USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 774 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 502 ASN : amide:sc= 0.416 K(o=0.84,f=-9.4!) USER MOD Set 1.2: A 521 THR OG1 : rot 54:sc= 0.423 USER MOD Set 2.1: A 470 GLN :FLIP amide:sc= -0.483 F(o=-2.3,f=-0.71) USER MOD Set 2.2: A 475 GLN : amide:sc= -0.231 K(o=-0.71,f=-4.1) USER MOD Set 3.1: A 462 GLN :FLIP amide:sc= -0.58 F(o=-2.6!,f=-0.78) USER MOD Set 3.2: A 463 ASN :FLIP amide:sc= -0.199 F(o=-2.6,f=-0.78) USER MOD Single : A 411 GLN : amide:sc= 0.803 K(o=0.8,f=-6.8!) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 425 HIS :FLIP no HE2:sc= 0.133 F(o=-0.49,f=0.13) USER MOD Single : A 428 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0774) USER MOD Single : A 431 ASN : amide:sc= -4.08! C(o=-4.1!,f=-8!) USER MOD Single : A 432 THR OG1 : rot 141:sc= -7.05! USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 439 GLN : amide:sc=-0.00612 X(o=-0.0061,f=-0.17) USER MOD Single : A 442 GLN :FLIP amide:sc= -0.896! C(o=-2.3!,f=-0.9!) USER MOD Single : A 444 TYR OH : rot 166:sc= -4.57! USER MOD Single : A 445 THR OG1 : rot -149:sc= 0.00296! USER MOD Single : A 454 ASN : amide:sc= -9.09! C(o=-9.1!,f=-24!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN : amide:sc= -3.8! C(o=-3.8!,f=-3.9!) USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 479 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 486 HIS : no HD1:sc= -3.26! C(o=-3.3!,f=-3!) USER MOD Single : A 490 ASN : amide:sc= -2.04 X(o=-2,f=-1.9!) 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 :FLIP no HD1:sc= -1.33 F(o=-2.5!,f=-1.3) USER MOD Single : A 508 LYS NZ :NH3+ -137:sc= -0.0168 (180deg=-1.03) USER MOD Single : A 510 ASN :FLIP amide:sc= -0.481 F(o=-1.9,f=-0.48) USER MOD Single : A 513 GLN : amide:sc= -0.581 K(o=-0.58,f=-4.2!) USER MOD Single : A 518 THR OG1 : rot -56:sc= 1.02 USER MOD Single : A 523 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 526 GLN : amide:sc= -0.011 K(o=-0.011,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 411 -3.508 38.710 5.661 1.00 0.00 N ATOM 2 CA GLN A 411 -2.372 37.976 6.191 1.00 0.00 C ATOM 3 C GLN A 411 -2.717 36.491 6.325 1.00 0.00 C ATOM 4 O GLN A 411 -3.861 36.094 6.112 1.00 0.00 O ATOM 5 CB GLN A 411 -1.920 38.557 7.532 1.00 0.00 C ATOM 6 CG GLN A 411 -0.604 39.322 7.383 1.00 0.00 C ATOM 7 CD GLN A 411 0.593 38.417 7.683 1.00 0.00 C ATOM 8 OE1 GLN A 411 0.553 37.211 7.498 1.00 0.00 O ATOM 9 NE2 GLN A 411 1.655 39.062 8.152 1.00 0.00 N ATOM 0 HA GLN A 411 -1.542 38.075 5.492 1.00 0.00 H new ATOM 0 HB2 GLN A 411 -2.690 39.223 7.922 1.00 0.00 H new ATOM 0 HB3 GLN A 411 -1.797 37.753 8.258 1.00 0.00 H new ATOM 0 HG2 GLN A 411 -0.521 39.717 6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 411 -0.597 40.176 8.060 1.00 0.00 H new ATOM 0 HE21 GLN A 411 1.621 40.073 8.283 1.00 0.00 H new ATOM 0 HE22 GLN A 411 2.505 38.546 8.381 1.00 0.00 H new ATOM 18 N ASP A 412 -1.704 35.712 6.676 1.00 0.00 N ATOM 19 CA ASP A 412 -1.885 34.279 6.842 1.00 0.00 C ATOM 20 C ASP A 412 -1.101 33.807 8.067 1.00 0.00 C ATOM 21 O ASP A 412 -0.068 34.383 8.405 1.00 0.00 O ATOM 22 CB ASP A 412 -1.365 33.514 5.623 1.00 0.00 C ATOM 23 CG ASP A 412 -1.274 31.997 5.801 1.00 0.00 C ATOM 24 OD1 ASP A 412 -0.214 31.392 5.583 1.00 0.00 O ATOM 25 OD2 ASP A 412 -2.365 31.427 6.188 1.00 0.00 O ATOM 0 H ASP A 412 -0.756 36.045 6.850 1.00 0.00 H new ATOM 0 HA ASP A 412 -2.951 34.086 6.962 1.00 0.00 H new ATOM 0 HB2 ASP A 412 -2.016 33.727 4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 412 -0.376 33.895 5.369 1.00 0.00 H new ATOM 31 N VAL A 413 -1.621 32.764 8.698 1.00 0.00 N ATOM 32 CA VAL A 413 -0.982 32.209 9.878 1.00 0.00 C ATOM 33 C VAL A 413 -0.724 30.717 9.658 1.00 0.00 C ATOM 34 O VAL A 413 -1.343 30.097 8.796 1.00 0.00 O ATOM 35 CB VAL A 413 -1.832 32.493 11.117 1.00 0.00 C ATOM 36 CG1 VAL A 413 -2.977 31.486 11.239 1.00 0.00 C ATOM 37 CG2 VAL A 413 -0.971 32.503 12.382 1.00 0.00 C ATOM 0 H VAL A 413 -2.478 32.289 8.414 1.00 0.00 H new ATOM 0 HA VAL A 413 -0.016 32.684 10.049 1.00 0.00 H new ATOM 0 HB VAL A 413 -2.270 33.485 11.003 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -3.566 31.711 12.128 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -3.614 31.550 10.357 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -2.569 30.479 11.319 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -1.600 32.707 13.249 1.00 0.00 H new ATOM 0 HG22 VAL A 413 -0.491 31.532 12.503 1.00 0.00 H new ATOM 0 HG23 VAL A 413 -0.208 33.277 12.297 1.00 0.00 H new ATOM 47 N ASP A 414 0.189 30.183 10.457 1.00 0.00 N ATOM 48 CA ASP A 414 0.535 28.774 10.360 1.00 0.00 C ATOM 49 C ASP A 414 -0.475 27.950 11.161 1.00 0.00 C ATOM 50 O ASP A 414 -0.185 27.516 12.274 1.00 0.00 O ATOM 51 CB ASP A 414 1.926 28.508 10.938 1.00 0.00 C ATOM 52 CG ASP A 414 2.581 27.206 10.474 1.00 0.00 C ATOM 53 OD1 ASP A 414 3.811 27.123 10.337 1.00 0.00 O ATOM 54 OD2 ASP A 414 1.763 26.235 10.245 1.00 0.00 O ATOM 0 H ASP A 414 0.699 30.700 11.173 1.00 0.00 H new ATOM 0 HA ASP A 414 0.523 28.495 9.306 1.00 0.00 H new ATOM 0 HB2 ASP A 414 2.578 29.340 10.673 1.00 0.00 H new ATOM 0 HB3 ASP A 414 1.854 28.494 12.026 1.00 0.00 H new ATOM 60 N GLU A 415 -1.642 27.759 10.562 1.00 0.00 N ATOM 61 CA GLU A 415 -2.696 26.995 11.206 1.00 0.00 C ATOM 62 C GLU A 415 -2.253 25.544 11.409 1.00 0.00 C ATOM 63 O GLU A 415 -2.943 24.766 12.065 1.00 0.00 O ATOM 64 CB GLU A 415 -3.995 27.063 10.398 1.00 0.00 C ATOM 65 CG GLU A 415 -4.583 28.474 10.425 1.00 0.00 C ATOM 66 CD GLU A 415 -4.652 29.067 9.016 1.00 0.00 C ATOM 67 OE1 GLU A 415 -5.084 28.383 8.076 1.00 0.00 O ATOM 68 OE2 GLU A 415 -4.237 30.284 8.915 1.00 0.00 O ATOM 0 H GLU A 415 -1.880 28.120 9.638 1.00 0.00 H new ATOM 0 HA GLU A 415 -2.891 27.435 12.184 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -3.803 26.765 9.367 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -4.718 26.356 10.805 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -5.581 28.447 10.861 