USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=19 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= -0.355 F(o=-4.7,f=-1.5) USER MOD Set 1.2: A 463 ASN :FLIP amide:sc= -1.16 F(o=-3.6,f=-1.5) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 ASN :FLIP amide:sc= -0.0325 F(o=-1.6,f=-0.033) USER MOD Single : A 425 HIS :FLIP no HD1:sc=-0.00417 F(o=-0.62,f=-0.0042) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -3.36! C(o=-3.4!,f=-14!) USER MOD Single : A 432 THR OG1 : rot -76:sc= -7.72! USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 439 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 442 GLN :FLIP amide:sc= -0.965! C(o=-1.7!,f=-0.97!) USER MOD Single : A 444 TYR OH : rot 180:sc= -1.98! USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.517! USER MOD Single : A 454 ASN : amide:sc= -12.9! C(o=-13!,f=-25!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN :FLIP amide:sc= -2.33 F(o=-3.6!,f=-2.3) USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 470 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 475 GLN : amide:sc= -5.47! C(o=-5.5!,f=-9.6!) 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 : no HD1:sc= -3.14! X(o=-3.1!,f=-2.7) USER MOD Single : A 490 ASN : amide:sc= -2.05 K(o=-2.1,f=-9.8!) USER MOD Single : A 491 THR OG1 : rot 180:sc= 0 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 X(o=0,f=0) USER MOD Single : A 502 ASN : amide:sc= -0.0166 X(o=-0.017,f=-0.017) USER MOD Single : A 508 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 510 ASN : amide:sc= -2.01 K(o=-2,f=-14!) USER MOD Single : A 513 GLN : amide:sc= -0.0048 X(o=-0.0048,f=0) USER MOD Single : A 516 CYS SG : rot -47:sc= -0.527 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 412 1.604 34.553 7.536 1.00 0.00 N ATOM 19 CA ASP A 412 0.458 34.181 8.348 1.00 0.00 C ATOM 20 C ASP A 412 0.936 33.389 9.566 1.00 0.00 C ATOM 21 O ASP A 412 2.135 33.189 9.749 1.00 0.00 O ATOM 22 CB ASP A 412 -0.512 33.298 7.560 1.00 0.00 C ATOM 23 CG ASP A 412 -1.942 33.265 8.102 1.00 0.00 C ATOM 24 OD1 ASP A 412 -2.584 34.311 8.277 1.00 0.00 O ATOM 25 OD2 ASP A 412 -2.403 32.085 8.352 1.00 0.00 O ATOM 0 HA ASP A 412 -0.052 35.096 8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 412 -0.539 33.646 6.527 1.00 0.00 H new ATOM 0 HB3 ASP A 412 -0.122 32.280 7.544 1.00 0.00 H new ATOM 31 N VAL A 413 -0.028 32.960 10.368 1.00 0.00 N ATOM 32 CA VAL A 413 0.279 32.193 11.564 1.00 0.00 C ATOM 33 C VAL A 413 0.281 30.701 11.222 1.00 0.00 C ATOM 34 O VAL A 413 -0.345 30.282 10.250 1.00 0.00 O ATOM 35 CB VAL A 413 -0.703 32.550 12.681 1.00 0.00 C ATOM 36 CG1 VAL A 413 -1.901 31.596 12.682 1.00 0.00 C ATOM 37 CG2 VAL A 413 -0.007 32.556 14.042 1.00 0.00 C ATOM 0 H VAL A 413 -1.022 33.129 10.213 1.00 0.00 H new ATOM 0 HA VAL A 413 1.274 32.443 11.933 1.00 0.00 H new ATOM 0 HB VAL A 413 -1.075 33.557 12.491 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -2.584 31.871 13.485 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -2.420 31.662 11.726 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -1.553 30.575 12.836 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -0.728 32.813 14.818 1.00 0.00 H new ATOM 0 HG22 VAL A 413 0.407 31.568 14.244 1.00 0.00 H new ATOM 0 HG23 VAL A 413 0.797 33.292 14.036 1.00 0.00 H new ATOM 47 N ASP A 414 0.993 29.940 12.041 1.00 0.00 N ATOM 48 CA ASP A 414 1.085 28.505 11.838 1.00 0.00 C ATOM 49 C ASP A 414 -0.046 27.813 12.602 1.00 0.00 C ATOM 50 O ASP A 414 0.175 27.268 13.683 1.00 0.00 O ATOM 51 CB ASP A 414 2.414 27.958 12.360 1.00 0.00 C ATOM 52 CG ASP A 414 2.815 26.590 11.805 1.00 0.00 C ATOM 53 OD1 ASP A 414 3.974 26.371 11.425 1.00 0.00 O ATOM 54 OD2 ASP A 414 1.867 25.717 11.769 1.00 0.00 O ATOM 0 H ASP A 414 1.511 30.291 12.846 1.00 0.00 H new ATOM 0 HA ASP A 414 1.012 28.311 10.768 1.00 0.00 H new ATOM 0 HB2 ASP A 414 3.202 28.674 12.124 1.00 0.00 H new ATOM 0 HB3 ASP A 414 2.360 27.890 13.447 1.00 0.00 H new ATOM 60 N GLU A 415 -1.231 27.857 12.011 1.00 0.00 N ATOM 61 CA GLU A 415 -2.395 27.241 12.624 1.00 0.00 C ATOM 62 C GLU A 415 -2.111 25.771 12.945 1.00 0.00 C ATOM 63 O GLU A 415 -2.833 25.153 13.726 1.00 0.00 O ATOM 64 CB GLU A 415 -3.625 27.378 11.724 1.00 0.00 C ATOM 65 CG GLU A 415 -4.033 28.845 11.574 1.00 0.00 C ATOM 66 CD GLU A 415 -3.833 29.325 10.136 1.00 0.00 C ATOM 67 OE1 GLU A 415 -3.976 28.535 9.192 1.00 0.00 O ATOM 68 OE2 GLU A 415 -3.516 30.570 10.017 1.00 0.00 O ATOM 0 H GLU A 415 -1.410 28.310 11.115 1.00 0.00 H new ATOM 0 HA GLU A 415 -2.608 27.762 13.558 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -3.411 26.954 10.743 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -4.453 26.807 12.144 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -5.078 28.967 11.860 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -3.443 29.461 12.252 1.00 0.00 H new ATOM 76 N CYS A 416 -1.061 25.255 12.325 1.00 0.00 N ATOM 77 CA CYS A 416 -0.673 23.872 12.535 1.00 0.00 C ATOM 78 C CYS A 416 0.217 23.805 13.776 1.00 0.00 C ATOM 79 O CYS A 416 0.324 22.758 14.414 1.00 0.00 O ATOM 80 CB CYS A 416 0.021 23.285 11.303 1.00 0.00 C ATOM 81 SG CYS A 416 1.061 21.817 11.635 1.00 0.00 S ATOM 0 H CYS A 416 -0.466 25.771 11.676 1.00 0.00 H new ATOM 0 HA CYS A 416 -1.563 23.263 12.694 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -0.739 23.016 10.569 1.00 0.00 H new ATOM 0 HB3 CYS A 416 0.642 24.058 10.850 1.00 0.00 H new ATOM 86 N SER A 417 0.835 24.936 14.085 1.00 0.00 N ATOM 87 CA SER A 417 1.712 25.019 15.240 1.00 0.00 C ATOM 88 C SER A 417 0.883 25.110 16.522 1.00 0.00 C ATOM 89 O SER A 417 1.295 24.612 17.569 1.00 0.00 O ATOM 90 CB SER A 417 2.653 26.221 15.131 1.00 0.00 C ATOM 91 OG SER A 417 3.661 26.203 16.138 1.00 0.00 O ATOM 0 H SER A 417 0.745 25.803 13.555 1.00 0.00 H new ATOM 0 HA SER A 417 2.321 24.116 15.272 1.00 0.00 H new ATOM 0 HB2 SER A 417 3.123 26.225 14.148 1.00 0.00 H new ATOM 0 HB3 SER A 417 2.076 27.142 15.212 1.00 0.00 H new ATOM 0 HG SER A 417 4.242 26.985 16.033 1.00 0.00 H new ATOM 97 N LEU A 418 -0.271 25.747 16.399 1.00 0.00 N ATOM 98 CA LEU A 418 -1.163 25.908 17.535 1.00 0.00 C ATOM 99 C LEU A 418 -1.653 24.532 17.992 1.00 0.00 C ATOM 100 O LEU A 418 -1.284 24.065 19.069 1.00 0.00 O ATOM 101 CB LEU A 418 -2.294 26.882 17.196 1.00 0.00 C ATOM 102 CG LEU A 418 -1.886 28.344 17.010 1.00 0.00 C ATOM 103 CD1 LEU A 418 -2.292 28.856 15.627 1.00 0.00 C ATOM 104 CD2 LEU A 418 -2.449 29.218 18.132 1.00 0.00 C ATOM 0 H LEU A 418 -0.610 26.158 15.529 1.00 0.00 H new ATOM 0 HA LEU A 418 -0.632 26.354 18.376 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -2.778 26.541 16.281 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -3.040 26.832 17.989 1.00 0.00 H new ATOM 0 HG LEU A 418 -0.799 28.404 17.069 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -1.990 29.898 15.522 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -1.803 28.257 14.859 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -3.373 28.778 15.513 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -2.144 30.253 17.975 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -3.537 29.156 18.130 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -2.068 28.869 19.092 1.00 0.00 H new ATOM 116 N GLY A 419 -2.476 23.923 17.154 1.00 0.00 N ATOM 117 CA GLY A 419 -3.020 22.611 17.458 1.00 0.00 C ATOM 118 C GLY A 419 -3.897 22.101 16.312 1.00 0.00 C ATOM 119 O GLY A 419 -4.936 21.486 16.547 1.00 0.00 O ATOM 0 H GLY A 419 -2.780 24.314 16.263 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -2.206 21.909 17.638 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -3.607 22.660 18.375 1.00 0.00 H new ATOM 123 N ALA A 420 -3.446 22.376 15.097 1.00 0.00 N ATOM 124 CA ALA A 420 -4.175 21.953 13.913 1.00 0.00 C ATOM 125 C ALA A 420 -3.235 21.176 12.990 1.00 0.00 C ATOM 126 O ALA A 420 -2.777 21.705 11.978 1.00 0.00 O ATOM 127 CB ALA A 420 -4.789 23.175 13.228 1.00 0.00 C ATOM 0 H ALA A 420 -2.584 22.887 14.907 1.00 0.00 H new ATOM 0 HA ALA A 420 -4.994 21.286 14.184 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -5.336 22.858 12.340 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -5.472 23.673 13.916 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -3.997 23.866 12.939 1.00 0.00 H new ATOM 133 N ASN A 421 -2.975 19.935 13.371 1.00 0.00 N ATOM 134 CA ASN A 421 -2.097 19.079 12.590 1.00 0.00 C ATOM 135 C ASN A 421 -2.921 17.961 11.949 1.00 0.00 C ATOM 136 O ASN A 421 -3.329 17.019 12.626 1.00 0.00 O ATOM 137 CB ASN A 421 -1.029 18.433 13.473 1.00 0.00 C ATOM 138 CG ASN A 421 0.259 18.189 12.685 1.00 0.00 C ATOM 139 OD1 ASN A 421 0.094 17.446 11.594 1.00 0.00 O flip ATOM 140 ND2 ASN A 421 1.333 18.645 13.043 1.00 0.00 N flip ATOM 0 H ASN A 421 -3.357 19.500 14.211 1.00 0.00 H new ATOM 0 HA ASN A 421 -1.613 19.694 11.832 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -0.820 19.077 14.328 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -1.402 17.488 13.869 1.00 0.00 H new ATOM 0 HD21 ASN A 421 1.391 19.208 13.891 1.00 0.00 H new ATOM 0 HD22 ASN A 421 2.173 18.463 12.494 1.00 0.00 H new ATOM 147 N PRO A 422 -3.147 18.104 10.615 1.00 0.00 N ATOM 148 CA PRO A 422 -3.913 17.117 9.876 1.00 0.00 C ATOM 149 C PRO A 422 -3.089 15.850 9.635 1.00 0.00 C ATOM 150 O PRO A 422 -3.621 14.742 9.679 1.00 0.00 O ATOM 151 CB PRO A 422 -4.317 17.816 8.588 1.00 0.00 C ATOM 152 CG PRO A 422 -3.377 19.002 8.446 1.00 0.00 C ATOM 153 CD PRO A 422 -2.678 19.207 9.780 1.00 0.00 C ATOM 0 HA PRO A 422 -4.793 16.774 10.421 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -4.229 17.144 7.735 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -5.356 18.144 8.630 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -2.647 18.818 7.657 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.932 19.897 8.165 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -1.594 19.186 9.667 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -2.934 20.172 10.217 1.00 0.00 H new ATOM 161 N CYS A 423 -1.805 16.056 9.386 1.00 0.00 N ATOM 162 CA CYS A 423 -0.902 14.945 9.137 1.00 0.00 C ATOM 163 C CYS A 423 -0.711 14.180 10.449 1.00 0.00 C ATOM 164 O CYS A 423 -0.034 13.155 10.481 1.00 0.00 O ATOM 165 CB CYS A 423 0.430 15.418 8.554 1.00 0.00 C ATOM 166 SG CYS A 423 0.641 17.234 8.497 1.00 0.00 S ATOM 0 H CYS A 423 -1.367 16.977 9.351 1.00 0.00 H new ATOM 0 HA CYS A 423 -1.335 14.281 8.389 1.00 0.00 H new ATOM 0 HB2 CYS A 423 1.241 14.991 9.144 1.00 0.00 H new ATOM 0 HB3 CYS A 423 0.529 15.023 7.543 1.00 0.00 H new ATOM 171 N GLU A 424 -1.322 14.709 11.500 1.00 0.00 N ATOM 172 CA GLU A 424 -1.228 14.089 12.809 1.00 0.00 C ATOM 173 C GLU A 424 0.214 14.142 13.320 1.00 0.00 C ATOM 174 O GLU A 424 0.662 15.174 13.819 1.00 0.00 O ATOM 175 CB GLU A 424 -1.744 12.649 12.774 1.00 0.00 C ATOM 176 CG GLU A 424 -3.260 12.614 12.578 1.00 0.00 C ATOM 177 CD GLU A 424 -3.965 12.101 13.836 1.00 0.00 C ATOM 178 OE1 GLU A 424 -4.505 12.901 14.613 1.00 0.00 O ATOM 179 OE2 GLU A 424 -3.938 10.820 13.990 1.00 0.00 O ATOM 0 H GLU A 424 -1.884 15.560 11.470 1.00 0.00 H new ATOM 0 HA GLU A 424 -1.859 14.649 13.499 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -1.257 12.104 11.966 