0.00 H new ATOM 0 HB3 GLN A 513 0.041 -26.394 -11.924 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -0.793 -27.192 -13.971 1.00 0.00 H new ATOM 0 HG3 GLN A 513 0.887 -27.682 -14.055 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -2.420 -28.683 -13.515 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -2.189 -30.422 -13.721 1.00 0.00 H new ATOM 1464 N CYS A 514 3.465 -28.364 -12.853 1.00 0.00 N ATOM 1465 CA CYS A 514 4.584 -28.031 -13.717 1.00 0.00 C ATOM 1466 C CYS A 514 4.057 -27.872 -15.145 1.00 0.00 C ATOM 1467 O CYS A 514 4.118 -28.808 -15.941 1.00 0.00 O ATOM 1468 CB CYS A 514 5.697 -29.078 -13.633 1.00 0.00 C ATOM 1469 SG CYS A 514 7.335 -28.505 -14.210 1.00 0.00 S ATOM 0 H CYS A 514 3.391 -29.353 -12.613 1.00 0.00 H new ATOM 0 HA CYS A 514 5.033 -27.093 -13.389 1.00 0.00 H new ATOM 0 HB2 CYS A 514 5.787 -29.409 -12.599 1.00 0.00 H new ATOM 0 HB3 CYS A 514 5.404 -29.947 -14.222 1.00 0.00 H new ATOM 1474 N GLU A 515 3.553 -26.679 -15.427 1.00 0.00 N ATOM 1475 CA GLU A 515 3.017 -26.386 -16.745 1.00 0.00 C ATOM 1476 C GLU A 515 4.114 -26.507 -17.803 1.00 0.00 C ATOM 1477 O GLU A 515 5.298 -26.542 -17.473 1.00 0.00 O ATOM 1478 CB GLU A 515 2.372 -24.999 -16.778 1.00 0.00 C ATOM 1479 CG GLU A 515 3.437 -23.901 -16.829 1.00 0.00 C ATOM 1480 CD GLU A 515 3.554 -23.315 -18.238 1.00 0.00 C ATOM 1481 OE1 GLU A 515 2.532 -22.998 -18.863 1.00 0.00 O ATOM 1482 OE2 GLU A 515 4.759 -23.193 -18.679 1.00 0.00 O ATOM 0 H GLU A 515 3.505 -25.904 -14.765 1.00 0.00 H new ATOM 0 HA GLU A 515 2.240 -27.117 -16.971 1.00 0.00 H new ATOM 0 HB2 GLU A 515 1.719 -24.918 -17.647 1.00 0.00 H new ATOM 0 HB3 GLU A 515 1.747 -24.864 -15.896 1.00 0.00 H new ATOM 0 HG2 GLU A 515 3.184 -23.111 -16.123 1.00 0.00 H new ATOM 0 HG3 GLU A 515 4.400 -24.308 -16.520 1.00 0.00 H new ATOM 1490 N CYS A 516 3.681 -26.566 -19.055 1.00 0.00 N ATOM 1491 CA CYS A 516 4.612 -26.682 -20.164 1.00 0.00 C ATOM 1492 C CYS A 516 4.630 -25.350 -20.917 1.00 0.00 C ATOM 1493 O CYS A 516 3.610 -24.927 -21.461 1.00 0.00 O ATOM 1494 CB CYS A 516 4.257 -27.853 -21.082 1.00 0.00 C ATOM 1495 SG CYS A 516 2.464 -28.081 -21.376 1.00 0.00 S ATOM 0 H CYS A 516 2.698 -26.536 -19.325 1.00 0.00 H new ATOM 0 HA CYS A 516 5.610 -26.896 -19.783 1.00 0.00 H new ATOM 0 HB2 CYS A 516 4.753 -27.707 -22.042 1.00 0.00 H new ATOM 0 HB3 CYS A 516 4.660 -28.770 -20.651 1.00 0.00 H new ATOM 0 HG CYS A 516 2.280 -29.096 -22.167 1.00 0.00 H new ATOM 1500 N PRO A 517 5.830 -24.711 -20.927 1.00 0.00 N ATOM 1501 CA PRO A 517 5.993 -23.435 -21.604 1.00 0.00 C ATOM 1502 C PRO A 517 6.043 -23.624 -23.122 1.00 0.00 C ATOM 1503 O PRO A 517 5.636 -24.666 -23.635 1.00 0.00 O ATOM 1504 CB PRO A 517 7.275 -22.850 -21.036 1.00 0.00 C ATOM 1505 CG PRO A 517 8.024 -24.015 -20.410 1.00 0.00 C ATOM 1506 CD PRO A 517 7.058 -25.182 -20.294 1.00 0.00 C ATOM 0 HA PRO A 517 5.154 -22.759 -21.437 1.00 0.00 H new ATOM 0 HB2 PRO A 517 7.870 -22.379 -21.819 1.00 0.00 H new ATOM 0 HB3 PRO A 517 7.058 -22.081 -20.294 1.00 0.00 H new ATOM 0 HG2 PRO A 517 8.883 -24.290 -21.022 1.00 0.00 H new ATOM 0 HG3 PRO A 517 8.408 -23.738 -19.428 1.00 0.00 H new ATOM 0 HD2 PRO A 517 7.447 -26.069 -20.795 1.00 0.00 H new ATOM 0 HD3 PRO A 517 6.888 -25.453 -19.252 1.00 0.00 H new