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -3.973 29.114 11.063 1.00 0.00 H new ATOM 76 N CYS A 416 -1.103 25.224 10.833 1.00 0.00 N ATOM 77 CA CYS A 416 -0.560 23.881 10.943 1.00 0.00 C ATOM 78 C CYS A 416 0.309 23.817 12.202 1.00 0.00 C ATOM 79 O CYS A 416 0.620 22.731 12.688 1.00 0.00 O ATOM 80 CB CYS A 416 0.222 23.484 9.689 1.00 0.00 C ATOM 81 SG CYS A 416 -0.181 21.827 9.027 1.00 0.00 S ATOM 0 H CYS A 416 -0.533 25.872 10.289 1.00 0.00 H new ATOM 0 HA CYS A 416 -1.374 23.161 11.027 1.00 0.00 H new ATOM 0 HB2 CYS A 416 0.036 24.225 8.912 1.00 0.00 H new ATOM 0 HB3 CYS A 416 1.288 23.520 9.916 1.00 0.00 H new ATOM 86 N SER A 417 0.673 24.992 12.693 1.00 0.00 N ATOM 87 CA SER A 417 1.498 25.081 13.884 1.00 0.00 C ATOM 88 C SER A 417 0.646 25.505 15.080 1.00 0.00 C ATOM 89 O SER A 417 1.037 25.308 16.230 1.00 0.00 O ATOM 90 CB SER A 417 2.655 26.063 13.682 1.00 0.00 C ATOM 91 OG SER A 417 3.891 25.538 14.160 1.00 0.00 O ATOM 0 H SER A 417 0.411 25.890 12.287 1.00 0.00 H new ATOM 0 HA SER A 417 1.923 24.096 14.079 1.00 0.00 H new ATOM 0 HB2 SER A 417 2.748 26.301 12.622 1.00 0.00 H new ATOM 0 HB3 SER A 417 2.433 26.996 14.200 1.00 0.00 H new ATOM 0 HG SER A 417 4.604 26.194 14.011 1.00 0.00 H new ATOM 97 N LEU A 418 -0.507 26.083 14.771 1.00 0.00 N ATOM 98 CA LEU A 418 -1.419 26.538 15.805 1.00 0.00 C ATOM 99 C LEU A 418 -1.858 25.341 16.655 1.00 0.00 C ATOM 100 O LEU A 418 -1.321 25.115 17.737 1.00 0.00 O ATOM 101 CB LEU A 418 -2.583 27.314 15.189 1.00 0.00 C ATOM 102 CG LEU A 418 -2.364 28.818 15.005 1.00 0.00 C ATOM 103 CD1 LEU A 418 -2.940 29.295 13.669 1.00 0.00 C ATOM 104 CD2 LEU A 418 -2.932 29.605 16.188 1.00 0.00 C ATOM 0 H LEU A 418 -0.829 26.246 13.817 1.00 0.00 H new ATOM 0 HA LEU A 418 -0.918 27.238 16.474 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -2.810 26.878 14.216 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -3.463 27.169 15.816 1.00 0.00 H new ATOM 0 HG LEU A 418 -1.291 29.007 14.980 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -2.772 30.367 13.562 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -2.449 28.767 12.852 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -4.010 29.091 13.641 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -2.763 30.670 16.031 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -4.002 29.416 16.271 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -2.436 29.290 17.106 1.00 0.00 H new ATOM 116 N GLY A 419 -2.829 24.610 16.130 1.00 0.00 N ATOM 117 CA GLY A 419 -3.345 23.443 16.825 1.00 0.00 C ATOM 118 C GLY A 419 -4.116 22.531 15.868 1.00 0.00 C ATOM 119 O GLY A 419 -4.990 21.777 16.294 1.00 0.00 O ATOM 0 H GLY A 419 -3.272 24.803 15.232 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -2.521 22.890 17.275 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -3.999 23.759 17.638 1.00 0.00 H new ATOM 123 N ALA A 420 -3.764 22.629 14.596 1.00 0.00 N ATOM 124 CA ALA A 420 -4.411 21.822 13.576 1.00 0.00 C ATOM 125 C ALA A 420 -3.346 21.065 12.778 1.00 0.00 C ATOM 126 O ALA A 420 -2.816 21.583 11.798 1.00 0.00 O ATOM 127 CB ALA A 420 -5.276 22.720 12.687 1.00 0.00 C ATOM 0 H ALA A 420 -3.038 23.255 14.247 1.00 0.00 H new ATOM 0 HA ALA A 420 -5.069 21.082 14.032 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -5.762 22.115 11.921 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -6.034 23.212 13.296 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -4.648 23.473 12.210 1.00 0.00 H new ATOM 133 N ASN A 421 -3.066 19.852 13.231 1.00 0.00 N ATOM 134 CA ASN A 421 -2.074 19.018 12.572 1.00 0.00 C ATOM 135 C ASN A 421 -2.771 17.818 11.927 1.00 0.00 C ATOM 136 O ASN A 421 -3.160 16.877 12.615 1.00 0.00 O ATOM 137 CB ASN A 421 -1.050 18.485 13.577 1.00 0.00 C ATOM 138 CG ASN A 421 0.323 18.315 12.921 1.00 0.00 C ATOM 139 OD1 ASN A 421 0.371 17.344 12.014 1.00 0.00 O flip ATOM 140 ND2 ASN A 421 1.272 19.021 13.218 1.00 0.00 N flip ATOM 0 H ASN A 421 -3.508 19.426 14.046 1.00 0.00 H new ATOM 0 HA ASN A 421 -1.565 19.625 11.824 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -0.972 19.171 14.421 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -1.389 17.528 13.974 1.00 0.00 H new ATOM 0 HD21 ASN A 421 1.165 19.749 13.924 1.00 0.00 H new ATOM 0 HD22 ASN A 421 2.173 18.883 12.760 1.00 0.00 H new ATOM 147 N PRO A 422 -2.911 17.895 10.576 1.00 0.00 N ATOM 148 CA PRO A 422 -3.554 16.827 9.829 1.00 0.00 C ATOM 149 C PRO A 422 -2.629 15.616 9.699 1.00 0.00 C ATOM 150 O PRO A 422 -3.066 14.476 9.859 1.00 0.00 O ATOM 151 CB PRO A 422 -3.913 17.448 8.487 1.00 0.00 C ATOM 152 CG PRO A 422 -3.048 18.692 8.358 1.00 0.00 C ATOM 153 CD PRO A 422 -2.463 18.996 9.728 1.00 0.00 C ATOM 0 HA PRO A 422 -4.444 16.442 10.326 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -3.720 16.752 7.671 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -4.972 17.703 8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -2.253 18.530 7.630 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.641 19.534 8.000 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -1.375 19.050 9.691 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -2.817 19.956 10.105 1.00 0.00 H new ATOM 161 N CYS A 423 -1.368 15.901 9.409 1.00 0.00 N ATOM 162 CA CYS A 423 -0.378 14.848 9.256 1.00 0.00 C ATOM 163 C CYS A 423 -0.597 13.819 10.365 1.00 0.00 C ATOM 164 O CYS A 423 -0.232 12.654 10.218 1.00 0.00 O ATOM 165 CB CYS A 423 1.046 15.406 9.267 1.00 0.00 C ATOM 166 SG CYS A 423 1.272 16.956 8.322 1.00 0.00 S ATOM 0 H CYS A 423 -1.009 16.846 9.276 1.00 0.00 H new ATOM 0 HA CYS A 423 -0.501 14.366 8.286 1.00 0.00 H new ATOM 0 HB2 CYS A 423 1.344 15.581 10.301 1.00 0.00 H new ATOM 0 HB3 CYS A 423 1.720 14.650 8.864 1.00 0.00 H new ATOM 171 N GLU A 424 -1.191 14.286 11.454 1.00 0.00 N ATOM 172 CA GLU A 424 -1.463 13.420 12.590 1.00 0.00 C ATOM 173 C GLU A 424 -0.156 13.030 13.282 1.00 0.00 C ATOM 174 O GLU A 424 0.326 13.750 14.156 1.00 0.00 O ATOM 175 CB GLU A 424 -2.246 12.179 12.157 1.00 