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -1.482 12.143 13.703 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -3.622 13.613 12.336 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -3.506 11.972 11.732 1.00 0.00 H new ATOM 187 N HIS A 425 0.900 13.017 13.177 1.00 0.00 N ATOM 188 CA HIS A 425 2.281 12.923 13.618 1.00 0.00 C ATOM 189 C HIS A 425 3.183 12.619 12.418 1.00 0.00 C ATOM 190 O HIS A 425 4.331 13.060 12.372 1.00 0.00 O ATOM 191 CB HIS A 425 2.425 11.896 14.742 1.00 0.00 C ATOM 192 CG HIS A 425 1.643 12.235 15.988 1.00 0.00 C ATOM 193 ND1 HIS A 425 0.315 12.499 16.163 1.00 0.00 N flip ATOM 194 CD2 HIS A 425 2.228 12.334 17.237 1.00 0.00 C flip ATOM 195 CE1 HIS A 425 0.101 12.744 17.450 1.00 0.00 C flip ATOM 196 NE2 HIS A 425 1.287 12.643 18.118 1.00 0.00 N flip ATOM 0 H HIS A 425 0.525 12.164 12.762 1.00 0.00 H new ATOM 0 HA HIS A 425 2.598 13.878 14.036 1.00 0.00 H new ATOM 0 HB2 HIS A 425 2.099 10.923 14.375 1.00 0.00 H new ATOM 0 HB3 HIS A 425 3.479 11.802 15.002 1.00 0.00 H new ATOM 0 HD2 HIS A 425 3.275 12.185 17.457 1.00 0.00 H new ATOM 0 HE1 HIS A 425 -0.854 12.984 17.895 1.00 0.00 H new ATOM 0 HE2 HIS A 425 1.425 12.781 19.119 1.00 0.00 H new ATOM 204 N ALA A 426 2.629 11.867 11.480 1.00 0.00 N ATOM 205 CA ALA A 426 3.368 11.499 10.283 1.00 0.00 C ATOM 206 C ALA A 426 2.891 12.358 9.111 1.00 0.00 C ATOM 207 O ALA A 426 1.784 12.170 8.608 1.00 0.00 O ATOM 208 CB ALA A 426 3.197 10.003 10.017 1.00 0.00 C ATOM 0 H ALA A 426 1.678 11.502 11.523 1.00 0.00 H new ATOM 0 HA ALA A 426 4.433 11.686 10.417 1.00 0.00 H new ATOM 0 HB1 ALA A 426 3.751 9.727 9.120 1.00 0.00 H new ATOM 0 HB2 ALA A 426 3.578 9.436 10.867 1.00 0.00 H new ATOM 0 HB3 ALA A 426 2.140 9.777 9.875 1.00 0.00 H new ATOM 214 N GLY A 427 3.751 13.282 8.706 1.00 0.00 N ATOM 215 CA GLY A 427 3.432 14.171 7.603 1.00 0.00 C ATOM 216 C GLY A 427 4.089 15.539 7.791 1.00 0.00 C ATOM 217 O GLY A 427 4.564 15.859 8.880 1.00 0.00 O ATOM 0 H GLY A 427 4.669 13.434 9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 427 3.769 13.728 6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 427 2.351 14.290 7.529 1.00 0.00 H new ATOM 221 N LYS A 428 4.098 16.309 6.712 1.00 0.00 N ATOM 222 CA LYS A 428 4.690 17.636 6.746 1.00 0.00 C ATOM 223 C LYS A 428 3.591 18.674 6.982 1.00 0.00 C ATOM 224 O LYS A 428 2.511 18.585 6.399 1.00 0.00 O ATOM 225 CB LYS A 428 5.512 17.887 5.481 1.00 0.00 C ATOM 226 CG LYS A 428 6.920 18.377 5.831 1.00 0.00 C ATOM 227 CD LYS A 428 6.881 19.799 6.393 1.00 0.00 C ATOM 228 CE LYS A 428 7.697 20.756 5.523 1.00 0.00 C ATOM 229 NZ LYS A 428 9.036 20.982 6.114 1.00 0.00 N ATOM 0 H LYS A 428 3.705 16.040 5.810 1.00 0.00 H new ATOM 0 HA LYS A 428 5.391 17.720 7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 428 5.577 16.969 4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 428 5.010 18.627 4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 428 7.372 17.706 6.561 1.00 0.00 H new ATOM 0 HG3 LYS A 428 7.550 18.351 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 428 5.848 20.143 6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 428 7.273 19.803 7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 428 7.801 20.345 4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 428 7.171 21.706 5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 9.576 21.634 5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 8.931 21.395 7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 9.542 20.076 6.184 1.00 0.00 H new ATOM 242 N CYS A 429 3.905 19.637 7.836 1.00 0.00 N ATOM 243 CA CYS A 429 2.957 20.691 8.155 1.00 0.00 C ATOM 244 C CYS A 429 3.663 22.039 7.987 1.00 0.00 C ATOM 245 O CYS A 429 4.664 22.307 8.651 1.00 0.00 O ATOM 246 CB CYS A 429 2.375 20.523 9.561 1.00 0.00 C ATOM 247 SG CYS A 429 2.807 21.859 10.735 1.00 0.00 S ATOM 0 H CYS A 429 4.802 19.710 8.317 1.00 0.00 H new ATOM 0 HA CYS A 429 2.108 20.638 7.473 1.00 0.00 H new ATOM 0 HB2 CYS A 429 1.289 20.462 9.485 1.00 0.00 H new ATOM 0 HB3 CYS A 429 2.719 19.573 9.970 1.00 0.00 H new ATOM 252 N ILE A 430 3.114 22.852 7.098 1.00 0.00 N ATOM 253 CA ILE A 430 3.678 24.165 6.834 1.00 0.00 C ATOM 254 C ILE A 430 2.618 25.235 7.104 1.00 0.00 C ATOM 255 O ILE A 430 1.444 24.917 7.291 1.00 0.00 O ATOM 256 CB ILE A 430 4.265 24.222 5.424 1.00 0.00 C ATOM 257 CG1 ILE A 430 3.891 22.974 4.622 1.00 0.00 C ATOM 258 CG2 ILE A 430 5.779 24.441 5.468 1.00 0.00 C ATOM 259 CD1 ILE A 430 4.645 21.746 5.134 1.00 0.00 C ATOM 0 H ILE A 430 2.283 22.627 6.550 1.00 0.00 H new ATOM 0 HA ILE A 430 4.511 24.365 7.509 1.00 0.00 H new ATOM 0 HB ILE A 430 3.830 25.078 4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 430 2.817 22.801 4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 430 4.120 23.133 3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 430 6.171 24.478 4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 430 5.996 25.381 5.975 1.00 0.00 H new ATOM 0 HG23 ILE A 430 6.250 23.620 6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 430 4.360 20.873 4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 430 5.718 21.913 5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 430 4.395 21.576 6.181 1.00 0.00 H new ATOM 271 N ASN A 431 3.069 26.481 7.115 1.00 0.00 N ATOM 272 CA ASN A 431 2.174 27.598 7.358 1.00 0.00 C ATOM 273 C ASN A 431 1.833 28.271 6.026 1.00 0.00 C ATOM 274 O ASN A 431 2.723 28.585 5.238 1.00 0.00 O ATOM 275 CB ASN A 431 2.831 28.644 8.259 1.00 0.00 C ATOM 276 CG ASN A 431 2.128 29.997 8.135 1.00 0.00 C ATOM 277 OD1 ASN A 431 1.018 30.105 7.639 1.00 0.00 O ATOM 278 ND2 ASN A 431 2.833 31.019 8.612 1.00 0.00 N ATOM 0 H ASN A 431 4.043 26.741 6.959 1.00 0.00 H new ATOM 0 HA ASN A 431 1.278 27.213 7.845 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.799 28.308 9.295 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.882 28.751 7.991 1.00 0.00 H new ATOM 0 HD21 ASN A 431 2.450 31.964 8.576 1.00 0.00 H new ATOM 0 HD22 ASN A 431 3.756 30.858 9.014 1.00 0.00 H new ATOM 285 N THR A 432 0.540 28.472 5.815 1.00 0.00 N ATOM 286 CA THR A 432 0.070 29.102 4.593 1.00 0.00 C ATOM 287 C THR A 432 -0.665 30.405 4.913 1.00 0.00 C ATOM 288 O THR A 432 -0.912 30.713 6.079 1.00 0.00 O ATOM 289 CB THR A 432 -0.793 28.087 3.841 1.00 0.00 C ATOM 290 OG1 THR A 432 -1.023 27.052 4.793 1.00 0.00 O ATOM 291 CG2 THR A 432 -0.030 27.391 2.713 1.00 0.00 C ATOM 0 H THR A 432 -0.197 28.210 6.470 1.00 0.00 H new ATOM 0 HA THR A 432 0.902 29.385 3.948 1.00 0.00 H new ATOM 0 HB THR A 432 -1.669 28.590 3.431 1.00 0.00 H new ATOM 0 HG1 THR A 432 -0.216 26.504 4.881 1.00 0.00 H new ATOM 0 HG21 THR A 432 -0.688 26.681 2.212 1.00 0.00 H new ATOM 0 HG22 THR A 432 0.316 28.134 1.995 1.00 0.00 H new ATOM 0 HG23 THR A 432 0.827 26.860 3.127 1.00 0.00 H new ATOM 299 N LEU A 433 -0.992 31.137 3.859 1.00 0.00 N ATOM 300 CA LEU A 433 -1.693 32.400 4.013 1.00 0.00 C ATOM 301 C LEU A 433 -3.173 32.127 4.285 1.00 0.00 C ATOM 302 O LEU A 433 -3.848 31.482 3.483 1.00 0.00 O ATOM 303 CB LEU A 433 -1.448 33.301 2.800 1.00 0.00 C ATOM 304 CG LEU A 433 -0.380 34.383 2.975 1.00 0.00 C ATOM 305 CD1 LEU A 433 -0.020 35.020 1.631 1.00 0.00 C ATOM 306 CD2 LEU A 433 -0.819 35.426 4.004 1.00 0.00 C ATOM 0 H LEU A 433 -0.784 30.880 2.894 1.00 0.00 H new ATOM 0 HA LEU A 433 -1.305 32.948 4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -1.165 32.672 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -2.388 33.785 2.536 1.00 0.00 H new ATOM 0 HG LEU A 433 0.524 33.911 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 433 0.741 35.785 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 433 0.365 34.255 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 433 -0.909 35.474 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 433 -0.042 36.183 4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -1.743 35.898 3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -0.985 34.941 4.966 1.00 0.00 H new ATOM 318 N GLY A 434 -3.638 32.631 5.419 1.00 0.00 N ATOM 319 CA GLY A 434 -5.025 32.450 5.808 1.00 0.00 C ATOM 320 C GLY A 434 -5.235 31.088 6.472 1.00 0.00 C ATOM 321 O GLY A 434 -5.904 30.992 7.499 1.00 0.00 O ATOM 0 H GLY A 434 -3.077 33.166 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -5.320 33.243 6.495 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -5.666 32.534 4.931 1.00 0.00 H new ATOM 325 N SER A 435 -4.652 30.069 5.859 1.00 0.00 N ATOM 326 CA SER A 435 -4.766 28.717 6.377 1.00 0.00 C ATOM 327 C SER A 435 -3.388 28.054 6.420 1.00 0.00 C ATOM 328 O SER A 435 -2.403 28.630 5.960 1.00 0.00 O ATOM 329 CB SER A 435 -5.731 27.882 5.532 1.00 0.00 C ATOM 330 OG SER A 435 -6.975 28.546 5.331 1.00 0.00 O ATOM 0 H SER A 435 -4.098 30.153 5.007 1.00 0.00 H new ATOM 0 HA SER A 435 -5.167 28.772 7.389 1.00 0.00 H new ATOM 0 HB2 SER A 435 -5.274 27.667 4.566 1.00 0.00 H new ATOM 0 HB3 SER A 435 -5.906 26.924 6.022 1.00 0.00 H new ATOM 0 HG SER A 435 -7.563 27.982 4.786 1.00 0.00 H new ATOM 336 N PHE A 436 -3.361 26.852 6.977 1.00 0.00 N ATOM 337 CA PHE A 436 -2.120 26.105 7.085 1.00 0.00 C ATOM 338 C PHE A 436 -2.047 25.006 6.023 1.00 0.00 C ATOM 339 O PHE A 436 -3.075 24.521 5.555 1.00 0.00 O ATOM 340 CB PHE A 436 -2.107 25.457 8.472 1.00 0.00 C ATOM 341 CG PHE A 436 -3.382 24.682 8.809 1.00 0.00 C ATOM 342 CD1 PHE A 436 -4.506 25.351 9.186 1.00 0.00 C ATOM 343 CD2 PHE A 436 -3.392 23.325 8.732 1.00 0.00 C ATOM 344 CE1 PHE A 436 -5.688 24.632 9.498 1.00 0.00 C ATOM 345 CE2 PHE A 436 -4.575 22.605 9.045 1.00 0.00 C ATOM 346 CZ PHE A 436 -5.699 23.274 9.422 1.00 0.00 C ATOM 0 H PHE A 436 -4.179 26.377 7.358 1.00 0.00 H new ATOM 0 HA PHE A 436 -1.271 26.772 6.939 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -1.255 24.780 8.538 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -1.957 26.233 9.223 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -4.498 26.429 9.248 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -2.500 22.794 8.433 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -6.580 25.163 9.796 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -4.583 21.527 8.984 1.00 0.00 H new ATOM 0 HZ PHE A 436 -6.599 22.727 9.661 1.00 0.00 H new ATOM 356 N GLU A 437 -0.820 24.646 5.673 1.00 0.00 N ATOM 357 CA GLU A 437 -0.600 23.614 4.675 1.00 0.00 C ATOM 358 C GLU A 437 0.095 22.406 5.305 1.00 0.00 C ATOM 359 O GLU A 437 0.895 22.556 6.228 1.00 0.00 O ATOM 360 CB GLU A 437 0.208 24.157 3.494 1.00 0.00 C ATOM 361 CG GLU A 437 0.780 23.015 2.649 1.00 0.00 C ATOM 362 CD GLU A 437 0.850 23.410 1.172 1.00 0.00 C ATOM 363 OE1 GLU A 437 -0.189 23.483 0.500 1.00 0.00 O ATOM 364 OE2 GLU A 437 2.037 23.645 0.728 1.00 0.00 O ATOM 0 H GLU A 437 0.031 25.051 6.063 1.00 0.00 H new ATOM 0 HA GLU A 437 -1.569 23.293 4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -0.427 24.790 2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 437 1.020 24.784 3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 437 1.776 22.756 3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.159 22.127 2.763 1.00 0.00 H new ATOM 372 N CYS A 438 -0.236 21.234 4.783 1.00 0.00 N ATOM 373 CA CYS A 438 0.347 20.001 5.284 1.00 0.00 C ATOM 374 C CYS A 438 0.595 19.069 4.095 1.00 0.00 