0.00 C ATOM 176 CG GLU A 424 -3.739 12.344 12.449 1.00 0.00 C ATOM 177 CD GLU A 424 -4.388 10.995 12.763 1.00 0.00 C ATOM 178 OE1 GLU A 424 -4.994 10.376 11.876 1.00 0.00 O ATOM 179 OE2 GLU A 424 -4.245 10.589 13.980 1.00 0.00 O ATOM 0 H GLU A 424 -1.492 15.253 11.574 1.00 0.00 H new ATOM 0 HA GLU A 424 -2.080 13.968 13.302 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -2.097 12.004 11.091 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -1.864 11.302 12.680 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -3.876 13.022 13.291 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -4.233 12.798 11.590 1.00 0.00 H new ATOM 187 N HIS A 425 0.378 11.890 12.870 1.00 0.00 N ATOM 188 CA HIS A 425 1.618 11.394 13.441 1.00 0.00 C ATOM 189 C HIS A 425 2.486 10.786 12.336 1.00 0.00 C ATOM 190 O HIS A 425 2.963 9.661 12.466 1.00 0.00 O ATOM 191 CB HIS A 425 1.340 10.414 14.581 1.00 0.00 C ATOM 192 CG HIS A 425 1.645 10.964 15.955 1.00 0.00 C ATOM 193 ND1 HIS A 425 1.261 12.129 16.554 1.00 0.00 N flip ATOM 194 CD2 HIS A 425 2.432 10.294 16.873 1.00 0.00 C flip ATOM 195 CE1 HIS A 425 1.786 12.165 17.772 1.00 0.00 C flip ATOM 196 NE2 HIS A 425 2.512 11.030 17.972 1.00 0.00 N flip ATOM 0 H HIS A 425 -0.026 11.295 12.147 1.00 0.00 H new ATOM 0 HA HIS A 425 2.175 12.222 13.880 1.00 0.00 H new ATOM 0 HB2 HIS A 425 0.292 10.118 14.544 1.00 0.00 H new ATOM 0 HB3 HIS A 425 1.931 9.512 14.423 1.00 0.00 H new ATOM 0 HD1 HIS A 425 0.671 12.849 16.137 1.00 0.00 H new ATOM 0 HD2 HIS A 425 2.902 9.334 16.720 1.00 0.00 H new ATOM 0 HE1 HIS A 425 1.659 12.964 18.488 1.00 0.00 H new ATOM 204 N ALA A 426 2.663 11.560 11.275 1.00 0.00 N ATOM 205 CA ALA A 426 3.465 11.111 10.149 1.00 0.00 C ATOM 206 C ALA A 426 3.138 11.967 8.924 1.00 0.00 C ATOM 207 O ALA A 426 2.145 11.723 8.239 1.00 0.00 O ATOM 208 CB ALA A 426 3.214 9.623 9.903 1.00 0.00 C ATOM 0 H ALA A 426 2.266 12.494 11.171 1.00 0.00 H new ATOM 0 HA ALA A 426 4.527 11.231 10.363 1.00 0.00 H new ATOM 0 HB1 ALA A 426 3.816 9.287 9.058 1.00 0.00 H new ATOM 0 HB2 ALA A 426 3.488 9.056 10.792 1.00 0.00 H new ATOM 0 HB3 ALA A 426 2.159 9.464 9.682 1.00 0.00 H new ATOM 214 N GLY A 427 3.990 12.952 8.685 1.00 0.00 N ATOM 215 CA GLY A 427 3.804 13.847 7.555 1.00 0.00 C ATOM 216 C GLY A 427 4.425 15.217 7.831 1.00 0.00 C ATOM 217 O GLY A 427 4.923 15.467 8.927 1.00 0.00 O ATOM 0 H GLY A 427 4.812 13.151 9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 427 4.256 13.412 6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 427 2.740 13.961 7.349 1.00 0.00 H new ATOM 221 N LYS A 428 4.376 16.068 6.816 1.00 0.00 N ATOM 222 CA LYS A 428 4.928 17.407 6.935 1.00 0.00 C ATOM 223 C LYS A 428 3.786 18.411 7.113 1.00 0.00 C ATOM 224 O LYS A 428 2.770 18.328 6.425 1.00 0.00 O ATOM 225 CB LYS A 428 5.841 17.718 5.748 1.00 0.00 C ATOM 226 CG LYS A 428 7.173 18.304 6.222 1.00 0.00 C ATOM 227 CD LYS A 428 6.981 19.704 6.807 1.00 0.00 C ATOM 228 CE LYS A 428 7.665 20.761 5.938 1.00 0.00 C ATOM 229 NZ LYS A 428 9.137 20.632 6.030 1.00 0.00 N ATOM 0 H LYS A 428 3.963 15.856 5.908 1.00 0.00 H new ATOM 0 HA LYS A 428 5.559 17.481 7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 428 6.023 16.808 5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 428 5.347 18.422 5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 428 7.615 17.650 6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 428 7.872 18.348 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 428 5.917 19.926 6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 428 7.389 19.739 7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 428 7.348 20.649 4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 428 7.360 21.757 6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 9.584 21.505 5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 9.410 20.472 7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 9.452 19.828 5.450 1.00 0.00 H new ATOM 242 N CYS A 429 3.992 19.336 8.038 1.00 0.00 N ATOM 243 CA CYS A 429 2.994 20.354 8.314 1.00 0.00 C ATOM 244 C CYS A 429 3.555 21.709 7.881 1.00 0.00 C ATOM 245 O CYS A 429 4.475 22.233 8.509 1.00 0.00 O ATOM 246 CB CYS A 429 2.576 20.354 9.785 1.00 0.00 C ATOM 247 SG CYS A 429 0.777 20.529 10.074 1.00 0.00 S ATOM 0 H CYS A 429 4.836 19.402 8.606 1.00 0.00 H new ATOM 0 HA CYS A 429 2.088 20.139 7.747 1.00 0.00 H new ATOM 0 HB2 CYS A 429 2.914 19.425 10.244 1.00 0.00 H new ATOM 0 HB3 CYS A 429 3.092 21.168 10.294 1.00 0.00 H new ATOM 252 N ILE A 430 2.981 22.238 6.811 1.00 0.00 N ATOM 253 CA ILE A 430 3.413 23.522 6.286 1.00 0.00 C ATOM 254 C ILE A 430 2.279 24.538 6.436 1.00 0.00 C ATOM 255 O ILE A 430 1.148 24.170 6.749 1.00 0.00 O ATOM 256 CB ILE A 430 3.918 23.372 4.849 1.00 0.00 C ATOM 257 CG1 ILE A 430 3.719 21.940 4.345 1.00 0.00 C ATOM 258 CG2 ILE A 430 5.374 23.825 4.730 1.00 0.00 C ATOM 259 CD1 ILE A 430 4.600 20.959 5.121 1.00 0.00 C ATOM 0 H ILE A 430 2.219 21.800 6.293 1.00 0.00 H new ATOM 0 HA ILE A 430 4.259 23.901 6.859 1.00 0.00 H new ATOM 0 HB ILE A 430 3.325 24.024 4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 430 2.672 21.656 4.450 1.00 0.00 H new ATOM 0 HG13 ILE A 430 3.958 21.888 3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 430 5.708 23.708 3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 430 5.454 24.872 5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 430 5.999 23.218 5.385 1.00 0.00 H new ATOM 0 HD11 ILE A 430 4.440 19.949 4.744 1.00 0.00 H new ATOM 0 HD12 ILE A 430 5.648 21.232 4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 430 4.341 20.996 6.179 1.00 0.00 H new ATOM 271 N ASN A 431 2.620 25.798 6.205 1.00 0.00 N ATOM 272 CA ASN A 431 1.645 26.869 6.311 1.00 0.00 C ATOM 273 C ASN A 431 1.316 27.393 4.911 1.00 0.00 C ATOM 274 O ASN A 431 2.208 27.562 4.083 1.00 0.00 O ATOM 275 CB ASN A 431 2.195 28.034 7.135 1.00 0.00 C ATOM 276 CG ASN A 431 1.338 29.288 6.950 1.00 0.00 C ATOM 277 OD1 ASN A 431 0.165 29.228 6.626 1.00 0.00 O ATOM 278 ND2 ASN A 431 1.990 30.427 7.173 1.00 0.00 N ATOM 0 H ASN A 431 3.559 26.100 5.945 1.00 0.00 H new ATOM 0 HA ASN A 431 0.756 26.470 6.800 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.220 27.759 8.189 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.222 28.243 6.835 1.00 0.00 H new ATOM 0 HD21 ASN A 431 1.506 31.319 7.075 1.00 0.00 H new ATOM 0 HD22 ASN A 431 2.974 30.407 7.442 1.00 0.00 H new ATOM 285 N THR A 432 0.032 27.634 4.692 1.00 0.00 N ATOM 286 CA THR A 432 -0.425 28.136 3.407 1.00 0.00 C ATOM 287 C THR A 432 -1.265 29.402 3.597 1.00 0.00 C ATOM 288 O THR A 432 -1.680 29.714 4.711 1.00 0.00 O ATOM 289 CB THR A 432 -1.179 27.007 2.701 1.00 0.00 C ATOM 290 OG1 THR A 432 -1.486 26.089 3.746 1.00 0.00 O ATOM 291 CG2 THR A 432 -0.283 26.209 1.753 1.00 0.00 C ATOM 0 H THR A 432 -0.706 27.491 5.382 1.00 0.00 H new ATOM 0 HA THR A 432 0.413 28.432 2.776 1.00 0.00 H new ATOM 0 HB THR A 432 -2.017 27.423 2.142 1.00 0.00 H new ATOM 0 HG1 THR A 432 -2.386 25.726 3.608 1.00 0.00 H new ATOM 0 HG21 THR A 432 -0.867 25.421 1.278 1.00 0.00 H new ATOM 0 HG22 THR A 432 0.120 26.873 0.988 1.00 0.00 H new ATOM 0 HG23 THR A 432 0.537 25.764 2.316 1.00 0.00 H new ATOM 299 N LEU A 433 -1.488 30.096 2.491 1.00 0.00 N ATOM 300 CA LEU A 433 -2.270 31.320 2.522 1.00 0.00 C ATOM 301 C LEU A 433 -3.746 30.973 2.719 1.00 0.00 C ATOM 302 O LEU A 433 -4.322 30.220 1.933 1.00 0.00 O ATOM 303 CB LEU A 433 -1.997 32.162 1.272 1.00 0.00 C ATOM 304 CG LEU A 433 -1.007 33.315 1.443 1.00 0.00 C ATOM 305 CD1 LEU A 433 -0.470 33.781 0.089 1.00 0.00 C ATOM 306 CD2 LEU A 433 -1.636 34.463 2.236 1.00 0.00 C ATOM 0 H LEU A 433 -1.141 29.834 1.568 1.00 0.00 H new ATOM 0 HA LEU A 433 -1.973 31.940 3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -1.624 31.503 0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -2.944 32.572 0.920 1.00 0.00 H new ATOM 0 HG LEU A 433 -0.156 32.953 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 433 0.232 34.601 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 433 0.039 32.953 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 433 -1.298 34.121 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 433 -0.912 35.270 2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -2.515 34.832 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -1.930 34.105 3.223 1.00 0.00 H new ATOM 318 N GLY A 434 -4.318 31.538 3.773 1.00 0.00 N ATOM 319 CA GLY A 434 -5.716 31.297 4.084 1.00 0.00 C ATOM 320 C GLY A 434 -5.886 30.003 4.881 1.00 0.00 C ATOM 321 O GLY A 434 -6.608 29.971 5.876 1.00 0.00 O ATOM 0 H GLY A 434 -3.838 32.162 4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -6.115 32.135 4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -6.292 31.238 3.161 1.00 0.00 H new ATOM 325 N SER A 435 -5.211 28.963 4.412 1.00 0.00 N ATOM 326 CA SER A 435 -5.277 27.669 5.069 1.00 0.00 C ATOM 327 C SER A 435 -3.870 27.091 5.230 1.00 0.00 C ATOM 328 O SER A 435 -2.900 27.660 4.731 1.00 0.00 O ATOM 329 CB SER A 435 -6.164 26.699 4.285 1.00 0.00 C ATOM 330 OG SER A 435 -7.413 27.287 3.928 1.00 0.00 O ATOM 0 H SER A 435 -4.616 28.991 3.584 1.00 0.00 H new ATOM 0 HA SER A 435 -5.720 27.808 6.055 1.00 0.00 H new ATOM 0 HB2 SER A 435 -5.643 26.380 3.383 1.00 0.00 H new ATOM 0 HB3 SER A 435 -6.342 25.806 4.884 1.00 0.00 H new ATOM 0 HG SER A 435 -7.949 26.637 3.428 1.00 0.00 H new ATOM 336 N PHE A 436 -3.803 25.966 5.926 1.00 0.00 N ATOM 337 CA PHE A 436 -2.530 25.304 6.158 1.00 0.00 C ATOM 338 C PHE A 436 -2.347 24.120 5.206 1.00 0.00 C ATOM 339 O PHE A 436 -3.323 23.552 4.721 1.00 0.00 O ATOM 340 CB PHE A 436 -2.552 24.786 7.598 1.00 0.00 C ATOM 341 CG PHE A 436 -3.673 23.784 7.882 1.00 0.00 C ATOM 342 CD1 PHE A 436 -3.698 22.589 7.232 1.00 0.00 C ATOM 343 CD2 PHE A 436 -4.643 24.088 8.785 1.00 0.00 C ATOM 344 CE1 PHE A 436 -4.738 21.660 7.496 1.00 0.00 C ATOM 345 CE2 PHE A 436 -5.684 23.158 9.049 1.00 0.00 C ATOM 346 CZ PHE A 436 -5.709 21.964 8.399 1.00 0.00 C ATOM 0 H PHE A 436 -4.609 25.496 6.337 1.00 0.00 H new ATOM 0 HA PHE A 436 -1.710 26.002 5.989 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -1.594 24.316 7.819 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -2.655 25.633 8.276 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -2.927 22.347 6.516 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -4.622 25.036 9.301 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -4.759 20.712 6.980 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -6.455 23.399 9.766 1.00 0.00 H new ATOM 0 HZ PHE A 436 -6.500 21.257 8.600 1.00 0.00 H new ATOM 356 N GLU A 437 -1.087 23.783 4.968 1.00 0.00 N ATOM 357 CA GLU A 437 -0.763 22.678 4.082 1.00 0.00 C ATOM 358 C GLU A 437 0.118 21.658 4.809 1.00 0.00 C ATOM 359 O GLU A 437 0.943 22.028 5.641 1.00 0.00 O ATOM 360 CB GLU A 437 -0.084 23.179 2.805 1.00 0.00 C ATOM 361 CG GLU A 437 0.829 22.105 2.213 1.00 0.00 C ATOM 362 CD GLU A 437 1.059 22.344 0.719 1.00 0.00 C ATOM 363 OE1 GLU A 437 0.239 23.005 0.063 1.00 0.00 O ATOM 364 OE2 GLU A 437 2.136 21.818 0.242 1.00 0.00 O ATOM 0 H GLU A 437 -0.279 24.256 5.373 1.00 0.00 H new ATOM 0 HA GLU A 437 -1.691 22.186 3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -0.841 23.462 2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 437 0.497 24.075 3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 437 1.785 22.106 2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.384 21.121 2.363 1.00 0.00 H new ATOM 372 N CYS A 438 -0.088 20.396 4.464 1.00 0.00 N ATOM 373 CA CYS A 438 0.676 19.320 5.072 1.00 0.00 C ATOM 374 C CYS A 438 0.929 18.249 4.008 1.00 0.00 C ATOM 375 O CYS A 438 0.008 17.848 3.296 1.00 0.00 O ATOM 376 CB CYS A 438 -0.030 18.748 6.302 1.00 0.00 C ATOM 377 SG CYS A 438 0.375 17.004 6.678 1.00 0.00 S ATOM 0 H CYS A 438 -0.773 20.094 3.771 1.00 0.00 H new ATOM 0 HA CYS A 438 1.630 19.707 5.431 1.00 0.00 H new ATOM 0 HB2 CYS A 438 0.225 19.360 7.167 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.107 18.833 6.158 1.00 0.00 H new ATOM 