C ATOM 375 O CYS A 438 -0.300 18.842 3.282 1.00 0.00 O ATOM 376 CB CYS A 438 -0.540 19.346 6.345 1.00 0.00 C ATOM 377 SG CYS A 438 -0.092 17.622 6.763 1.00 0.00 S ATOM 0 H CYS A 438 -0.900 21.112 4.019 1.00 0.00 H new ATOM 0 HA CYS A 438 1.294 20.219 5.779 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.500 19.947 7.253 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.573 19.364 5.996 1.00 0.00 H new ATOM 382 N GLN A 439 1.814 18.555 4.031 1.00 0.00 N ATOM 383 CA GLN A 439 2.192 17.654 2.955 1.00 0.00 C ATOM 384 C GLN A 439 1.859 16.208 3.333 1.00 0.00 C ATOM 385 O GLN A 439 1.798 15.869 4.513 1.00 0.00 O ATOM 386 CB GLN A 439 3.674 17.802 2.611 1.00 0.00 C ATOM 387 CG GLN A 439 4.047 19.273 2.416 1.00 0.00 C ATOM 388 CD GLN A 439 5.277 19.412 1.516 1.00 0.00 C ATOM 389 OE1 GLN A 439 5.247 19.124 0.332 1.00 0.00 O ATOM 390 NE2 GLN A 439 6.358 19.871 2.143 1.00 0.00 N ATOM 0 H GLN A 439 2.554 18.745 4.707 1.00 0.00 H new ATOM 0 HA GLN A 439 1.619 17.919 2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 439 4.281 17.372 3.408 1.00 0.00 H new ATOM 0 HB3 GLN A 439 3.898 17.243 1.703 1.00 0.00 H new ATOM 0 HG2 GLN A 439 3.207 19.810 1.975 1.00 0.00 H new ATOM 0 HG3 GLN A 439 4.246 19.733 3.384 1.00 0.00 H new ATOM 0 HE21 GLN A 439 6.315 20.093 3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 439 7.229 20.000 1.629 1.00 0.00 H new ATOM 399 N CYS A 440 1.649 15.397 2.306 1.00 0.00 N ATOM 400 CA CYS A 440 1.323 13.996 2.515 1.00 0.00 C ATOM 401 C CYS A 440 2.629 13.222 2.704 1.00 0.00 C ATOM 402 O CYS A 440 3.705 13.728 2.389 1.00 0.00 O ATOM 403 CB CYS A 440 0.486 13.433 1.365 1.00 0.00 C ATOM 404 SG CYS A 440 -1.314 13.727 1.509 1.00 0.00 S ATOM 0 H CYS A 440 1.698 15.683 1.328 1.00 0.00 H new ATOM 0 HA CYS A 440 0.708 13.892 3.409 1.00 0.00 H new ATOM 0 HB2 CYS A 440 0.838 13.870 0.431 1.00 0.00 H new ATOM 0 HB3 CYS A 440 0.660 12.359 1.300 1.00 0.00 H new ATOM 409 N LEU A 441 2.492 12.008 3.216 1.00 0.00 N ATOM 410 CA LEU A 441 3.647 11.158 3.450 1.00 0.00 C ATOM 411 C LEU A 441 3.232 9.693 3.317 1.00 0.00 C ATOM 412 O LEU A 441 2.163 9.301 3.785 1.00 0.00 O ATOM 413 CB LEU A 441 4.296 11.495 4.793 1.00 0.00 C ATOM 414 CG LEU A 441 3.934 10.576 5.961 1.00 0.00 C ATOM 415 CD1 LEU A 441 2.422 10.362 6.043 1.00 0.00 C ATOM 416 CD2 LEU A 441 4.696 9.253 5.873 1.00 0.00 C ATOM 0 H LEU A 441 1.598 11.592 3.476 1.00 0.00 H new ATOM 0 HA LEU A 441 4.414 11.341 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 441 5.378 11.479 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 441 4.022 12.515 5.061 1.00 0.00 H new ATOM 0 HG LEU A 441 4.240 11.064 6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 441 2.192 9.705 6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 441 1.926 11.322 6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 441 2.068 9.906 5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.421 8.618 6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 441 4.443 8.749 4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 441 5.768 9.448 5.901 1.00 0.00 H new ATOM 428 N GLN A 442 4.099 8.920 2.679 1.00 0.00 N ATOM 429 CA GLN A 442 3.837 7.505 2.480 1.00 0.00 C ATOM 430 C GLN A 442 2.557 7.313 1.663 1.00 0.00 C ATOM 431 O GLN A 442 2.586 7.366 0.434 1.00 0.00 O ATOM 432 CB GLN A 442 3.748 6.770 3.819 1.00 0.00 C ATOM 433 CG GLN A 442 5.142 6.428 4.350 1.00 0.00 C ATOM 434 CD GLN A 442 6.129 6.216 3.200 1.00 0.00 C ATOM 435 OE1 GLN A 442 6.727 7.331 2.788 1.00 0.00 O flip ATOM 436 NE2 GLN A 442 6.336 5.114 2.720 1.00 0.00 N flip ATOM 0 H GLN A 442 4.984 9.248 2.293 1.00 0.00 H new ATOM 0 HA GLN A 442 4.669 7.076 1.922 1.00 0.00 H new ATOM 0 HB2 GLN A 442 3.221 7.390 4.544 1.00 0.00 H new ATOM 0 HB3 GLN A 442 3.166 5.856 3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 442 5.497 7.232 4.995 1.00 0.00 H new ATOM 0 HG3 GLN A 442 5.091 5.527 4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 442 5.843 4.299 3.084 1.00 0.00 H new ATOM 0 HE22 GLN A 442 7.002 5.008 1.955 1.00 0.00 H new ATOM 445 N GLY A 443 1.463 7.093 2.379 1.00 0.00 N ATOM 446 CA GLY A 443 0.176 6.892 1.736 1.00 0.00 C ATOM 447 C GLY A 443 -0.953 7.507 2.565 1.00 0.00 C ATOM 448 O GLY A 443 -1.747 6.789 3.170 1.00 0.00 O ATOM 0 H GLY A 443 1.442 7.050 3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 443 0.188 7.340 0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -0.005 5.825 1.603 1.00 0.00 H new ATOM 452 N TYR A 444 -0.987 8.832 2.569 1.00 0.00 N ATOM 453 CA TYR A 444 -2.006 9.552 3.314 1.00 0.00 C ATOM 454 C TYR A 444 -3.090 10.093 2.380 1.00 0.00 C ATOM 455 O TYR A 444 -2.859 10.254 1.184 1.00 0.00 O ATOM 456 CB TYR A 444 -1.288 10.728 3.980 1.00 0.00 C ATOM 457 CG TYR A 444 -0.910 10.481 5.442 1.00 0.00 C ATOM 458 CD1 TYR A 444 -0.136 9.390 5.779 1.00 0.00 C ATOM 459 CD2 TYR A 444 -1.343 11.351 6.423 1.00 0.00 C ATOM 460 CE1 TYR A 444 0.219 9.156 7.154 1.00 0.00 C ATOM 461 CE2 TYR A 444 -0.987 11.118 7.798 1.00 0.00 C ATOM 462 CZ TYR A 444 -0.223 10.032 8.096 1.00 0.00 C ATOM 463 OH TYR A 444 0.113 9.812 9.396 1.00 0.00 O ATOM 0 H TYR A 444 -0.325 9.425 2.068 1.00 0.00 H new ATOM 0 HA TYR A 444 -2.490 8.895 4.036 1.00 0.00 H new ATOM 0 HB2 TYR A 444 -0.384 10.955 3.415 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -1.928 11.609 3.925 1.00 0.00 H new ATOM 0 HD1 TYR A 444 0.204 8.711 5.011 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -1.948 12.206 6.159 1.00 0.00 H new ATOM 0 HE1 TYR A 444 0.822 8.304 7.431 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -1.319 11.790 8.576 1.00 0.00 H new ATOM 0 HH TYR A 444 -0.271 10.518 9.957 1.00 0.00 H new ATOM 473 N THR A 445 -4.250 10.358 2.963 1.00 0.00 N ATOM 474 CA THR A 445 -5.370 10.878 2.198 1.00 0.00 C ATOM 475 C THR A 445 -5.578 12.363 2.498 1.00 0.00 C ATOM 476 O THR A 445 -4.704 13.185 2.224 1.00 0.00 O ATOM 477 CB THR A 445 -6.597 10.018 2.512 1.00 0.00 C ATOM 478 OG1 THR A 445 -7.691 10.771 1.996 1.00 0.00 O ATOM 479 CG2 THR A 445 -6.880 9.929 4.013 1.00 0.00 C ATOM 0 H THR A 445 -4.438 10.222 3.956 1.00 0.00 H new ATOM 0 HA THR A 445 -5.178 10.819 1.127 1.00 0.00 H new ATOM 0 HB THR A 445 -6.450 9.016 2.110 1.00 0.00 H new ATOM 0 HG1 THR A 445 -8.527 10.285 2.156 1.00 0.00 H new ATOM 0 HG21 THR A 445 -7.760 9.308 4.181 1.00 0.00 H new ATOM 0 HG22 THR A 445 -6.022 9.487 4.519 1.00 0.00 H new ATOM 0 HG23 THR A 445 -7.060 10.928 4.409 1.00 0.00 H new ATOM 487 N GLY A 446 -6.742 12.665 3.057 1.00 0.00 N ATOM 488 CA GLY A 446 -7.075 14.038 3.396 1.00 0.00 C ATOM 489 C GLY A 446 -7.686 14.766 2.197 1.00 0.00 C ATOM 490 O GLY A 446 -7.476 14.369 1.053 1.00 0.00 O ATOM 0 H GLY A 446 -7.465 11.982 3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -7.777 14.050 4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -6.178 14.563 3.726 1.00 0.00 H new ATOM 494 N PRO A 447 -8.450 15.847 2.510 1.00 0.00 N ATOM 495 CA PRO A 447 -9.092 16.635 1.473 1.00 0.00 C ATOM 496 C PRO A 447 -8.077 17.519 0.746 1.00 0.00 C ATOM 497 O PRO A 447 -8.288 17.896 -0.405 1.00 0.00 O ATOM 498 CB PRO A 447 -10.167 17.433 2.192 1.00 0.00 C ATOM 499 CG PRO A 447 -9.783 17.415 3.663 1.00 0.00 C ATOM 500 CD PRO A 447 -8.720 16.346 3.855 1.00 0.00 C ATOM 0 HA PRO A 447 -9.531 16.018 0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -10.215 18.454 1.813 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -11.151 16.990 2.039 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -9.404 18.390 3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -10.654 17.202 4.282 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -7.821 16.759 4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -9.073 15.549 4.510 1.00 0.00 H new ATOM 508 N ARG A 448 -6.997 17.825 1.450 1.00 0.00 N ATOM 509 CA ARG A 448 -5.947 18.658 0.888 1.00 0.00 C ATOM 510 C ARG A 448 -4.633 17.879 0.814 1.00 0.00 C ATOM 511 O ARG A 448 -3.648 18.365 0.258 1.00 0.00 O ATOM 512 CB ARG A 448 -5.739 19.921 1.725 1.00 0.00 C ATOM 513 CG ARG A 448 -7.003 20.781 1.745 1.00 0.00 C ATOM 514 CD ARG A 448 -7.251 21.424 0.379 1.00 0.00 C ATOM 515 NE ARG A 448 -6.135 22.335 0.040 1.00 0.00 N ATOM 516 CZ ARG A 448 -5.855 22.755 -1.213 1.00 0.00 C ATOM 517 NH1 ARG A 448 -6.610 22.349 -2.256 1.00 0.00 N ATOM 518 NH2 ARG A 448 -4.834 23.567 -1.403 1.00 0.00 N ATOM 0 H ARG A 448 -6.826 17.511 2.405 1.00 0.00 H new ATOM 0 HA ARG A 448 -6.256 18.949 -0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -5.467 19.645 2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -4.909 20.498 1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -7.860 20.168 2.023 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -6.907 21.557 2.504 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -7.346 20.652 -0.384 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -8.191 21.976 0.393 1.00 0.00 H new ATOM 0 HE ARG A 448 -5.540 22.666 0.800 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -7.398 21.721 -2.101 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -6.392 22.671 -3.199 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -4.268 23.869 -0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -4.610 23.893 -2.343 1.00 0.00 H new ATOM 531 N CYS A 449 -4.659 16.682 1.383 1.00 0.00 N ATOM 532 CA CYS A 449 -3.480 15.831 1.389 1.00 0.00 C ATOM 533 C CYS A 449 -2.759 16.019 2.725 1.00 0.00 C ATOM 534 O CYS A 449 -1.666 16.581 2.770 1.00 0.00 O ATOM 535 CB CYS A 449 -2.565 16.124 0.199 1.00 0.00 C ATOM 536 SG CYS A 449 -1.521 14.718 -0.330 1.00 0.00 S ATOM 0 H CYS A 449 -5.477 16.282 1.843 1.00 0.00 H new ATOM 0 HA CYS A 449 -3.780 14.788 1.283 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -3.179 16.440 -0.644 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -1.918 16.963 0.454 1.00 0.00 H new ATOM 541 N GLU A 450 -3.401 15.538 3.780 1.00 0.00 N ATOM 542 CA GLU A 450 -2.832 15.648 5.114 1.00 0.00 C ATOM 543 C GLU A 450 -3.582 14.733 6.085 1.00 0.00 C ATOM 544 O GLU A 450 -3.635 15.004 7.284 1.00 0.00 O ATOM 545 CB GLU A 450 -2.850 17.097 5.601 1.00 0.00 C ATOM 546 CG GLU A 450 -4.233 17.724 5.405 1.00 0.00 C ATOM 547 CD GLU A 450 -4.566 17.859 3.917 1.00 0.00 C ATOM 548 OE1 GLU A 450 -5.660 17.466 3.489 1.00 0.00 O ATOM 549 OE2 GLU A 450 -3.641 18.398 3.197 1.00 0.00 O ATOM 0 H GLU A 450 -4.308 15.072 3.739 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.791 15.328 5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -2.576 17.134 6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -2.104 17.676 5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -4.988 17.110 5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -4.262 18.705 5.879 1.00 0.00 H new ATOM 557 N ILE A 451 -4.142 13.666 5.532 1.00 0.00 N ATOM 558 CA ILE A 451 -4.885 12.711 6.335 1.00 0.00 C ATOM 559 C ILE A 451 -4.408 11.294 6.005 1.00 0.00 C ATOM 560 O ILE A 451 -4.034 11.011 4.870 1.00 0.00 O ATOM 561 CB ILE A 451 -6.390 12.911 6.148 1.00 0.00 C ATOM 562 CG1 ILE A 451 -6.896 14.083 6.992 1.00 0.00 C ATOM 563 CG2 ILE A 451 -7.157 11.619 6.444 1.00 0.00 C ATOM 564 CD1 ILE A 451 -6.336 15.410 6.478 1.00 0.00 C ATOM 0 H ILE A 451 -4.096 13.443 4.538 1.00 0.00 H new ATOM 0 HA ILE A 451 -4.694 12.874 7.396 1.00 0.00 H new