382 N GLN A 439 2.178 17.817 3.933 1.00 0.00 N ATOM 383 CA GLN A 439 2.562 16.800 2.969 1.00 0.00 C ATOM 384 C GLN A 439 2.145 15.414 3.464 1.00 0.00 C ATOM 385 O GLN A 439 2.104 15.168 4.668 1.00 0.00 O ATOM 386 CB GLN A 439 4.065 16.852 2.687 1.00 0.00 C ATOM 387 CG GLN A 439 4.506 18.270 2.316 1.00 0.00 C ATOM 388 CD GLN A 439 5.900 18.265 1.688 1.00 0.00 C ATOM 389 OE1 GLN A 439 6.194 17.512 0.773 1.00 0.00 O ATOM 390 NE2 GLN A 439 6.740 19.144 2.225 1.00 0.00 N ATOM 0 H GLN A 439 2.938 18.153 4.524 1.00 0.00 H new ATOM 0 HA GLN A 439 2.042 17.001 2.032 1.00 0.00 H new ATOM 0 HB2 GLN A 439 4.615 16.515 3.565 1.00 0.00 H new ATOM 0 HB3 GLN A 439 4.310 16.167 1.875 1.00 0.00 H new ATOM 0 HG2 GLN A 439 3.791 18.706 1.618 1.00 0.00 H new ATOM 0 HG3 GLN A 439 4.507 18.899 3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 439 6.430 19.745 2.989 1.00 0.00 H new ATOM 0 HE22 GLN A 439 7.695 19.218 1.873 1.00 0.00 H new ATOM 399 N CYS A 440 1.845 14.546 2.509 1.00 0.00 N ATOM 400 CA CYS A 440 1.433 13.191 2.834 1.00 0.00 C ATOM 401 C CYS A 440 2.689 12.347 3.062 1.00 0.00 C ATOM 402 O CYS A 440 3.686 12.511 2.363 1.00 0.00 O ATOM 403 CB CYS A 440 0.536 12.596 1.745 1.00 0.00 C ATOM 404 SG CYS A 440 0.824 13.266 0.065 1.00 0.00 S ATOM 0 H CYS A 440 1.879 14.754 1.511 1.00 0.00 H new ATOM 0 HA CYS A 440 0.833 13.200 3.744 1.00 0.00 H new ATOM 0 HB2 CYS A 440 0.684 11.516 1.721 1.00 0.00 H new ATOM 0 HB3 CYS A 440 -0.505 12.769 2.017 1.00 0.00 H new ATOM 409 N LEU A 441 2.598 11.463 4.045 1.00 0.00 N ATOM 410 CA LEU A 441 3.714 10.595 4.376 1.00 0.00 C ATOM 411 C LEU A 441 3.442 9.193 3.828 1.00 0.00 C ATOM 412 O LEU A 441 2.459 8.556 4.202 1.00 0.00 O ATOM 413 CB LEU A 441 3.989 10.625 5.881 1.00 0.00 C ATOM 414 CG LEU A 441 5.451 10.450 6.299 1.00 0.00 C ATOM 415 CD1 LEU A 441 5.923 9.015 6.058 1.00 0.00 C ATOM 416 CD2 LEU A 441 6.348 11.473 5.599 1.00 0.00 C ATOM 0 H LEU A 441 1.768 11.330 4.623 1.00 0.00 H new ATOM 0 HA LEU A 441 4.628 10.952 3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 441 3.630 11.575 6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 441 3.400 9.839 6.354 1.00 0.00 H new ATOM 0 HG LEU A 441 5.524 10.637 7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 441 6.965 8.919 6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 441 5.309 8.327 6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 441 5.832 8.775 4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 441 7.381 11.327 5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 441 6.275 11.342 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 441 6.027 12.480 5.865 1.00 0.00 H new ATOM 428 N GLN A 442 4.332 8.752 2.951 1.00 0.00 N ATOM 429 CA GLN A 442 4.201 7.437 2.348 1.00 0.00 C ATOM 430 C GLN A 442 2.899 7.346 1.551 1.00 0.00 C ATOM 431 O GLN A 442 2.814 7.852 0.433 1.00 0.00 O ATOM 432 CB GLN A 442 4.271 6.338 3.409 1.00 0.00 C ATOM 433 CG GLN A 442 5.704 6.151 3.911 1.00 0.00 C ATOM 434 CD GLN A 442 6.715 6.390 2.788 1.00 0.00 C ATOM 435 OE1 GLN A 442 7.069 7.664 2.642 1.00 0.00 O flip ATOM 436 NE2 GLN A 442 7.144 5.479 2.099 1.00 0.00 N flip ATOM 0 H GLN A 442 5.147 9.283 2.644 1.00 0.00 H new ATOM 0 HA GLN A 442 5.035 7.289 1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 442 3.619 6.593 4.245 1.00 0.00 H new ATOM 0 HB3 GLN A 442 3.903 5.401 2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 442 5.898 6.841 4.732 1.00 0.00 H new ATOM 0 HG3 GLN A 442 5.826 5.142 4.306 1.00 0.00 H new ATOM 0 HE21 GLN A 442 6.830 4.523 2.265 1.00 0.00 H new ATOM 0 HE22 GLN A 442 7.817 5.674 1.357 1.00 0.00 H new ATOM 445 N GLY A 443 1.915 6.697 2.157 1.00 0.00 N ATOM 446 CA GLY A 443 0.621 6.534 1.517 1.00 0.00 C ATOM 447 C GLY A 443 -0.497 7.115 2.385 1.00 0.00 C ATOM 448 O GLY A 443 -1.281 6.371 2.974 1.00 0.00 O ATOM 0 H GLY A 443 1.988 6.278 3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 443 0.627 7.029 0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 443 0.432 5.476 1.335 1.00 0.00 H new ATOM 452 N TYR A 444 -0.536 8.439 2.438 1.00 0.00 N ATOM 453 CA TYR A 444 -1.544 9.127 3.224 1.00 0.00 C ATOM 454 C TYR A 444 -2.684 9.632 2.335 1.00 0.00 C ATOM 455 O TYR A 444 -2.521 9.753 1.123 1.00 0.00 O ATOM 456 CB TYR A 444 -0.839 10.327 3.859 1.00 0.00 C ATOM 457 CG TYR A 444 -0.498 10.137 5.339 1.00 0.00 C ATOM 458 CD1 TYR A 444 0.194 9.019 5.750 1.00 0.00 C ATOM 459 CD2 TYR A 444 -0.886 11.087 6.262 1.00 0.00 C ATOM 460 CE1 TYR A 444 0.515 8.840 7.143 1.00 0.00 C ATOM 461 CE2 TYR A 444 -0.567 10.910 7.655 1.00 0.00 C ATOM 462 CZ TYR A 444 0.118 9.795 8.026 1.00 0.00 C ATOM 463 OH TYR A 444 0.420 9.627 9.342 1.00 0.00 O ATOM 0 H TYR A 444 0.115 9.053 1.949 1.00 0.00 H new ATOM 0 HA TYR A 444 -1.975 8.455 3.966 1.00 0.00 H new ATOM 0 HB2 TYR A 444 0.080 10.529 3.308 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -1.474 11.206 3.753 1.00 0.00 H new ATOM 0 HD1 TYR A 444 0.496 8.276 5.027 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -1.429 11.963 5.939 1.00 0.00 H new ATOM 0 HE1 TYR A 444 1.058 7.968 7.478 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -0.865 11.645 8.388 1.00 0.00 H new ATOM 0 HH TYR A 444 0.284 10.472 9.819 1.00 0.00 H new ATOM 473 N THR A 445 -3.809 9.911 2.974 1.00 0.00 N ATOM 474 CA THR A 445 -4.975 10.400 2.256 1.00 0.00 C ATOM 475 C THR A 445 -5.120 11.912 2.442 1.00 0.00 C ATOM 476 O THR A 445 -4.200 12.669 2.136 1.00 0.00 O ATOM 477 CB THR A 445 -6.192 9.610 2.736 1.00 0.00 C ATOM 478 OG1 THR A 445 -7.302 10.297 2.165 1.00 0.00 O ATOM 479 CG2 THR A 445 -6.415 9.734 4.245 1.00 0.00 C ATOM 0 H THR A 445 -3.939 9.808 3.980 1.00 0.00 H new ATOM 0 HA THR A 445 -4.872 10.244 1.182 1.00 0.00 H new ATOM 0 HB THR A 445 -6.067 8.560 2.472 1.00 0.00 H new ATOM 0 HG1 THR A 445 -8.079 10.211 2.756 1.00 0.00 H new ATOM 0 HG21 THR A 445 -7.292 9.154 4.532 1.00 0.00 H new ATOM 0 HG22 THR A 445 -5.540 9.356 4.774 1.00 0.00 H new ATOM 0 HG23 THR A 445 -6.572 10.781 4.505 1.00 0.00 H new ATOM 487 N GLY A 446 -6.283 12.305 2.941 1.00 0.00 N ATOM 488 CA GLY A 446 -6.560 13.712 3.171 1.00 0.00 C ATOM 489 C GLY A 446 -7.001 14.404 1.879 1.00 0.00 C ATOM 490 O GLY A 446 -6.713 13.922 0.784 1.00 0.00 O ATOM 0 H GLY A 446 -7.044 11.674 3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -7.339 13.814 3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -5.669 14.202 3.564 1.00 0.00 H new ATOM 494 N PRO A 447 -7.711 15.551 2.053 1.00 0.00 N ATOM 495 CA PRO A 447 -8.194 16.312 0.914 1.00 0.00 C ATOM 496 C PRO A 447 -7.052 17.079 0.243 1.00 0.00 C ATOM 497 O PRO A 447 -7.121 17.389 -0.945 1.00 0.00 O ATOM 498 CB PRO A 447 -9.271 17.223 1.479 1.00 0.00 C ATOM 499 CG PRO A 447 -9.031 17.274 2.979 1.00 0.00 C ATOM 500 CD PRO A 447 -8.070 16.151 3.335 1.00 0.00 C ATOM 0 HA PRO A 447 -8.600 15.678 0.126 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -9.210 18.219 1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -10.266 16.837 1.256 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -8.614 18.239 3.266 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -9.970 17.159 3.520 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -7.191 16.532 3.854 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -8.540 15.422 3.996 1.00 0.00 H new ATOM 508 N ARG A 448 -6.028 17.363 1.034 1.00 0.00 N ATOM 509 CA ARG A 448 -4.872 18.088 0.532 1.00 0.00 C ATOM 510 C ARG A 448 -3.631 17.194 0.562 1.00 0.00 C ATOM 511 O ARG A 448 -2.563 17.594 0.101 1.00 0.00 O ATOM 512 CB ARG A 448 -4.609 19.345 1.361 1.00 0.00 C ATOM 513 CG ARG A 448 -5.829 20.268 1.362 1.00 0.00 C ATOM 514 CD ARG A 448 -5.977 20.982 0.016 1.00 0.00 C ATOM 515 NE ARG A 448 -4.877 21.955 -0.166 1.00 0.00 N ATOM 516 CZ ARG A 448 -4.496 22.453 -1.361 1.00 0.00 C ATOM 517 NH1 ARG A 448 -5.125 22.073 -2.493 1.00 0.00 N ATOM 518 NH2 ARG A 448 -3.499 23.317 -1.406 1.00 0.00 N ATOM 0 H ARG A 448 -5.974 17.104 2.019 1.00 0.00 H new ATOM 0 HA ARG A 448 -5.085 18.383 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -4.360 19.064 2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -3.747 19.877 0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -6.728 19.688 1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -5.732 21.004 2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -5.966 20.253 -0.794 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -6.938 21.495 -0.029 1.00 0.00 H new ATOM 0 HE ARG A 448 -4.375 22.269 0.664 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -5.894 21.405 -2.449 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -4.831 22.454 -3.392 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -3.029 23.599 -0.546 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -3.199 23.703 -2.301 1.00 0.00 H new ATOM 531 N CYS A 449 -3.813 16.001 1.111 1.00 0.00 N ATOM 532 CA CYS A 449 -2.720 15.048 1.208 1.00 0.00 C ATOM 533 C CYS A 449 -2.006 15.270 2.542 1.00 0.00 C ATOM 534 O CYS A 449 -0.807 15.541 2.571 1.00 0.00 O ATOM 535 CB CYS A 449 -1.762 15.166 0.021 1.00 0.00 C ATOM 536 SG CYS A 449 -1.059 13.577 -0.559 1.00 0.00 S ATOM 0 H CYS A 449 -4.700 15.673 1.493 1.00 0.00 H new ATOM 0 HA CYS A 449 -3.114 14.032 1.174 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -2.289 15.638 -0.808 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -0.943 15.830 0.298 1.00 0.00 H new ATOM 541 N GLU A 450 -2.774 15.146 3.614 1.00 0.00 N ATOM 542 CA GLU A 450 -2.231 15.330 4.949 1.00 0.00 C ATOM 543 C GLU A 450 -2.978 14.449 5.953 1.00 0.00 C ATOM 544 O GLU A 450 -2.862 14.642 7.161 1.00 0.00 O ATOM 545 CB GLU A 450 -2.283 16.801 5.366 1.00 0.00 C ATOM 546 CG GLU A 450 -3.564 17.468 4.863 1.00 0.00 C ATOM 547 CD GLU A 450 -3.968 18.633 5.767 1.00 0.00 C ATOM 548 OE1 GLU A 450 -3.238 19.631 5.857 1.00 0.00 O ATOM 549 OE2 GLU A 450 -5.086 18.476 6.392 1.00 0.00 O ATOM 0 H GLU A 450 -3.768 14.920 3.585 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.184 15.027 4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -2.232 16.877 6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -1.415 17.326 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -3.415 17.828 3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -4.370 16.735 4.827 1.00 0.00 H new ATOM 557 N ILE A 451 -3.729 13.499 5.413 1.00 0.00 N ATOM 558 CA ILE A 451 -4.495 12.589 6.246 1.00 0.00 C ATOM 559 C ILE A 451 -3.996 11.160 6.025 1.00 0.00 C ATOM 560 O ILE A 451 -3.607 10.799 4.916 1.00 0.00 O ATOM 561 CB ILE A 451 -5.994 12.763 5.992 1.00 0.00 C ATOM 562 CG1 ILE A 451 -6.509 14.062 6.618 1.00 0.00 C ATOM 563 CG2 ILE A 451 -6.779 11.542 6.479 1.00 0.00 C ATOM 564 CD1 ILE A 451 -5.673 15.259 6.161 1.00 0.00 C ATOM 0 H ILE A 451 -3.823 13.341 4.410 1.00 0.00 H new ATOM 0 HA ILE A 451 -4.345 12.820 7.301 1.00 0.00 H new ATOM 0 HB ILE A 451 -6.151 12.839 4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -7.552 14.215 6.341 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -6.476 13.984 7.705 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -7.841 11.692 6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -6.436 10.654 5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -6.619 11.410 7.549 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.059 16.169 6.620 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -4.635 15.114 6.461 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -5.728 15.348 5.076 1.00 0.00 H new ATOM 576 N ASP A 452 -4.025 10.384 7.098 1.00 0.00 N ATOM 577 CA ASP A 452 -3.580 9.002 7.035 1.00 0.00 C ATOM 578 C ASP A 452 -4.795 8.087 6.869 1.00 0.00 C ATOM 579 O ASP A 452 -5.753 8.175 7.636 1.00 0.00 O ATOM 580 CB ASP A 452 -2.856 8.597 8.320 1.00 0.00 C ATOM 581 CG ASP A 452 -3.393 7.333 8.995 1.00 0.00 C ATOM 582 OD1 ASP A 452 -3.946 7.387 10.102 1.00 0.00 O ATOM 583 OD2 ASP A 452 -3.222 6.244 8.325 1.00 0.00 O ATOM 0 H ASP A 452 -4.350 10.686 8.017 1.00 0.00 H new ATOM 0 HA ASP A 452 -2.897 8.906 6.191 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -1.800 8.449 8.093 