ATOM 0 HB ILE A 451 -6.574 13.162 5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -7.985 14.110 6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -6.604 13.939 8.032 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -8.224 11.789 6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -6.822 10.834 5.766 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -6.971 11.313 7.474 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.711 16.227 7.095 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -5.247 15.389 6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -6.650 15.562 5.445 1.00 0.00 H new ATOM 576 N ASP A 452 -4.437 10.444 7.020 1.00 0.00 N ATOM 577 CA ASP A 452 -4.012 9.065 6.854 1.00 0.00 C ATOM 578 C ASP A 452 -5.238 8.184 6.609 1.00 0.00 C ATOM 579 O ASP A 452 -6.206 8.237 7.367 1.00 0.00 O ATOM 580 CB ASP A 452 -3.303 8.551 8.108 1.00 0.00 C ATOM 581 CG ASP A 452 -3.454 7.051 8.369 1.00 0.00 C ATOM 582 OD1 ASP A 452 -4.563 6.555 8.620 1.00 0.00 O ATOM 583 OD2 ASP A 452 -2.359 6.374 8.304 1.00 0.00 O ATOM 0 H ASP A 452 -4.748 10.684 7.961 1.00 0.00 H new ATOM 0 HA ASP A 452 -3.324 9.024 6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -2.241 8.785 8.028 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -3.686 9.095 8.972 1.00 0.00 H new ATOM 589 N VAL A 453 -5.158 7.394 5.548 1.00 0.00 N ATOM 590 CA VAL A 453 -6.250 6.503 5.194 1.00 0.00 C ATOM 591 C VAL A 453 -5.938 5.094 5.706 1.00 0.00 C ATOM 592 O VAL A 453 -4.792 4.787 6.031 1.00 0.00 O ATOM 593 CB VAL A 453 -6.496 6.550 3.686 1.00 0.00 C ATOM 594 CG1 VAL A 453 -5.311 7.189 2.956 1.00 0.00 C ATOM 595 CG2 VAL A 453 -6.790 5.154 3.134 1.00 0.00 C ATOM 0 H VAL A 453 -4.354 7.353 4.922 1.00 0.00 H new ATOM 0 HA VAL A 453 -7.176 6.825 5.670 1.00 0.00 H new ATOM 0 HB VAL A 453 -7.374 7.172 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.512 7.210 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -5.167 8.207 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -4.410 6.606 3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -6.961 5.216 2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -5.941 4.499 3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -7.678 4.750 3.620 1.00 0.00 H new ATOM 605 N ASN A 454 -6.979 4.276 5.760 1.00 0.00 N ATOM 606 CA ASN A 454 -6.830 2.907 6.226 1.00 0.00 C ATOM 607 C ASN A 454 -6.333 2.032 5.076 1.00 0.00 C ATOM 608 O ASN A 454 -7.096 1.702 4.167 1.00 0.00 O ATOM 609 CB ASN A 454 -8.169 2.342 6.707 1.00 0.00 C ATOM 610 CG ASN A 454 -8.006 0.908 7.218 1.00 0.00 C ATOM 611 OD1 ASN A 454 -7.115 0.178 6.819 1.00 0.00 O ATOM 612 ND2 ASN A 454 -8.915 0.550 8.119 1.00 0.00 N ATOM 0 H ASN A 454 -7.928 4.534 5.489 1.00 0.00 H new ATOM 0 HA ASN A 454 -6.120 2.907 7.053 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -8.570 2.972 7.501 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -8.891 2.361 5.890 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -8.893 -0.387 8.521 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -9.635 1.212 8.409 1.00 0.00 H new ATOM 619 N GLU A 455 -5.058 1.681 5.148 1.00 0.00 N ATOM 620 CA GLU A 455 -4.450 0.850 4.123 1.00 0.00 C ATOM 621 C GLU A 455 -4.816 -0.620 4.345 1.00 0.00 C ATOM 622 O GLU A 455 -4.696 -1.437 3.434 1.00 0.00 O ATOM 623 CB GLU A 455 -2.932 1.038 4.095 1.00 0.00 C ATOM 624 CG GLU A 455 -2.536 2.157 3.130 1.00 0.00 C ATOM 625 CD GLU A 455 -2.596 3.522 3.818 1.00 0.00 C ATOM 626 OE1 GLU A 455 -3.693 4.060 4.033 1.00 0.00 O ATOM 627 OE2 GLU A 455 -1.451 4.025 4.134 1.00 0.00 O ATOM 0 H GLU A 455 -4.428 1.957 5.901 1.00 0.00 H new ATOM 0 HA GLU A 455 -4.840 1.159 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -2.573 1.273 5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -2.452 0.107 3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -1.528 1.979 2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -3.203 2.151 2.268 1.00 0.00 H new ATOM 635 N CYS A 456 -5.256 -0.909 5.560 1.00 0.00 N ATOM 636 CA CYS A 456 -5.641 -2.266 5.912 1.00 0.00 C ATOM 637 C CYS A 456 -7.160 -2.384 5.777 1.00 0.00 C ATOM 638 O CYS A 456 -7.767 -3.296 6.336 1.00 0.00 O ATOM 639 CB CYS A 456 -5.162 -2.644 7.315 1.00 0.00 C ATOM 640 SG CYS A 456 -6.434 -2.503 8.624 1.00 0.00 S ATOM 0 H CYS A 456 -5.355 -0.228 6.313 1.00 0.00 H new ATOM 0 HA CYS A 456 -5.161 -2.971 5.233 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -4.794 -3.670 7.294 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -4.317 -2.008 7.579 1.00 0.00 H new ATOM 645 N VAL A 457 -7.731 -1.450 5.031 1.00 0.00 N ATOM 646 CA VAL A 457 -9.168 -1.439 4.815 1.00 0.00 C ATOM 647 C VAL A 457 -9.498 -2.259 3.567 1.00 0.00 C ATOM 648 O VAL A 457 -10.261 -3.221 3.635 1.00 0.00 O ATOM 649 CB VAL A 457 -9.673 0.003 4.734 1.00 0.00 C ATOM 650 CG1 VAL A 457 -10.299 0.290 3.367 1.00 0.00 C ATOM 651 CG2 VAL A 457 -10.663 0.301 5.863 1.00 0.00 C ATOM 0 H VAL A 457 -7.224 -0.695 4.568 1.00 0.00 H new ATOM 0 HA VAL A 457 -9.684 -1.904 5.655 1.00 0.00 H new ATOM 0 HB VAL A 457 -8.816 0.665 4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -10.650 1.322 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -9.554 0.137 2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -11.140 -0.384 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -11.007 1.332 5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -11.516 -0.373 5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -10.172 0.156 6.825 1.00 0.00 H new ATOM 661 N SER A 458 -8.907 -1.848 2.454 1.00 0.00 N ATOM 662 CA SER A 458 -9.128 -2.532 1.192 1.00 0.00 C ATOM 663 C SER A 458 -8.040 -3.585 0.969 1.00 0.00 C ATOM 664 O SER A 458 -8.011 -4.243 -0.070 1.00 0.00 O ATOM 665 CB SER A 458 -9.157 -1.543 0.025 1.00 0.00 C ATOM 666 OG SER A 458 -10.446 -1.465 -0.578 1.00 0.00 O ATOM 0 H SER A 458 -8.275 -1.049 2.401 1.00 0.00 H new ATOM 0 HA SER A 458 -10.099 -3.026 1.237 1.00 0.00 H new ATOM 0 HB2 SER A 458 -8.863 -0.555 0.380 1.00 0.00 H new ATOM 0 HB3 SER A 458 -8.424 -1.844 -0.724 1.00 0.00 H new ATOM 0 HG SER A 458 -10.423 -0.822 -1.317 1.00 0.00 H new ATOM 672 N ASN A 459 -7.171 -3.710 1.960 1.00 0.00 N ATOM 673 CA ASN A 459 -6.083 -4.671 1.885 1.00 0.00 C ATOM 674 C ASN A 459 -5.882 -5.314 3.259 1.00 0.00 C ATOM 675 O ASN A 459 -4.770 -5.330 3.784 1.00 0.00 O ATOM 676 CB ASN A 459 -4.772 -3.989 1.487 1.00 0.00 C ATOM 677 CG ASN A 459 -5.036 -2.778 0.588 1.00 0.00 C ATOM 678 OD1 ASN A 459 -5.694 -1.790 1.190 1.00 0.00 O flip ATOM 679 ND2 ASN A 459 -4.668 -2.743 -0.575 1.00 0.00 N flip ATOM 0 H ASN A 459 -7.197 -3.162 2.820 1.00 0.00 H new ATOM 0 HA ASN A 459 -6.343 -5.418 1.135 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -4.236 -3.673 2.382 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -4.131 -4.700 0.966 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -4.167 -3.536 -0.976 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -4.861 -1.921 -1.147 1.00 0.00 H new ATOM 686 N PRO A 460 -7.003 -5.845 3.815 1.00 0.00 N ATOM 687 CA PRO A 460 -6.961 -6.488 5.117 1.00 0.00 C ATOM 688 C PRO A 460 -6.311 -7.871 5.024 1.00 0.00 C ATOM 689 O PRO A 460 -6.135 -8.547 6.037 1.00 0.00 O ATOM 690 CB PRO A 460 -8.408 -6.543 5.578 1.00 0.00 C ATOM 691 CG PRO A 460 -9.250 -6.353 4.326 1.00 0.00 C ATOM 692 CD PRO A 460 -8.337 -5.847 3.222 1.00 0.00 C ATOM 0 HA PRO A 460 -6.349 -5.942 5.835 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -8.630 -7.497 6.057 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -8.615 -5.763 6.310 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -9.717 -7.294 4.034 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -10.055 -5.642 4.512 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -8.380 -6.494 2.346 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -8.627 -4.848 2.896 1.00 0.00 H new ATOM 700 N CYS A 461 -5.974 -8.251 3.799 1.00 0.00 N ATOM 701 CA CYS A 461 -5.348 -9.538 3.562 1.00 0.00 C ATOM 702 C CYS A 461 -6.402 -10.629 3.758 1.00 0.00 C ATOM 703 O CYS A 461 -6.067 -11.788 3.998 1.00 0.00 O ATOM 704 CB CYS A 461 -4.132 -9.753 4.465 1.00 0.00 C ATOM 705 SG CYS A 461 -2.514 -9.479 3.653 1.00 0.00 S ATOM 0 H CYS A 461 -6.124 -7.689 2.961 1.00 0.00 H new ATOM 0 HA CYS A 461 -4.971 -9.577 2.540 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -4.211 -9.084 5.322 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -4.160 -10.771 4.852 1.00 0.00 H new ATOM 710 N GLN A 462 -7.658 -10.219 3.648 1.00 0.00 N ATOM 711 CA GLN A 462 -8.765 -11.147 3.811 1.00 0.00 C ATOM 712 C GLN A 462 -9.070 -11.355 5.296 1.00 0.00 C ATOM 713 O GLN A 462 -8.585 -10.607 6.144 1.00 0.00 O ATOM 714 CB GLN A 462 -8.469 -12.480 3.120 1.00 0.00 C ATOM 715 CG GLN A 462 -9.629 -12.897 2.213 1.00 0.00 C ATOM 716 CD GLN A 462 -9.493 -14.359 1.788 1.00 0.00 C ATOM 717 OE1 GLN A 462 -8.486 -14.588 0.948 1.00 0.00 O flip ATOM 718 NE2 GLN A 462 -10.253 -15.224 2.193 1.00 0.00 N flip ATOM 0 H GLN A 462 -7.933 -9.257 3.448 1.00 0.00 H new ATOM 0 HA GLN A 462 -9.647 -10.717 3.336 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -7.556 -12.394 2.532 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -8.294 -13.251 3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -10.574 -12.753 2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -9.653 -12.258 1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -11.006 -14.981 2.837 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -10.135 -16.190 1.888 1.00 0.00 H new ATOM 727 N ASN A 463 -9.873 -12.372 5.566 1.00 0.00 N ATOM 728 CA ASN A 463 -10.249 -12.688 6.933 1.00 0.00 C ATOM 729 C ASN A 463 -9.121 -13.482 7.597 1.00 0.00 C ATOM 730 O ASN A 463 -8.879 -13.339 8.795 1.00 0.00 O ATOM 731 CB ASN A 463 -11.517 -13.544 6.973 1.00 0.00 C ATOM 732 CG ASN A 463 -11.366 -14.788 6.096 1.00 0.00 C ATOM 733 OD1 ASN A 463 -11.882 -14.656 4.878 1.00 0.00 O flip ATOM 734 ND2 ASN A 463 -10.818 -15.801 6.499 1.00 0.00 N flip ATOM 0 H ASN A 463 -10.275 -12.989 4.860 1.00 0.00 H new ATOM 0 HA ASN A 463 -10.431 -11.750 7.458 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -11.727 -13.842 8.000 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -12.369 -12.955 6.632 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -10.443 -15.835 7.447 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -10.735 -16.613 5.888 1.00 0.00 H new ATOM 741 N ASP A 464 -8.464 -14.302 6.791 1.00 0.00 N ATOM 742 CA ASP A 464 -7.368 -15.118 7.286 1.00 0.00 C ATOM 743 C ASP A 464 -6.097 -14.270 7.357 1.00 0.00 C ATOM 744 O ASP A 464 -5.094 -14.592 6.723 1.00 0.00 O ATOM 745 CB ASP A 464 -7.095 -16.298 6.351 1.00 0.00 C ATOM 746 CG ASP A 464 -6.677 -17.593 7.049 1.00 0.00 C ATOM 747 OD1 ASP A 464 -5.638 -17.648 7.723 1.00 0.00 O ATOM 748 OD2 ASP A 464 -7.479 -18.589 6.878 1.00 0.00 O ATOM 0 H ASP A 464 -8.669 -14.419 5.799 1.00 0.00 H new ATOM 0 HA ASP A 464 -7.646 -15.493 8.271 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -7.993 -16.493 5.765 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -6.312 -16.012 5.649 1.00 0.00 H new ATOM 754 N ALA A 465 -6.181 -13.200 8.136 1.00 0.00 N ATOM 755 CA ALA A 465 -5.050 -12.303 8.298 1.00 0.00 C ATOM 756 C ALA A 465 -5.488 -11.079 9.105 1.00 0.00 C