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -2.917 9.423 9.029 1.00 0.00 H new ATOM 589 N VAL A 453 -4.717 7.229 5.863 1.00 0.00 N ATOM 590 CA VAL A 453 -5.797 6.298 5.587 1.00 0.00 C ATOM 591 C VAL A 453 -5.457 4.933 6.189 1.00 0.00 C ATOM 592 O VAL A 453 -4.294 4.648 6.470 1.00 0.00 O ATOM 593 CB VAL A 453 -6.063 6.237 4.081 1.00 0.00 C ATOM 594 CG1 VAL A 453 -4.854 6.741 3.290 1.00 0.00 C ATOM 595 CG2 VAL A 453 -6.450 4.821 3.649 1.00 0.00 C ATOM 0 H VAL A 453 -3.922 7.159 5.228 1.00 0.00 H new ATOM 0 HA VAL A 453 -6.721 6.638 6.054 1.00 0.00 H new ATOM 0 HB VAL A 453 -6.904 6.895 3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.069 6.687 2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -4.644 7.774 3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -3.987 6.121 3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -6.634 4.806 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -5.639 4.133 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -7.354 4.514 4.176 1.00 0.00 H new ATOM 605 N ASN A 454 -6.493 4.126 6.370 1.00 0.00 N ATOM 606 CA ASN A 454 -6.316 2.799 6.933 1.00 0.00 C ATOM 607 C ASN A 454 -6.333 1.764 5.807 1.00 0.00 C ATOM 608 O ASN A 454 -7.392 1.263 5.434 1.00 0.00 O ATOM 609 CB ASN A 454 -7.450 2.459 7.903 1.00 0.00 C ATOM 610 CG ASN A 454 -7.231 1.086 8.543 1.00 0.00 C ATOM 611 OD1 ASN A 454 -6.448 0.275 8.080 1.00 0.00 O ATOM 612 ND2 ASN A 454 -7.964 0.873 9.633 1.00 0.00 N ATOM 0 H ASN A 454 -7.457 4.366 6.137 1.00 0.00 H new ATOM 0 HA ASN A 454 -5.365 2.783 7.466 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -7.509 3.221 8.680 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -8.402 2.469 7.373 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -7.888 -0.013 10.133 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -8.601 1.595 9.968 1.00 0.00 H new ATOM 619 N GLU A 455 -5.145 1.477 5.295 1.00 0.00 N ATOM 620 CA GLU A 455 -5.009 0.511 4.217 1.00 0.00 C ATOM 621 C GLU A 455 -5.534 -0.856 4.661 1.00 0.00 C ATOM 622 O GLU A 455 -5.670 -1.767 3.845 1.00 0.00 O ATOM 623 CB GLU A 455 -3.557 0.414 3.748 1.00 0.00 C ATOM 624 CG GLU A 455 -3.067 1.758 3.202 1.00 0.00 C ATOM 625 CD GLU A 455 -2.591 2.670 4.335 1.00 0.00 C ATOM 626 OE1 GLU A 455 -2.976 3.847 4.386 1.00 0.00 O ATOM 627 OE2 GLU A 455 -1.795 2.114 5.185 1.00 0.00 O ATOM 0 H GLU A 455 -4.269 1.896 5.606 1.00 0.00 H new ATOM 0 HA GLU A 455 -5.607 0.852 3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -2.923 0.101 4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -3.471 -0.350 2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -2.252 1.593 2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -3.871 2.246 2.651 1.00 0.00 H new ATOM 635 N CYS A 456 -5.813 -0.957 5.952 1.00 0.00 N ATOM 636 CA CYS A 456 -6.321 -2.198 6.514 1.00 0.00 C ATOM 637 C CYS A 456 -7.833 -2.245 6.288 1.00 0.00 C ATOM 638 O CYS A 456 -8.511 -3.140 6.789 1.00 0.00 O ATOM 639 CB CYS A 456 -5.959 -2.338 7.993 1.00 0.00 C ATOM 640 SG CYS A 456 -7.384 -2.279 9.140 1.00 0.00 S ATOM 0 H CYS A 456 -5.697 -0.200 6.626 1.00 0.00 H new ATOM 0 HA CYS A 456 -5.855 -3.046 6.012 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -5.434 -3.282 8.136 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -5.263 -1.543 8.259 1.00 0.00 H new ATOM 645 N VAL A 457 -8.317 -1.270 5.534 1.00 0.00 N ATOM 646 CA VAL A 457 -9.738 -1.188 5.235 1.00 0.00 C ATOM 647 C VAL A 457 -9.992 -1.747 3.834 1.00 0.00 C ATOM 648 O VAL A 457 -11.090 -2.218 3.539 1.00 0.00 O ATOM 649 CB VAL A 457 -10.226 0.252 5.404 1.00 0.00 C ATOM 650 CG1 VAL A 457 -9.885 0.788 6.796 1.00 0.00 C ATOM 651 CG2 VAL A 457 -9.651 1.156 4.312 1.00 0.00 C ATOM 0 H VAL A 457 -7.751 -0.529 5.120 1.00 0.00 H new ATOM 0 HA VAL A 457 -10.312 -1.794 5.935 1.00 0.00 H new ATOM 0 HB VAL A 457 -11.311 0.252 5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -10.243 1.813 6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -10.364 0.166 7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -8.805 0.767 6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -10.013 2.174 4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -8.562 1.147 4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -9.967 0.792 3.334 1.00 0.00 H new ATOM 661 N SER A 458 -8.960 -1.676 3.007 1.00 0.00 N ATOM 662 CA SER A 458 -9.059 -2.167 1.641 1.00 0.00 C ATOM 663 C SER A 458 -8.083 -3.326 1.432 1.00 0.00 C ATOM 664 O SER A 458 -7.953 -3.840 0.322 1.00 0.00 O ATOM 665 CB SER A 458 -8.783 -1.051 0.632 1.00 0.00 C ATOM 666 OG SER A 458 -9.987 -0.483 0.124 1.00 0.00 O ATOM 0 H SER A 458 -8.051 -1.286 3.255 1.00 0.00 H new ATOM 0 HA SER A 458 -10.076 -2.522 1.477 1.00 0.00 H new ATOM 0 HB2 SER A 458 -8.186 -0.272 1.107 1.00 0.00 H new ATOM 0 HB3 SER A 458 -8.192 -1.447 -0.194 1.00 0.00 H new ATOM 0 HG SER A 458 -9.769 0.227 -0.516 1.00 0.00 H new ATOM 672 N ASN A 459 -7.421 -3.704 2.516 1.00 0.00 N ATOM 673 CA ASN A 459 -6.460 -4.793 2.464 1.00 0.00 C ATOM 674 C ASN A 459 -6.319 -5.409 3.858 1.00 0.00 C ATOM 675 O ASN A 459 -5.220 -5.465 4.407 1.00 0.00 O ATOM 676 CB ASN A 459 -5.082 -4.292 2.028 1.00 0.00 C ATOM 677 CG ASN A 459 -5.206 -3.248 0.915 1.00 0.00 C ATOM 678 OD1 ASN A 459 -4.874 -3.487 -0.234 1.00 0.00 O ATOM 679 ND2 ASN A 459 -5.700 -2.082 1.321 1.00 0.00 N ATOM 0 H ASN A 459 -7.531 -3.276 3.435 1.00 0.00 H new ATOM 0 HA ASN A 459 -6.821 -5.527 1.744 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -4.561 -3.859 2.882 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -4.479 -5.131 1.680 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -5.821 -1.320 0.654 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -5.958 -1.950 2.299 1.00 0.00 H new ATOM 686 N PRO A 460 -7.477 -5.869 4.402 1.00 0.00 N ATOM 687 CA PRO A 460 -7.493 -6.479 5.721 1.00 0.00 C ATOM 688 C PRO A 460 -6.911 -7.894 5.677 1.00 0.00 C ATOM 689 O PRO A 460 -6.837 -8.570 6.702 1.00 0.00 O ATOM 690 CB PRO A 460 -8.951 -6.449 6.151 1.00 0.00 C ATOM 691 CG PRO A 460 -9.757 -6.251 4.877 