ATOM 757 O ALA A 465 -6.510 -10.464 8.804 1.00 0.00 O ATOM 758 CB ALA A 465 -4.495 -11.925 6.924 1.00 0.00 C ATOM 0 H ALA A 465 -7.014 -12.935 8.661 1.00 0.00 H new ATOM 0 HA ALA A 465 -4.248 -12.794 8.849 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -3.646 -11.252 7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -4.171 -12.825 6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -5.271 -11.428 6.342 1.00 0.00 H new ATOM 764 N THR A 466 -4.695 -10.762 10.118 1.00 0.00 N ATOM 765 CA THR A 466 -4.988 -9.623 10.971 1.00 0.00 C ATOM 766 C THR A 466 -4.467 -8.333 10.334 1.00 0.00 C ATOM 767 O THR A 466 -3.259 -8.126 10.238 1.00 0.00 O ATOM 768 CB THR A 466 -4.391 -9.902 12.352 1.00 0.00 C ATOM 769 OG1 THR A 466 -5.320 -10.800 12.957 1.00 0.00 O ATOM 770 CG2 THR A 466 -4.419 -8.671 13.261 1.00 0.00 C ATOM 0 H THR A 466 -3.849 -11.275 10.367 1.00 0.00 H new ATOM 0 HA THR A 466 -6.062 -9.481 11.087 1.00 0.00 H new ATOM 0 HB THR A 466 -3.364 -10.248 12.240 1.00 0.00 H new ATOM 0 HG1 THR A 466 -5.010 -11.035 13.856 1.00 0.00 H new ATOM 0 HG21 THR A 466 -3.984 -8.923 14.228 1.00 0.00 H new ATOM 0 HG22 THR A 466 -3.843 -7.867 12.803 1.00 0.00 H new ATOM 0 HG23 THR A 466 -5.450 -8.345 13.401 1.00 0.00 H new ATOM 778 N CYS A 467 -5.407 -7.497 9.918 1.00 0.00 N ATOM 779 CA CYS A 467 -5.059 -6.231 9.293 1.00 0.00 C ATOM 780 C CYS A 467 -4.611 -5.262 10.389 1.00 0.00 C ATOM 781 O CYS A 467 -5.180 -5.246 11.479 1.00 0.00 O ATOM 782 CB CYS A 467 -6.221 -5.668 8.472 1.00 0.00 C ATOM 783 SG CYS A 467 -7.096 -4.260 9.247 1.00 0.00 S ATOM 0 H CYS A 467 -6.409 -7.671 10.001 1.00 0.00 H new ATOM 0 HA CYS A 467 -4.242 -6.382 8.587 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -5.841 -5.351 7.501 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -6.939 -6.467 8.289 1.00 0.00 H new ATOM 788 N LEU A 468 -3.595 -4.477 10.061 1.00 0.00 N ATOM 789 CA LEU A 468 -3.065 -3.507 11.004 1.00 0.00 C ATOM 790 C LEU A 468 -2.710 -2.220 10.259 1.00 0.00 C ATOM 791 O LEU A 468 -1.630 -2.108 9.682 1.00 0.00 O ATOM 792 CB LEU A 468 -1.893 -4.106 11.787 1.00 0.00 C ATOM 793 CG LEU A 468 -2.266 -4.999 12.972 1.00 0.00 C ATOM 794 CD1 LEU A 468 -1.037 -5.314 13.827 1.00 0.00 C ATOM 795 CD2 LEU A 468 -3.394 -4.373 13.796 1.00 0.00 C ATOM 0 H LEU A 468 -3.125 -4.493 9.156 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.818 -3.249 11.748 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -1.281 -4.687 11.098 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -1.272 -3.289 12.154 1.00 0.00 H new ATOM 0 HG LEU A 468 -2.640 -5.946 12.583 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -1.329 -5.950 14.663 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -0.294 -5.831 13.220 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -0.612 -4.386 14.209 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -3.640 -5.028 14.632 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -3.072 -3.404 14.177 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -4.274 -4.241 13.167 1.00 0.00 H new ATOM 807 N ASP A 469 -3.642 -1.278 10.294 1.00 0.00 N ATOM 808 CA ASP A 469 -3.443 -0.002 9.628 1.00 0.00 C ATOM 809 C ASP A 469 -2.269 0.731 10.282 1.00 0.00 C ATOM 810 O ASP A 469 -2.296 1.010 11.479 1.00 0.00 O ATOM 811 CB ASP A 469 -4.683 0.886 9.756 1.00 0.00 C ATOM 812 CG ASP A 469 -4.424 2.384 9.603 1.00 0.00 C ATOM 813 OD1 ASP A 469 -4.438 3.139 10.587 1.00 0.00 O ATOM 814 OD2 ASP A 469 -4.195 2.778 8.396 1.00 0.00 O ATOM 0 H ASP A 469 -4.537 -1.373 10.774 1.00 0.00 H new ATOM 0 HA ASP A 469 -3.247 -0.199 8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -5.410 0.580 9.004 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -5.139 0.709 10.730 1.00 0.00 H new ATOM 820 N GLN A 470 -1.266 1.020 9.466 1.00 0.00 N ATOM 821 CA GLN A 470 -0.085 1.715 9.950 1.00 0.00 C ATOM 822 C GLN A 470 -0.024 3.127 9.365 1.00 0.00 C ATOM 823 O GLN A 470 -0.961 3.570 8.705 1.00 0.00 O ATOM 824 CB GLN A 470 1.186 0.929 9.619 1.00 0.00 C ATOM 825 CG GLN A 470 1.800 0.323 10.883 1.00 0.00 C ATOM 826 CD GLN A 470 2.231 -1.126 10.643 1.00 0.00 C ATOM 827 OE1 GLN A 470 1.246 -2.011 10.769 1.00 0.00 O flip ATOM 828 NE2 GLN A 470 3.381 -1.420 10.363 1.00 0.00 N flip ATOM 0 H GLN A 470 -1.247 0.786 8.473 1.00 0.00 H new ATOM 0 HA GLN A 470 -0.152 1.795 11.035 1.00 0.00 H new ATOM 0 HB2 GLN A 470 0.953 0.137 8.908 1.00 0.00 H new ATOM 0 HB3 GLN A 470 1.910 1.587 9.138 1.00 0.00 H new ATOM 0 HG2 GLN A 470 2.661 0.915 11.194 1.00 0.00 H new ATOM 0 HG3 GLN A 470 1.076 0.361 11.697 1.00 0.00 H new ATOM 0 HE21 GLN A 470 4.089 -0.690 10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 470 3.635 -2.396 10.210 1.00 0.00 H new ATOM 837 N ILE A 471 1.090 3.795 9.630 1.00 0.00 N ATOM 838 CA ILE A 471 1.285 5.148 9.140 1.00 0.00 C ATOM 839 C ILE A 471 1.616 5.102 7.646 1.00 0.00 C ATOM 840 O ILE A 471 2.684 4.627 7.259 1.00 0.00 O ATOM 841 CB ILE A 471 2.335 5.877 9.980 1.00 0.00 C ATOM 842 CG1 ILE A 471 3.392 4.901 10.503 1.00 0.00 C ATOM 843 CG2 ILE A 471 1.679 6.670 11.112 1.00 0.00 C ATOM 844 CD1 ILE A 471 3.977 4.065 9.363 1.00 0.00 C ATOM 0 H ILE A 471 1.866 3.424 10.178 1.00 0.00 H new ATOM 0 HA ILE A 471 0.368 5.727 9.247 1.00 0.00 H new ATOM 0 HB ILE A 471 2.847 6.595 9.339 1.00 0.00 H new ATOM 0 HG12 ILE A 471 4.189 5.454 10.999 1.00 0.00 H new ATOM 0 HG13 ILE A 471 2.947 4.243 11.250 1.00 0.00 H new ATOM 0 HG21 ILE A 471 2.448 7.178 11.693 1.00 0.00 H new ATOM 0 HG22 ILE A 471 0.996 7.407 10.691 1.00 0.00 H new ATOM 0 HG23 ILE A 471 1.125 5.990 11.759 1.00 0.00 H new ATOM 0 HD11 ILE A 471 4.725 3.380 9.761 1.00 0.00 H new ATOM 0 HD12 ILE A 471 3.181 3.495 8.884 1.00 0.00 H new ATOM 0 HD13 ILE A 471 4.442 4.724 8.630 1.00 0.00 H new ATOM 856 N GLY A 472 0.684 5.602 6.850 1.00 0.00 N ATOM 857 CA GLY A 472 0.864 5.623 5.408 1.00 0.00 C ATOM 858 C GLY A 472 1.200 4.228 4.877 1.00 0.00 C ATOM 859 O GLY A 472 1.712 4.089 3.767 1.00 0.00 O ATOM 0 H GLY A 472 -0.199 5.996 7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -0.045 5.989 4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 472 1.663 6.317 5.148 1.00 0.00 H new ATOM 863 N GLU A 473 0.900 3.230 5.695 1.00 0.00 N ATOM 864 CA GLU A 473 1.163 1.851 5.320 1.00 0.00 C ATOM 865 C GLU A 473 0.405 0.896 6.245 1.00 0.00 C ATOM 866 O GLU A 473 0.006 1.276 7.344 1.00 0.00 O ATOM 867 CB GLU A 473 2.664 1.555 5.339 1.00 0.00 C ATOM 868 CG GLU A 473 3.186 1.455 6.775 1.00 0.00 C ATOM 869 CD GLU A 473 4.572 0.810 6.811 1.00 0.00 C ATOM 870 OE1 GLU A 473 4.735 -0.278 7.382 1.00 0.00 O ATOM 871 OE2 GLU A 473 5.501 1.480 6.216 1.00 0.00 O ATOM 0 H GLU A 473 0.477 3.349 6.616 1.00 0.00 H new ATOM 0 HA GLU A 473 0.808 1.698 4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 473 2.861 0.622 4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.200 2.341 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 473 3.232 2.449 7.219 1.00 0.00 H new ATOM 0 HG3 GLU A 473 2.492 0.869 7.378 1.00 0.00 H new ATOM 879 N PHE A 474 0.228 -0.326 5.763 1.00 0.00 N ATOM 880 CA PHE A 474 -0.475 -1.338 6.532 1.00 0.00 C ATOM 881 C PHE A 474 0.292 -2.661 6.529 1.00 0.00 C ATOM 882 O PHE A 474 1.147 -2.885 5.673 1.00 0.00 O ATOM 883 CB PHE A 474 -1.833 -1.549 5.859 1.00 0.00 C ATOM 884 CG PHE A 474 -1.767 -2.369 4.568 1.00 0.00 C ATOM 885 CD1 PHE A 474 -1.187 -1.843 3.457 1.00 0.00 C ATOM 886 CD2 PHE A 474 -2.287 -3.626 4.534 1.00 0.00 C ATOM 887 CE1 PHE A 474 -1.126 -2.605 2.260 1.00 0.00 C ATOM 888 CE2 PHE A 474 -2.226 -4.387 3.337 1.00 0.00 C ATOM 889 CZ PHE A 474 -1.648 -3.860 2.226 1.00 0.00 C ATOM 0 H PHE A 474 0.559 -0.637 4.850 1.00 0.00 H new ATOM 0 HA PHE A 474 -0.580 -1.012 7.567 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -2.501 -2.048 6.561 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -2.272 -0.576 5.638 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -0.773 -0.846 3.484 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -2.746 -4.045 5.417 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -0.665 -2.188 1.377 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -2.639 -5.385 3.310 1.00 0.00 H new ATOM 0 HZ PHE A 474 -1.603 -4.438 1.315 1.00 0.00 H new ATOM 899 N GLN A 475 -0.038 -3.504 7.497 1.00 0.00 N ATOM 900 CA GLN A 475 0.609 -4.799 7.616 1.00 0.00 C ATOM 901 C GLN A 475 -0.393 -5.851 8.095 1.00 0.00 C ATOM 902 O GLN A 475 -1.158 -5.608 9.025 1.00 0.00 O ATOM 903 CB GLN A 475 1.814 -4.724 8.556 1.00 0.00 C ATOM 904 CG GLN A 475 1.452 -5.221 9.956 1.00 0.00 C ATOM 905 CD GLN A 475 1.418 -6.751 10.002 1.00 0.00 C ATOM 906 OE1 GLN A 475 0.372 -7.371 10.097 1.00 0.00 O ATOM 907 NE2 GLN A 475 2.617 -7.321 9.930 1.00 0.00 N ATOM 0 H GLN A 475 -0.746 -3.315 8.207 1.00 0.00 H new ATOM 0 HA GLN A 475 0.973 -5.093 6.632 1.00 0.00 H new ATOM 0 HB2 GLN A 475 2.631 -5.323 8.154 1.00 0.00 H new ATOM 0 HB3 GLN A 475 2.171 -3.696 8.613 1.00 0.00 H new ATOM 0 HG2 GLN A 475 2.179 -4.848 10.678 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.480 -4.823 10.247 1.00 0.00 H new ATOM 0 HE21 GLN A 475 3.453 -6.742 9.852 1.00 0.00 H new ATOM 0 HE22 GLN A 475 2.701 -8.337 9.953 1.00 0.00 H new ATOM 916 N CYS A 476 -0.356 -7.000 7.434 1.00 0.00 N ATOM 917 CA CYS A 476 -1.252 -8.090 7.778 1.00 0.00 C ATOM 918 C CYS A 476 -0.406 -9.278 8.243 1.00 0.00 C ATOM 919 O CYS A 476 0.679 -9.516 7.714 1.00 0.00 O ATOM 920 CB CYS A 476 -2.167 -8.463 6.610 1.00 0.00 C ATOM 921 SG CYS A 476 -1.371 -8.402 4.963 1.00 0.00 S ATOM 0 H CYS A 476 0.281 -7.199 6.662 1.00 0.00 H new ATOM 0 HA CYS A 476 -1.914 -7.778 8.585 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -2.552 -9.469 6.775 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -3.024 -7.790 6.609 1.00 0.00 H new ATOM 926 N ILE A 477 -0.936 -9.991 9.226 1.00 0.00 N ATOM 927 CA ILE A 477 -0.243 -11.149 9.766 1.00 0.00 C ATOM 928 C ILE A 477 -0.783 -12.417 9.105 1.00 0.00 C ATOM 929 O ILE A 477 -1.983 -12.532 8.861 1.00 0.00 O ATOM 930 CB ILE A 477 -0.337 -11.164 11.294 1.00 0.00 C ATOM 931 CG1 ILE A 477 0.764 -10.305 11.921 1.00 0.00 C ATOM 932 CG2 ILE A 477 -0.321 -12.596 11.830 1.00 0.00 C ATOM 933 CD1 ILE A 477 2.149 -10.786 11.485 1.00 0.00 C ATOM 0 H ILE A 477 -1.836 -9.790 9.662 1.00 0.00 H new ATOM 0 HA ILE A 477 0.821 -11.098 9.534 1.00 0.00 H new ATOM 0 HB ILE A 477 -1.292 -10.723 11.581 1.00 0.00 H new ATOM 0 HG12 ILE A 477 0.628 -9.264 11.629 1.00 0.00 H new ATOM 0 HG13 ILE A 477 0.687 -10.344 13.008 1.00 0.00 H new ATOM 0 HG21 ILE A 477 -0.389 -12.578 12.918 1.00 0.00 H new ATOM 0 HG22 ILE A 477 -1.169 -13.147 11.423 1.00 0.00 H new ATOM 0 HG23 ILE A 477 0.606 -13.086 11.532 1.00 0.00 H new ATOM 0 HD11 ILE A 477 2.913 -10.159 11.944 1.00 0.00 H new ATOM 0 HD12 ILE A 477 2.291 -11.820 11.800 1.00 0.00 H new ATOM 0 HD13 ILE A 477 2.231 -10.722 10.400 1.00 0.00 H new ATOM 945 N CYS A 478 0.129 -13.339 8.831 1.00 0.00 N ATOM 946 CA CYS A 478 -0.240 -14.596 8.201 1.00 0.00 C ATOM 947 C CYS A 478 -0.289 -15.678 9.282 1.00 0.00 C ATOM 948 O CYS A 478 0.472 -15.630 10.248 1.00 0.00 O ATOM 949 CB CYS A 478 0.717 -14.963 7.067 1.00 0.00 C ATOM 950 SG CYS A 478 0.793 -13.748 5.701 1.00 0.00 S ATOM 0 H CYS A 478 1.124 -13.240 9.034 1.00 0.00 H new ATOM 0 HA CYS A 478 -1.223 -14.500 7.740 1.00 0.00 H new ATOM 0 HB2 CYS A 478 1.718 -15.086 7.481 1.00 0.00 H new ATOM 0 HB3 CYS A 478 0.420 -15.929 6.659 1.00 0.00 H new ATOM 955 N MET A 479 -1.191 -16.627 9.083 1.00 0.00 N ATOM 956 CA MET A 479 -1.349 -17.721 10.027 1.00 0.00 C ATOM 957 C MET A 479 -0.482 -18.917 9.631 1.00 0.00 C ATOM 958 O MET A 479 -0.183 -19.108 8.452 1.00 0.00 O ATOM 959 CB MET A 479 -2.817 -18.146 10.075 1.00 0.00 C ATOM 960 CG MET A 479 -3.737 -16.930 10.207 1.00 0.00 C ATOM 961 SD MET A 479 -4.274 -16.752 11.900 1.00 0.00 S ATOM 962 CE MET A 479 -5.560 -15.533 11.691 1.00 0.00 C ATOM 0 H MET A 479 -1.821 -16.662 8.281 1.00 0.00 H new ATOM 0 HA MET A 479 -1.030 -17.376 11.011 1.00 0.00 H new ATOM 0 HB2 MET A 479 -3.068 -18.700 9.171 1.00 0.00 H new ATOM 0 HB3 MET A 479 -2.977 -18.820 10.917 1.00 0.00 H new ATOM 0 HG2 MET A 479 -3.212 -16.030 9.887 1.00 0.00 H new ATOM 0 HG3 MET A 479 -4.601 -17.045 9.553 1.00 0.00 H new ATOM 0 HE1 MET A 479 -6.005 -15.304 12.659 1.00 0.00 H new ATOM 0 HE2 MET A 479 -5.135 -14.625 11.264 1.00 0.00 H new ATOM 0 HE3 MET A 479 -6.327 -15.924 11.022 1.00 0.00 H new ATOM 972 N PRO A 480 -0.093 -19.713 10.664 1.00 0.00 N ATOM 973 CA PRO A 480 0.733 -20.886 10.434 1.00 0.00 C ATOM 974 C PRO A 480 -0.087 -22.022 9.822 1.00 0.00 C ATOM 975 O PRO A 480 -0.552 -22.912 10.534 1.00 0.00 O ATOM 976 CB PRO A 480 1.306 -21.234 11.798 1.00 0.00 C ATOM 977 CG PRO A 480 0.420 -20.534 12.816 1.00 0.00 C ATOM 978 CD PRO A 480 -0.428 -19.517 12.072 1.00 0.00 C ATOM 0 HA PRO A 480 1.532 -20.705 9.715 1.00 0.00 H new ATOM 0 HB2 PRO A 480 1.307 -22.312 11.957 1.00 0.00 H new ATOM 0 HB3 PRO A 480 2.339 -20.899 11.884 1.00 0.00 H new ATOM 0 HG2 PRO A 480 -0.214 -21.256 13.331 1.00 0.00 H new ATOM 0 HG3 PRO A 480 1.027 -20.042 13.576 1.00 0.00 H new ATOM 0 HD2 PRO A 480 -1.491 -19.680 12.252 1.00 0.00 H new ATOM 0 HD3 PRO A 480 -0.202 -18.501 12.395 1.00 0.00 H new ATOM 986 N GLY A 481 -0.240 -21.957 8.508 1.00 0.00 N ATOM 987 CA GLY A 481 -0.996 -22.970 7.791 1.00 0.00 C ATOM 988 C GLY A 481 -1.178 -22.583 6.322 1.00 0.00 C ATOM 989 O GLY A 481 -1.240 -23.450 5.452 1.00 0.00 O ATOM 0 H GLY A 481 0.147 -21.218 7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 481 -0.480 -23.928 7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 481 -1.971 -23.100 8.260 1.00 0.00 H new ATOM 993 N TYR A 482 -1.257 -21.281 6.093 1.00 0.00 N ATOM 994 CA TYR A 482 -1.431 -20.768 4.745 1.00 0.00 C ATOM 995 C TYR A 482 -0.286 -19.826 4.365 1.00 0.00 C ATOM 996 O TYR A 482 0.533 -19.465 5.210 1.00 0.00 O ATOM 997 CB TYR A 482 -2.741 -19.978 4.759 1.00 0.00 C ATOM 998 CG TYR A 482 -3.986 -20.832 4.512 1.00 0.00 C ATOM 999 CD1 TYR A 482 -4.541 -21.558 5.547 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -4.553 -20.879 3.255 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -5.712 -22.362 5.315 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -5.724 -21.683 3.023 1.00 0.00 C ATOM 1003 CZ TYR A 482 -6.246 -22.386 4.064 1.00 0.00 C ATOM 1004 OH TYR A 482 -7.353 -23.146 3.845 1.00 0.00 O ATOM 0 H TYR A 482 -1.204 -20.566 6.818 1.00 0.00 H new ATOM 0 HA TYR A 482 -1.443 -21.584 4.023 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -2.841 -19.478 5.722 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -2.691 -19.198 3.999 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -4.096 -21.523 6.531 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -4.118 -20.312 2.445 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -6.157 -22.934 6.116 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -6.178 -21.727 2.044 1.00 0.00 H new ATOM 0 HH TYR A 482 -7.624 -23.066 2.907 1.00 0.00 H new ATOM 1014 N GLU A 483 -0.264 -19.456 3.092 1.00 0.00 N ATOM 1015 CA GLU A 483 0.767 -18.563 2.590 1.00 0.00 C ATOM 1016 C GLU A 483 0.192 -17.639 1.517 1.00 0.00 C ATOM 1017 O GLU A 483 -1.002 -17.688 1.225 1.00 0.00 O ATOM 1018 CB GLU A 483 1.961 -19.353 2.051 1.00 0.00 C ATOM 1019 CG GLU A 483 3.268 -18.585 2.263 1.00 0.00 C ATOM 1020 CD GLU A 483 4.190 -19.328 3.233 1.00 0.00 C ATOM 1021 OE1 GLU A 483 4.096 -20.557 3.359 1.00 0.00 O ATOM 1022 OE2 GLU A 483 5.028 -18.579 3.868 1.00 0.00 O ATOM 0 H GLU A 483 -0.943 -19.758 2.394 1.00 0.00 H new ATOM 0 HA GLU A 483 1.123 -17.949 3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 483 2.018 -20.320 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 483 1.820 -19.552 0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 483 3.774 -18.450 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 483 3.050 -17.590 2.652 1.00 0.00 H new ATOM 1030 N GLY A 484 1.068 -16.818 0.957 1.00 0.00 N ATOM 1031 CA GLY A 484 0.663 -15.883 -0.079 1.00 0.00 C ATOM 1032 C GLY A 484 0.608 -14.454 0.463 1.00 0.00 C ATOM 1033 O GLY A 484 0.930 -14.214 1.625 1.00 0.00 O ATOM 0 H GLY A 484 2.058 -16.781 1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 484 1.363 -15.933 -0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -0.315 -16.166 -0.467 1.00 0.00 H new ATOM 1037 N VAL A 485 0.197 -13.541 -0.406 1.00 0.00 N ATOM 1038 CA VAL A 485 0.096 -12.141 -0.029 1.00 0.00 C ATOM 1039 C VAL A 485 -1.198 -11.922 0.757 1.00 0.00 C ATOM 1040 O VAL A 485 -1.329 -10.936 1.481 1.00 0.00 O ATOM 1041 CB VAL A 485 0.197 -11.256 -1.273 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -1.140 -10.578 -1.574 1.00 0.00 C ATOM 1043 CG2 VAL A 485 1.314 -10.220 -1.119 1.00 0.00 C ATOM 0 H VAL A 485 -0.070 -13.744 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 485 0.924 -11.859 0.622 1.00 0.00 H new ATOM 0 HB VAL A 485 0.446 -11.896 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -1.040 -9.955 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -1.902 -11.338 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -1.432 -9.957 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 485 1.365 -9.604 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 485 1.107 -9.587 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 485 2.266 -10.730 -0.975 1.00 0.00 H new ATOM 1053 N HIS A 486 -2.121 -12.856 0.589 1.00 0.00 N ATOM 1054 CA HIS A 486 -3.399 -12.777 1.274 1.00 0.00 C ATOM 1055 C HIS A 486 -3.453 -13.827 2.385 1.00 0.00 C ATOM 1056 O HIS A 486 -4.505 -14.054 2.980 1.00 0.00 O ATOM 1057 CB HIS A 486 -4.556 -12.906 0.281 1.00 0.00 C ATOM 1058 CG HIS A 486 -4.448 -11.988 -0.912 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -4.718 -12.403 -2.205 1.00 0.00 N ATOM 1060 CD2 HIS A 486 -4.094 -10.674 -0.996 1.00 0.00 C ATOM 1061 CE1 HIS A 486 -4.532 -11.376 -3.022 1.00 0.00 C ATOM 1062 NE2 HIS A 486 -4.145 -10.306 -2.270 1.00 0.00 N ATOM 0 H HIS A 486 -2.009 -13.672 -0.012 1.00 0.00 H new ATOM 0 HA HIS A 486 -3.504 -11.798 1.742 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -4.606 -13.937 -0.070 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -5.492 -12.700 0.801 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -3.819 -10.040 -0.166 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -4.664 -11.385 -4.094 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -3.930 -9.375 -2.628 1.00 0.00 H new ATOM 1070 N CYS A 487 -2.304 -14.442 2.631 1.00 0.00 N ATOM 1071 CA CYS A 487 -2.207 -15.462 3.660 1.00 0.00 C ATOM 1072 C CYS A 487 -3.430 -16.374 3.550 1.00 0.00 C ATOM 1073 O CYS A 487 -3.866 -16.956 4.542 1.00 0.00 O ATOM 1074 CB CYS A 487 -2.075 -14.849 5.055 1.00 0.00 C ATOM 1075 SG CYS A 487 -1.057 -13.329 5.133 1.00 0.00 S ATOM 0 H CYS A 487 -1.433 -14.253 2.135 1.00 0.00 H new ATOM 0 HA CYS A 487 -1.302 -16.050 3.507 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -3.072 -14.621 5.432 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -1.643 -15.593 5.724 1.00 0.00 H new ATOM 1080 N GLU A 488 -3.951 -16.470 2.336 1.00 0.00 N ATOM 1081 CA GLU A 488 -5.116 -17.300 2.084 1.00 0.00 C ATOM 1082 C GLU A 488 -4.766 -18.422 1.105 1.00 0.00 C ATOM 1083 O GLU A 488 -5.641 -19.175 0.680 1.00 0.00 O ATOM 1084 CB GLU A 488 -6.285 -16.462 1.562 1.00 0.00 C ATOM 1085 CG GLU A 488 -6.153 -16.212 0.058 1.00 0.00 C ATOM 1086 CD GLU A 488 -7.159 -17.055 -0.727 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -7.705 -18.031 -0.190 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -7.371 -16.664 -1.938 1.00 0.00 O ATOM 0 H GLU A 488 -3.587 -15.986 1.515 1.00 0.00 H new ATOM 0 HA GLU A 488 -5.428 -17.750 3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -7.225 -16.974 1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -6.319 -15.510 2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -6.314 -15.155 -0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -5.140 -16.451 -0.267 1.00 0.00 H new ATOM 1096 N VAL A 489 -3.485 -18.498 0.775 1.00 0.00 N ATOM 1097 CA VAL A 489 -3.009 -19.516 -0.146 1.00 0.00 C ATOM 1098 C VAL A 489 -2.631 -20.772 0.641 1.00 0.00 C ATOM 1099 O VAL A 489 -1.569 -20.825 1.260 1.00 0.00 O ATOM 1100 CB VAL A 489 -1.852 -18.964 -0.983 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -1.634 -19.808 -2.240 1.00 0.00 C ATOM 1102 CG2 VAL A 489 -2.089 -17.496 -1.344 1.00 0.00 C ATOM 0 H VAL A 489 -2.762 -17.871 1.129 1.00 0.00 H new ATOM 0 HA VAL A 489 -3.796 -19.796 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 489 -0.946 -19.020 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -0.807 -19.395 -2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -1.400 -20.833 -1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -2.540 -19.798 -2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 489 -1.253 -17.128 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 489 -3.010 -17.407 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 489 -2.173 -16.906 -0.431 1.00 0.00 H new ATOM 1112 N ASN A 490 -3.520 -21.753 0.589 1.00 0.00 N ATOM 1113 CA ASN A 490 -3.293 -23.006 1.288 1.00 0.00 C ATOM 1114 C ASN A 490 -2.075 -23.710 0.686 1.00 0.00 C ATOM 1115 O ASN A 490 -2.208 -24.485 -0.260 1.00 0.00 O ATOM 1116 CB ASN A 490 -4.497 -23.941 1.149 1.00 0.00 C ATOM 1117 CG ASN A 490 -5.123 -23.823 -0.240 1.00 0.00 C ATOM 1118 OD1 ASN A 490 -4.534 -23.304 -1.173 1.00 0.00 O ATOM 1119 ND2 ASN A 490 -6.349 -24.332 -0.326 1.00 0.00 N ATOM 0 H ASN A 490 -4.399 -21.705 0.074 1.00 0.00 H new ATOM 0 HA ASN A 490 -3.133 -22.779 2.342 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -4.185 -24.970 1.325 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -5.240 -23.699 1.909 1.00 0.00 H new ATOM 0 HD21 ASN A 490 -6.853 -24.301 -1.212 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -6.785 -24.753 0.494 1.00 0.00 H new ATOM 1126 N THR A 491 -0.917 -23.414 1.256 1.00 0.00 N ATOM 1127 CA THR A 491 0.323 -24.008 0.786 1.00 0.00 C ATOM 1128 C THR A 491 0.474 -23.802 -0.722 1.00 0.00 C ATOM 1129 O THR A 491 -0.486 -23.444 -1.403 1.00 0.00 O ATOM 1130 CB THR A 491 0.329 -25.480 1.202 1.00 0.00 C ATOM 1131 OG1 THR A 491 1.657 -25.705 1.665 1.00 0.00 O ATOM 1132 CG2 THR A 491 0.185 -26.426 0.008 1.00 0.00 C ATOM 0 H THR A 491 -0.811 -22.770 2.040 1.00 0.00 H new ATOM 0 HA THR A 491 1.190 -23.525 1.237 1.00 0.00 H new ATOM 0 HB THR A 491 -0.481 -25.661 1.908 1.00 0.00 H new ATOM 0 HG1 THR A 491 1.748 -26.636 1.956 1.00 0.00 H new ATOM 0 HG21 THR A 491 0.195 -27.458 0.358 1.00 0.00 H new ATOM 0 HG22 THR A 491 -0.756 -26.226 -0.503 1.00 0.00 H new ATOM 0 HG23 THR A 491 1.014 -26.269 -0.683 1.00 0.00 H new ATOM 1140 N ASP A 492 1.687 -24.037 -1.201 1.00 0.00 N ATOM 1141 CA ASP A 492 1.977 -23.882 -2.615 1.00 0.00 C ATOM 1142 C ASP A 492 1.589 -25.164 -3.356 1.00 0.00 C ATOM 1143 O ASP A 492 1.749 -26.263 -2.824 1.00 0.00 O ATOM 1144 CB ASP A 492 3.469 -23.636 -2.850 1.00 0.00 C ATOM 1145 CG ASP A 492 3.875 -23.465 -4.314 1.00 0.00 C ATOM 1146 OD1 ASP A 492 4.834 -24.093 -4.788 1.00 0.00 O ATOM 1147 OD2 ASP A 492 3.151 -22.637 -4.989 1.00 0.00 O ATOM 0 H ASP A 492 2.481 -24.334 -0.633 1.00 0.00 H new ATOM 0 HA ASP A 492 1.408 -23.028 -2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 492 3.765 -22.743 -2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 492 4.030 -24.470 -2.429 1.00 0.00 H new ATOM 1153 N GLU A 493 1.087 -24.982 -4.568 1.00 0.00 N ATOM 1154 CA GLU A 493 0.674 -26.111 -5.385 1.00 0.00 C ATOM 1155 C GLU A 493 1.679 -26.341 -6.516 1.00 0.00 C ATOM 1156 O GLU A 493 1.565 -27.311 -7.262 1.00 0.00 O ATOM 1157 CB GLU A 493 -0.736 -25.901 -5.938 1.00 0.00 C ATOM 1158 CG GLU A 493 -1.789 -26.476 -4.988 1.00 0.00 C ATOM 1159 CD GLU A 493 -2.070 -25.514 -3.833 1.00 0.00 C ATOM 1160 OE1 GLU A 493 -1.156 -25.192 -3.058 1.00 0.00 O ATOM 1161 OE2 GLU A 493 -3.288 -25.097 -3.754 1.00 0.00 O ATOM 0 H GLU A 493 0.957 -24.069 -5.005 1.00 0.00 H new ATOM 0 HA GLU A 493 0.652 -27.002 -4.757 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -0.917 -24.837 -6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -0.822 -26.378 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -2.711 -26.670 -5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -1.445 -27.432 -4.594 1.00 0.00 H new ATOM 1169 N CYS A 494 2.637 -25.431 -6.607 1.00 0.00 N ATOM 1170 CA CYS A 494 3.661 -25.523 -7.636 1.00 0.00 C ATOM 1171 C CYS A 494 5.021 -25.663 -6.949 1.00 0.00 C ATOM 1172 O CYS A 494 6.012 -25.094 -7.404 1.00 0.00 O ATOM 1173 CB CYS A 494 3.619 -24.322 -8.583 1.00 0.00 C ATOM 1174 SG CYS A 494 3.251 -22.720 -7.777 1.00 0.00 S ATOM 0 H CYS A 494 2.727 -24.627 -5.986 1.00 0.00 H new ATOM 0 HA CYS A 494 3.479 -26.399 -8.258 1.00 0.00 H new ATOM 0 HB2 CYS A 494 4.580 -24.244 -9.091 1.00 0.00 H new ATOM 0 HB3 CYS A 494 2.867 -24.508 -9.350 1.00 0.00 H new ATOM 1179 N ALA A 495 5.024 -26.421 -5.862 1.00 0.00 N ATOM 1180 CA ALA A 495 6.246 -26.643 -5.108 1.00 0.00 C ATOM 1181 C ALA A 495 7.143 -27.618 -5.873 1.00 0.00 C ATOM 1182 O ALA A 495 8.362 -27.602 -5.712 1.00 0.00 O ATOM 1183 CB ALA A 495 5.897 -27.148 -3.707 1.00 0.00 C ATOM 0 H ALA A 495 4.200 -26.889 -5.486 1.00 0.00 H new ATOM 0 HA ALA A 495 6.799 -25.711 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 495 6.814 -27.315 -3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 495 5.284 -26.406 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 495 5.344 -28.084 -3.785 1.00 0.00 H new ATOM 1189 N SER A 496 6.504 -28.444 -6.688 1.00 0.00 N ATOM 1190 CA SER A 496 7.229 -29.425 -7.478 1.00 0.00 C ATOM 1191 C SER A 496 8.058 -28.722 -8.553 1.00 0.00 C ATOM 1192 O SER A 496 9.275 -28.603 -8.425 1.00 0.00 O ATOM 1193 CB SER A 496 6.272 -30.432 -8.120 1.00 0.00 C ATOM 1194 OG SER A 496 6.476 -31.753 -7.626 1.00 0.00 O ATOM 0 H SER A 496 5.492 -28.454 -6.819 1.00 0.00 H new ATOM 0 HA SER A 496 7.897 -29.972 -6.813 1.00 0.00 H new ATOM 0 HB2 SER A 496 5.243 -30.128 -7.927 1.00 0.00 H new ATOM 0 HB3 SER A 496 6.410 -30.424 -9.201 1.00 0.00 H new ATOM 0 HG SER A 496 5.845 -32.365 -8.059 1.00 0.00 H new ATOM 1200 N SER A 497 7.366 -28.273 -9.590 1.00 0.00 N ATOM 1201 CA SER A 497 8.024 -27.584 -10.688 1.00 0.00 C ATOM 1202 C SER A 497 7.314 -26.259 -10.974 1.00 0.00 C ATOM 1203 O SER A 497 6.234 -26.244 -11.563 1.00 0.00 O ATOM 1204 CB SER A 497 8.051 -28.453 -11.947 1.00 0.00 C ATOM 1205 OG SER A 497 9.291 -29.140 -12.094 1.00 0.00 O ATOM 0 H SER A 497 6.356 -28.373 -9.693 1.00 0.00 H new ATOM 0 HA SER A 497 9.055 -27.382 -10.396 1.00 0.00 H new ATOM 0 HB2 SER A 497 7.238 -29.177 -11.905 1.00 0.00 H new ATOM 0 HB3 SER A 497 7.876 -27.828 -12.823 1.00 0.00 H new ATOM 0 HG SER A 497 9.268 -29.685 -12.908 1.00 0.00 H new ATOM 1211 N PRO A 498 7.967 -25.151 -10.532 1.00 0.00 N ATOM 1212 CA PRO A 498 7.410 -23.824 -10.734 1.00 0.00 C ATOM 1213 C PRO A 498 7.568 -23.378 -12.189 1.00 0.00 C ATOM 1214 O PRO A 498 7.056 -22.331 -12.581 1.00 0.00 O ATOM 1215 CB PRO A 498 8.155 -22.931 -9.755 1.00 0.00 C ATOM 1216 CG PRO A 498 9.416 -23.691 -9.374 1.00 0.00 C ATOM 1217 CD PRO A 498 9.247 -25.132 -9.830 1.00 0.00 C ATOM 0 HA PRO A 498 6.336 -23.786 -10.549 1.00 0.00 H new ATOM 0 HB2 PRO A 498 8.400 -21.971 -10.210 1.00 0.00 H new ATOM 0 HB3 PRO A 498 7.545 -22.721 -8.876 1.00 0.00 H new ATOM 0 HG2 PRO A 498 10.290 -23.241 -9.845 1.00 0.00 H new ATOM 0 HG3 PRO A 498 9.577 -23.648 -8.297 1.00 0.00 H new ATOM 0 HD2 PRO A 498 10.063 -25.438 -10.485 1.00 0.00 H new ATOM 0 HD3 PRO A 498 9.244 -25.818 -8.983 1.00 0.00 H new ATOM 1225 N CYS A 499 8.279 -24.198 -12.951 1.00 0.00 N ATOM 1226 CA CYS A 499 8.512 -23.900 -14.354 1.00 0.00 C ATOM 1227 C CYS A 499 8.778 -22.400 -14.491 1.00 0.00 C ATOM 1228 O CYS A 499 8.074 -21.706 -15.223 1.00 0.00 O ATOM 1229 CB CYS A 499 7.343 -24.355 -15.229 1.00 0.00 C ATOM 1230 SG CYS A 499 5.752 -24.548 -14.345 1.00 0.00 S ATOM 0 H CYS A 499 8.700 -25.067 -12.623 1.00 0.00 H new ATOM 0 HA CYS A 499 9.382 -24.454 -14.706 1.00 0.00 H new ATOM 0 HB2 CYS A 499 7.209 -23.634 -16.036 1.00 0.00 H new ATOM 0 HB3 CYS A 499 7.603 -25.307 -15.692 1.00 0.00 H new ATOM 1235 N LEU A 500 9.794 -21.944 -13.774 1.00 0.00 N ATOM 1236 CA LEU A 500 10.161 -20.538 -13.807 1.00 0.00 C ATOM 1237 C LEU A 500 10.888 -20.235 -15.118 1.00 0.00 C ATOM 1238 O LEU A 500 11.383 -21.144 -15.782 1.00 0.00 O ATOM 1239 CB LEU A 500 10.965 -20.166 -12.559 1.00 0.00 C ATOM 1240 CG LEU A 500 12.456 -20.512 -12.592 1.00 0.00 C ATOM 1241 CD1 LEU A 500 13.141 -20.113 -11.285 1.00 0.00 C ATOM 1242 CD2 LEU A 500 12.667 -21.991 -12.921 1.00 0.00 C ATOM 0 H LEU A 500 10.375 -22.523 -13.167 1.00 0.00 H new ATOM 0 HA LEU A 500 9.270 -19.911 -13.784 1.00 0.00 H new ATOM 0 HB2 LEU A 500 10.865 -19.093 -12.393 1.00 0.00 H new ATOM 0 HB3 LEU A 500 10.516 -20.664 -11.700 1.00 0.00 H new ATOM 0 HG LEU A 500 12.923 -19.934 -13.389 1.00 0.00 H new ATOM 0 HD11 LEU A 500 14.199 -20.370 -11.336 1.00 0.00 H new ATOM 0 HD12 LEU A 500 13.035 -19.039 -11.132 1.00 0.00 H new ATOM 0 HD13 LEU A 500 12.678 -20.645 -10.454 1.00 0.00 H new ATOM 0 HD21 LEU A 500 13.734 -22.211 -12.938 1.00 0.00 H new ATOM 0 HD22 LEU A 500 12.182 -22.605 -12.162 1.00 0.00 H new ATOM 0 HD23 LEU A 500 12.235 -22.212 -13.897 1.00 0.00 H new ATOM 1254 N HIS A 501 10.929 -18.954 -15.453 1.00 0.00 N ATOM 1255 CA HIS A 501 11.585 -18.520 -16.674 1.00 0.00 C ATOM 1256 C HIS A 501 10.777 -18.986 -17.886 1.00 0.00 C ATOM 1257 O HIS A 501 10.331 -18.170 -18.690 1.00 0.00 O ATOM 1258 CB HIS A 501 13.037 -19.000 -16.709 1.00 0.00 C ATOM 1259 CG HIS A 501 14.027 -18.005 -16.153 1.00 0.00 C ATOM 1260 ND1 HIS A 501 14.924 -17.313 -16.951 1.00 0.00 N ATOM 1261 CD2 HIS A 501 14.253 -17.593 -14.873 1.00 0.00 C ATOM 1262 CE1 HIS A 501 15.650 -16.523 -16.174 1.00 0.00 C ATOM 1263 NE2 HIS A 501 15.234 -16.699 -14.885 1.00 0.00 N ATOM 0 H HIS A 501 10.518 -18.202 -14.899 1.00 0.00 H new ATOM 0 HA HIS A 501 11.622 -17.431 -16.704 1.00 0.00 H new ATOM 0 HB2 HIS A 501 13.115 -19.929 -16.144 1.00 0.00 H new ATOM 0 HB3 HIS A 501 13.308 -19.230 -17.739 1.00 0.00 H new ATOM 0 HD2 HIS A 501 13.723 -17.936 -13.997 1.00 0.00 H new ATOM 0 HE1 HIS A 501 16.434 -15.856 -16.502 1.00 0.00 H new ATOM 0 HE2 HIS A 501 15.614 -16.222 -14.067 1.00 0.00 H new ATOM 1271 N ASN A 502 10.613 -20.298 -17.979 1.00 0.00 N ATOM 1272 CA ASN A 502 9.865 -20.882 -19.079 1.00 0.00 C ATOM 1273 C ASN A 502 8.367 -20.791 -18.779 1.00 0.00 C ATOM 1274 O ASN A 502 7.539 -21.100 -19.633 1.00 0.00 O ATOM 1275 CB ASN A 502 10.222 -22.359 -19.263 1.00 0.00 C ATOM 1276 CG ASN A 502 10.389 -22.701 -20.745 1.00 0.00 C ATOM 1277 OD1 ASN A 502 11.267 -22.201 -21.428 1.00 0.00 O ATOM 1278 ND2 ASN A 502 9.501 -23.580 -21.202 1.00 0.00 N ATOM 0 H ASN A 502 10.985 -20.973 -17.311 1.00 0.00 H new ATOM 0 HA ASN A 502 10.116 -20.333 -19.987 1.00 0.00 H new ATOM 0 HB2 ASN A 502 11.145 -22.583 -18.728 1.00 0.00 H new ATOM 0 HB3 ASN A 502 9.441 -22.983 -18.828 1.00 0.00 H new ATOM 0 HD21 ASN A 502 9.530 -23.874 -22.178 1.00 0.00 H new ATOM 0 HD22 ASN A 502 8.791 -23.960 -20.576 1.00 0.00 H new ATOM 1285 N GLY A 503 8.066 -20.365 -17.561 1.00 0.00 N ATOM 1286 CA GLY A 503 6.683 -20.229 -17.137 1.00 0.00 C ATOM 1287 C GLY A 503 6.595 -19.604 -15.743 1.00 0.00 C ATOM 1288 O GLY A 503 7.617 -19.372 -15.097 1.00 0.00 O ATOM 0 H GLY A 503 8.756 -20.110 -16.855 1.00 0.00 H new ATOM 0 HA2 GLY A 503 6.139 -19.611 -17.851 1.00 0.00 H new ATOM 0 HA3 GLY A 503 6.203 -21.207 -17.132 1.00 0.00 H new ATOM 1292 N ARG A 504 5.366 -19.348 -15.319 1.00 0.00 N ATOM 1293 CA ARG A 504 5.132 -18.755 -14.014 1.00 0.00 C ATOM 1294 C ARG A 504 4.096 -19.570 -13.238 1.00 0.00 C ATOM 1295 O ARG A 504 2.926 -19.616 -13.617 1.00 0.00 O ATOM 1296 CB ARG A 504 4.642 -17.311 -14.146 1.00 0.00 C ATOM 1297 CG ARG A 504 5.699 -16.325 -13.649 1.00 0.00 C ATOM 1298 CD ARG A 504 5.056 -15.018 -13.183 1.00 0.00 C ATOM 1299 NE ARG A 504 5.930 -14.347 -12.195 1.00 0.00 N ATOM 1300 CZ ARG A 504 7.126 -13.796 -12.493 1.00 0.00 C ATOM 1301 NH1 ARG A 504 7.601 -13.834 -13.757 1.00 0.00 N ATOM 1302 NH2 ARG A 504 7.824 -13.222 -11.532 1.00 0.00 N ATOM 0 H ARG A 504 4.521 -19.541 -15.857 1.00 0.00 H new ATOM 0 HA ARG A 504 6.079 -18.758 -13.474 1.00 0.00 H new ATOM 0 HB2 ARG A 504 4.403 -17.098 -15.188 1.00 0.00 H new ATOM 0 HB3 ARG A 504 3.722 -17.182 -13.575 1.00 0.00 H new ATOM 0 HG2 ARG A 504 6.260 -16.771 -12.828 1.00 0.00 H new ATOM 0 HG3 ARG A 504 6.412 -16.119 -14.447 1.00 0.00 H new ATOM 0 HD2 ARG A 504 4.888 -14.362 -14.037 1.00 0.00 H new ATOM 0 HD3 ARG A 504 4.081 -15.221 -12.740 1.00 0.00 H new ATOM 0 HE ARG A 504 5.609 -14.298 -11.228 1.00 0.00 H new ATOM 0 HH11 ARG A 504 7.055 -14.281 -14.494 1.00 0.00 H new ATOM 0 HH12 ARG A 504 8.505 -13.416 -13.975 1.00 0.00 H new ATOM 0 HH21 ARG A 504 7.458 -13.199 -10.580 1.00 0.00 H new ATOM 0 HH22 ARG A 504 8.729 -12.801 -11.741 1.00 0.00 H new ATOM 1315 N CYS A 505 4.562 -20.193 -12.166 1.00 0.00 N ATOM 1316 CA CYS A 505 3.690 -21.004 -11.334 1.00 0.00 C ATOM 1317 C CYS A 505 2.831 -20.067 -10.482 1.00 0.00 C ATOM 1318 O CYS A 505 3.357 -19.260 -9.717 1.00 0.00 O ATOM 1319 CB CYS A 505 4.484 -21.988 -10.473 1.00 0.00 C ATOM 1320 SG CYS A 505 4.691 -21.487 -8.725 1.00 0.00 S ATOM 0 H CYS A 505 5.532 -20.153 -11.854 1.00 0.00 H new ATOM 0 HA CYS A 505 3.045 -21.614 -11.966 1.00 0.00 H new ATOM 0 HB2 CYS A 505 3.986 -22.957 -10.502 1.00 0.00 H new ATOM 0 HB3 CYS A 505 5.470 -22.123 -10.917 1.00 0.00 H new ATOM 1325 N LEU A 506 1.523 -20.205 -10.644 1.00 0.00 N ATOM 1326 CA LEU A 506 0.585 -19.382 -9.900 1.00 0.00 C ATOM 1327 C LEU A 506 0.078 -20.162 -8.687 1.00 0.00 C ATOM 1328 O LEU A 506 -0.333 -21.315 -8.813 1.00 0.00 O ATOM 1329 CB LEU A 506 -0.529 -18.877 -10.818 1.00 0.00 C ATOM 1330 CG LEU A 506 -0.602 -17.361 -11.016 1.00 0.00 C ATOM 1331 CD1 LEU A 506 0.667 -16.836 -11.691 1.00 0.00 C ATOM 1332 CD2 LEU A 506 -1.864 -16.968 -11.785 1.00 0.00 C ATOM 0 H LEU A 506 1.091 -20.875 -11.280 1.00 0.00 H new ATOM 0 HA LEU A 506 1.081 -18.489 -9.519 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -0.408 -19.345 -11.795 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -1.484 -19.217 -10.418 1.00 0.00 H new ATOM 0 HG LEU A 506 -0.664 -16.891 -10.035 1.00 0.00 H new ATOM 0 HD11 LEU A 506 0.590 -15.756 -11.820 1.00 0.00 H new ATOM 0 HD12 LEU A 506 1.532 -17.066 -11.069 1.00 0.00 H new ATOM 0 HD13 LEU A 506 0.784 -17.311 -12.665 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -1.891 -15.886 -11.912 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -1.858 -17.448 -12.764 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -2.744 -17.290 -11.229 1.00 0.00 H new ATOM 1344 N ASP A 507 0.122 -19.504 -7.537 1.00 0.00 N ATOM 1345 CA ASP A 507 -0.328 -20.122 -6.303 1.00 0.00 C ATOM 1346 C ASP A 507 -1.834 -19.903 -6.147 1.00 0.00 C ATOM 1347 O ASP A 507 -2.266 -18.858 -5.662 1.00 0.00 O ATOM 1348 CB ASP A 507 0.367 -19.501 -5.090 1.00 0.00 C ATOM 1349 CG ASP A 507 0.621 -20.464 -3.928 1.00 0.00 C ATOM 1350 OD1 ASP A 507 1.539 -20.260 -3.118 1.00 0.00 O ATOM 1351 OD2 ASP A 507 -0.183 -21.472 -3.869 1.00 0.00 O ATOM 0 H ASP A 507 0.463 -18.548 -7.435 1.00 0.00 H new ATOM 0 HA ASP A 507 -0.088 -21.184 -6.352 1.00 0.00 H new ATOM 0 HB2 ASP A 507 1.321 -19.083 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -0.239 -18.671 -4.728 1.00 0.00 H new ATOM 1357 N LYS A 508 -2.593 -20.905 -6.569 1.00 0.00 N ATOM 1358 CA LYS A 508 -4.041 -20.833 -6.482 1.00 0.00 C ATOM 1359 C LYS A 508 -4.520 -21.682 -5.302 1.00 0.00 C ATOM 1360 O LYS A 508 -3.904 -22.694 -4.971 1.00 0.00 O ATOM 1361 CB LYS A 508 -4.678 -21.224 -7.818 1.00 0.00 C ATOM 1362 CG LYS A 508 -4.192 -20.308 -8.944 1.00 0.00 C ATOM 1363 CD LYS A 508 -5.355 -19.517 -9.547 1.00 0.00 C ATOM 1364 CE LYS A 508 -4.879 -18.642 -10.707 1.00 0.00 C ATOM 1365 NZ LYS A 508 -5.996 -18.362 -11.637 1.00 0.00 N ATOM 0 H LYS A 508 -2.232 -21.770 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 508 -4.360 -19.809 -6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -4.431 -22.259 -8.054 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -5.764 -21.165 -7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -3.440 -19.619 -8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -3.711 -20.903 -9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -6.124 -20.205 -9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 508 -5.812 -18.892 -8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -4.475 -17.706 -10.322 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -4.071 -19.143 -11.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -5.656 -17.767 -12.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -6.363 -19.257 -12.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -6.755 -17.865 -11.128 1.00 0.00 H new ATOM 1378 N ILE A 509 -5.614 -21.239 -4.702 1.00 0.00 N ATOM 1379 CA ILE A 509 -6.182 -21.945 -3.565 1.00 0.00 C ATOM 1380 C ILE A 509 -7.037 -23.110 -4.070 1.00 0.00 C ATOM 1381 O ILE A 509 -8.248 -23.133 -3.856 1.00 0.00 O ATOM 1382 CB ILE A 509 -6.938 -20.975 -2.656 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -7.885 -20.088 -3.466 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -5.969 -20.152 -1.804 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -9.220 -19.903 -2.740 1.00 0.00 C ATOM 0 H ILE A 509 -6.123 -20.400 -4.981 1.00 0.00 H new ATOM 0 HA ILE A 509 -5.392 -22.373 -2.948 1.00 0.00 H new ATOM 0 HB ILE A 509 -7.552 -21.559 -1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -7.422 -19.116 -3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -8.058 -20.534 -4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -6.533 -19.471 -1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -5.373 -20.820 -1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -5.310 -19.578 -2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -9.874 -19.268 -3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -9.692 -20.874 -2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -9.046 -19.434 -1.772 1.00 0.00 H new ATOM 1397 N ASN A 510 -6.374 -24.047 -4.729 1.00 0.00 N ATOM 1398 CA ASN A 510 -7.057 -25.211 -5.266 1.00 0.00 C ATOM 1399 C ASN A 510 -6.094 -25.997 -6.158 1.00 0.00 C ATOM 1400 O ASN A 510 -6.142 -27.225 -6.199 1.00 0.00 O ATOM 1401 CB ASN A 510 -8.261 -24.800 -6.115 1.00 0.00 C ATOM 1402 CG ASN A 510 -7.996 -23.477 -6.837 1.00 0.00 C ATOM 1403 OD1 ASN A 510 -6.868 -23.113 -7.127 1.00 0.00 O ATOM 1404 ND2 ASN A 510 -9.096 -22.779 -7.108 1.00 0.00 N ATOM 0 H ASN A 510 -5.369 -24.024 -4.904 1.00 0.00 H new ATOM 0 HA ASN A 510 -7.398 -25.818 -4.427 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -8.479 -25.580 -6.845 1.00 0.00 H new ATOM 0 HB3 ASN A 510 -9.142 -24.702 -5.480 1.00 0.00 H new ATOM 0 HD21 ASN A 510 -9.025 -21.881 -7.587 1.00 0.00 H new ATOM 0 HD22 ASN A 510 -10.010 -23.142 -6.837 1.00 0.00 H new ATOM 1411 N GLU A 511 -5.242 -25.255 -6.851 1.00 0.00 N ATOM 1412 CA GLU A 511 -4.269 -25.868 -7.740 1.00 0.00 C ATOM 1413 C GLU A 511 -3.170 -24.865 -8.094 1.00 0.00 C ATOM 1414 O GLU A 511 -2.998 -23.857 -7.410 1.00 0.00 O ATOM 1415 CB GLU A 511 -4.944 -26.410 -9.001 1.00 0.00 C ATOM 1416 CG GLU A 511 -4.558 -27.870 -9.244 1.00 0.00 C ATOM 1417 CD GLU A 511 -5.025 -28.338 -10.625 1.00 0.00 C ATOM 1418 OE1 GLU A 511 -4.689 -27.710 -11.640 1.00 0.00 O ATOM 1419 OE2 GLU A 511 -5.764 -29.396 -10.620 1.00 0.00 O ATOM 0 H GLU A 511 -5.205 -24.236 -6.815 1.00 0.00 H new ATOM 0 HA GLU A 511 -3.812 -26.711 -7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 511 -6.026 -26.328 -8.903 1.00 0.00 H new ATOM 0 HB3 GLU A 511 -4.655 -25.806 -9.861 1.00 0.00 H new ATOM 0 HG2 GLU A 511 -3.477 -27.982 -9.164 1.00 0.00 H new ATOM 0 HG3 GLU A 511 -5.001 -28.500 -8.473 1.00 0.00 H new ATOM 1427 N PHE A 512 -2.453 -25.175 -9.166 1.00 0.00 N ATOM 1428 CA PHE A 512 -1.375 -24.312 -9.620 1.00 0.00 C ATOM 1429 C PHE A 512 -1.500 -24.023 -11.117 1.00 0.00 C ATOM 1430 O PHE A 512 -1.926 -24.881 -11.887 1.00 0.00 O ATOM 1431 CB PHE A 512 -0.066 -25.061 -9.365 1.00 0.00 C ATOM 1432 CG PHE A 512 -0.038 -26.479 -9.938 1.00 0.00 C ATOM 1433 CD1 PHE A 512 -0.847 -27.441 -9.417 1.00 0.00 C ATOM 1434 CD2 PHE A 512 0.796 -26.778 -10.971 1.00 0.00 C ATOM 1435 CE1 PHE A 512 -0.820 -28.756 -9.949 1.00 0.00 C ATOM 1436 CE2 PHE A 512 0.820 -28.095 -11.504 1.00 0.00 C ATOM 1437 CZ PHE A 512 0.012 -29.056 -10.982 1.00 0.00 C ATOM 0 H PHE A 512 -2.598 -26.011 -9.732 1.00 0.00 H new ATOM 0 HA PHE A 512 -1.410 -23.361 -9.089 1.00 0.00 H new ATOM 0 HB2 PHE A 512 0.757 -24.490 -9.795 1.00 0.00 H new ATOM 0 HB3 PHE A 512 0.108 -25.111 -8.290 1.00 0.00 H new ATOM 0 HD1 PHE A 512 -1.510 -27.203 -8.598 1.00 0.00 H new ATOM 0 HD2 PHE A 512 1.439 -26.015 -11.385 1.00 0.00 H new ATOM 0 HE1 PHE A 512 -1.461 -29.519 -9.533 1.00 0.00 H new ATOM 0 HE2 PHE A 512 1.481 -28.333 -12.325 1.00 0.00 H new ATOM 0 HZ PHE A 512 0.031 -30.057 -11.387 1.00 0.00 H new ATOM 1447 N GLN A 513 -1.118 -22.808 -11.486 1.00 0.00 N ATOM 1448 CA GLN A 513 -1.180 -22.394 -12.877 1.00 0.00 C ATOM 1449 C GLN A 513 0.198 -21.940 -13.358 1.00 0.00 C ATOM 1450 O GLN A 513 0.727 -20.935 -12.883 1.00 0.00 O ATOM 1451 CB GLN A 513 -2.221 -21.289 -13.073 1.00 0.00 C ATOM 1452 CG GLN A 513 -3.115 -21.585 -14.279 1.00 0.00 C ATOM 1453 CD GLN A 513 -4.571 -21.217 -13.987 1.00 0.00 C ATOM 1454 OE1 GLN A 513 -5.237 -21.822 -13.164 1.00 0.00 O ATOM 1455 NE2 GLN A 513 -5.026 -20.194 -14.706 1.00 0.00 N ATOM 0 H GLN A 513 -0.765 -22.098 -10.845 1.00 0.00 H new ATOM 0 HA GLN A 513 -1.488 -23.250 -13.477 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -2.833 -21.198 -12.176 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -1.719 -20.332 -13.214 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -2.761 -21.025 -15.144 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -3.048 -22.642 -14.535 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -4.414 -19.731 -15.379 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -5.986 -19.872 -14.584 1.00 0.00 H new ATOM 1464 N CYS A 514 0.742 -22.701 -14.296 1.00 0.00 N ATOM 1465 CA CYS A 514 2.051 -22.390 -14.847 1.00 0.00 C ATOM 1466 C CYS A 514 1.852 -21.535 -16.100 1.00 0.00 C ATOM 1467 O CYS A 514 2.102 -21.993 -17.215 1.00 0.00 O ATOM 1468 CB CYS A 514 2.857 -23.657 -15.141 1.00 0.00 C ATOM 1469 SG CYS A 514 4.585 -23.362 -15.666 1.00 0.00 S ATOM 0 H CYS A 514 0.301 -23.532 -14.689 1.00 0.00 H new ATOM 0 HA CYS A 514 2.634 -21.831 -14.115 1.00 0.00 H new ATOM 0 HB2 CYS A 514 2.865 -24.281 -14.247 1.00 0.00 H new ATOM 0 HB3 CYS A 514 2.347 -24.223 -15.921 1.00 0.00 H new ATOM 1474 N GLU A 515 1.405 -20.310 -15.877 1.00 0.00 N ATOM 1475 CA GLU A 515 1.169 -19.385 -16.974 1.00 0.00 C ATOM 1476 C GLU A 515 2.428 -19.253 -17.833 1.00 0.00 C ATOM 1477 O GLU A 515 3.392 -19.993 -17.649 1.00 0.00 O ATOM 1478 CB GLU A 515 0.711 -18.022 -16.456 1.00 0.00 C ATOM 1479 CG GLU A 515 1.857 -17.291 -15.750 1.00 0.00 C ATOM 1480 CD GLU A 515 1.572 -15.791 -15.651 1.00 0.00 C ATOM 1481 OE1 GLU A 515 0.960 -15.215 -16.563 1.00 0.00 O ATOM 1482 OE2 GLU A 515 2.010 -15.223 -14.579 1.00 0.00 O ATOM 0 H GLU A 515 1.199 -19.934 -14.951 1.00 0.00 H new ATOM 0 HA GLU A 515 0.368 -19.785 -17.596 1.00 0.00 H new ATOM 0 HB2 GLU A 515 0.346 -17.417 -17.286 1.00 0.00 H new ATOM 0 HB3 GLU A 515 -0.122 -18.152 -15.766 1.00 0.00 H new ATOM 0 HG2 GLU A 515 1.997 -17.705 -14.751 1.00 0.00 H new ATOM 0 HG3 GLU A 515 2.787 -17.453 -16.295 1.00 0.00 H new ATOM 1490 N CYS A 516 2.379 -18.301 -18.755 1.00 0.00 N ATOM 1491 CA CYS A 516 3.505 -18.061 -19.643 1.00 0.00 C ATOM 1492 C CYS A 516 4.309 -16.882 -19.090 1.00 0.00 C ATOM 1493 O CYS A 516 3.749 -15.980 -18.471 1.00 0.00 O ATOM 1494 CB CYS A 516 3.047 -17.813 -21.082 1.00 0.00 C ATOM 1495 SG CYS A 516 4.061 -16.610 -22.014 1.00 0.00 S ATOM 0 H CYS A 516 1.578 -17.688 -18.906 1.00 0.00 H new ATOM 0 HA CYS A 516 4.138 -18.947 -19.680 1.00 0.00 H new ATOM 0 HB2 CYS A 516 3.051 -18.762 -21.618 1.00 0.00 H new ATOM 0 HB3 CYS A 516 2.016 -17.461 -21.064 1.00 0.00 H new ATOM 0 HG CYS A 516 4.257 -15.551 -21.286 1.00 0.00 H new ATOM 1500 N PRO A 517 5.645 -16.931 -19.341 1.00 0.00 N ATOM 1501 CA PRO A 517 6.532 -15.878 -18.876 1.00 0.00 C ATOM 1502 C PRO A 517 6.383 -14.618 -19.730 1.00 0.00 C ATOM 1503 O PRO A 517 5.403 -14.470 -20.460 1.00 0.00 O ATOM 1504 CB PRO A 517 7.926 -16.481 -18.945 1.00 0.00 C ATOM 1505 CG PRO A 517 7.818 -17.675 -19.879 1.00 0.00 C ATOM 1506 CD PRO A 517 6.343 -17.984 -20.073 1.00 0.00 C ATOM 0 HA PRO A 517 6.302 -15.551 -17.862 1.00 0.00 H new ATOM 0 HB2 PRO A 517 8.647 -15.755 -19.321 1.00 0.00 H new ATOM 0 HB3 PRO A 517 8.268 -16.788 -17.957 1.00 0.00 H new ATOM 0 HG2 PRO A 517 8.291 -17.455 -20.836 1.00 0.00 H new ATOM 0 HG3 PRO A 517 8.336 -18.537 -19.458 1.00 0.00 H new ATOM 0 HD2 PRO A 517 6.073 -17.978 -21.129 1.00 0.00 H new ATOM 0 HD3 PRO A 517 6.091 -18.971 -19.685 1.00 0.00 H new