1.00 0.00 C ATOM 692 CD PRO A 460 -8.797 -5.819 3.781 1.00 0.00 C ATOM 0 HA PRO A 460 -6.869 -5.946 6.439 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -9.230 -7.377 6.650 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -9.133 -5.640 6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -10.264 -7.175 4.598 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -10.529 -5.497 5.027 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -8.855 -6.484 2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -9.029 -4.815 3.425 1.00 0.00 H new ATOM 700 N CYS A 461 -6.516 -8.300 4.481 1.00 0.00 N ATOM 701 CA CYS A 461 -5.944 -9.622 4.289 1.00 0.00 C ATOM 702 C CYS A 461 -7.070 -10.653 4.396 1.00 0.00 C ATOM 703 O CYS A 461 -6.818 -11.830 4.648 1.00 0.00 O ATOM 704 CB CYS A 461 -4.819 -9.900 5.288 1.00 0.00 C ATOM 705 SG CYS A 461 -3.130 -9.799 4.590 1.00 0.00 S ATOM 0 H CYS A 461 -6.580 -7.736 3.633 1.00 0.00 H new ATOM 0 HA CYS A 461 -5.489 -9.685 3.301 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -4.900 -9.190 6.111 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -4.964 -10.895 5.709 1.00 0.00 H new ATOM 710 N GLN A 462 -8.289 -10.173 4.198 1.00 0.00 N ATOM 711 CA GLN A 462 -9.454 -11.038 4.267 1.00 0.00 C ATOM 712 C GLN A 462 -9.917 -11.187 5.719 1.00 0.00 C ATOM 713 O GLN A 462 -9.758 -10.270 6.522 1.00 0.00 O ATOM 714 CB GLN A 462 -9.162 -12.402 3.643 1.00 0.00 C ATOM 715 CG GLN A 462 -10.388 -12.939 2.900 1.00 0.00 C ATOM 716 CD GLN A 462 -10.308 -14.459 2.737 1.00 0.00 C ATOM 717 OE1 GLN A 462 -9.093 -14.907 2.438 1.00 0.00 O flip ATOM 718 NE2 GLN A 462 -11.287 -15.175 2.875 1.00 0.00 N flip ATOM 0 H GLN A 462 -8.495 -9.196 3.990 1.00 0.00 H new ATOM 0 HA GLN A 462 -10.259 -10.578 3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -8.322 -12.318 2.953 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -8.866 -13.106 4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -11.293 -12.675 3.447 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -10.459 -12.468 1.920 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -12.191 -14.763 3.105 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -11.201 -16.185 2.760 1.00 0.00 H new ATOM 727 N ASN A 463 -10.482 -12.349 6.009 1.00 0.00 N ATOM 728 CA ASN A 463 -10.970 -12.630 7.348 1.00 0.00 C ATOM 729 C ASN A 463 -10.103 -13.719 7.985 1.00 0.00 C ATOM 730 O ASN A 463 -10.589 -14.519 8.782 1.00 0.00 O ATOM 731 CB ASN A 463 -12.413 -13.137 7.315 1.00 0.00 C ATOM 732 CG ASN A 463 -12.515 -14.453 6.538 1.00 0.00 C ATOM 733 OD1 ASN A 463 -12.758 -14.296 5.240 1.00 0.00 O flip ATOM 734 ND2 ASN A 463 -12.382 -15.536 7.084 1.00 0.00 N flip ATOM 0 H ASN A 463 -10.613 -13.107 5.339 1.00 0.00 H new ATOM 0 HA ASN A 463 -10.925 -11.705 7.922 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -12.774 -13.283 8.333 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -13.055 -12.387 6.853 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -12.197 -15.583 8.086 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -12.456 -16.395 6.538 1.00 0.00 H new ATOM 741 N ASP A 464 -8.832 -13.713 7.609 1.00 0.00 N ATOM 742 CA ASP A 464 -7.892 -14.689 8.132 1.00 0.00 C ATOM 743 C ASP A 464 -6.559 -13.998 8.431 1.00 0.00 C ATOM 744 O ASP A 464 -5.496 -14.583 8.233 1.00 0.00 O ATOM 745 CB ASP A 464 -7.630 -15.803 7.115 1.00 0.00 C ATOM 746 CG ASP A 464 -7.585 -17.215 7.700 1.00 0.00 C ATOM 747 OD1 ASP A 464 -6.544 -17.669 8.197 1.00 0.00 O ATOM 748 OD2 ASP A 464 -8.696 -17.870 7.630 1.00 0.00 O ATOM 0 H ASP A 464 -8.432 -13.047 6.948 1.00 0.00 H new ATOM 0 HA ASP A 464 -8.322 -15.120 9.036 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -8.407 -15.767 6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -6.682 -15.603 6.615 1.00 0.00 H new ATOM 754 N ALA A 465 -6.662 -12.766 8.905 1.00 0.00 N ATOM 755 CA ALA A 465 -5.479 -11.989 9.234 1.00 0.00 C ATOM 756 C ALA A 465 -5.896 -10.731 9.997 1.00 0.00 C ATOM 757 O ALA A 465 -6.851 -10.056 9.615 1.00 0.00 O ATOM 758 CB ALA A 465 -4.709 -11.666 7.952 1.00 0.00 C ATOM 0 H ALA A 465 -7.547 -12.286 9.069 1.00 0.00 H new ATOM 0 HA ALA A 465 -4.812 -12.559 9.880 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -3.821 -11.083 8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -4.410 -12.593 7.464 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -5.346 -11.091 7.280 1.00 0.00 H new ATOM 764 N THR A 466 -5.158 -10.452 11.062 1.00 0.00 N ATOM 765 CA THR A 466 -5.439 -9.287 11.882 1.00 0.00 C ATOM 766 C THR A 466 -4.916 -8.018 11.205 1.00 0.00 C ATOM 767 O THR A 466 -3.706 -7.806 11.128 1.00 0.00 O ATOM 768 CB THR A 466 -4.837 -9.527 13.268 1.00 0.00 C ATOM 769 OG1 THR A 466 -5.760 -10.413 13.898 1.00 0.00 O ATOM 770 CG2 THR A 466 -4.866 -8.274 14.145 1.00 0.00 C ATOM 0 H THR A 466 -4.366 -11.013 11.375 1.00 0.00 H new ATOM 0 HA THR A 466 -6.512 -9.137 11.999 1.00 0.00 H new ATOM 0 HB THR A 466 -3.808 -9.871 13.162 1.00 0.00 H new ATOM 0 HG1 THR A 466 -5.446 -10.623 14.802 1.00 0.00 H new ATOM 0 HG21 THR A 466 -4.427 -8.500 15.117 1.00 0.00 H new ATOM 0 HG22 THR A 466 -4.294 -7.480 13.664 1.00 0.00 H new ATOM 0 HG23 THR A 466 -5.897 -7.948 14.280 1.00 0.00 H new ATOM 778 N CYS A 467 -5.852 -7.209 10.731 1.00 0.00 N ATOM 779 CA CYS A 467 -5.501 -5.968 10.062 1.00 0.00 C ATOM 780 C CYS A 467 -4.894 -5.020 11.098 1.00 0.00 C ATOM 781 O CYS A 467 -5.343 -4.975 12.242 1.00 0.00 O ATOM 782 CB CYS A 467 -6.705 -5.345 9.354 1.00 0.00 C ATOM 783 SG CYS A 467 -7.461 -3.927 10.230 1.00 0.00 S ATOM 0 H CYS A 467 -6.854 -7.389 10.797 1.00 0.00 H new ATOM 0 HA CYS A 467 -4.769 -6.168 9.280 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.396 -5.018 8.361 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -7.464 -6.114 9.214 1.00 0.00 H new ATOM 788 N LEU A 468 -3.883 -4.285 10.660 1.00 0.00 N ATOM 789 CA LEU A 468 -3.209 -3.339 11.534 1.00 0.00 C ATOM 790 C LEU A 468 -2.739 -2.138 10.714 1.00 0.00 C ATOM 791 O LEU A 468 -1.719 -2.211 10.029 1.00 0.00 O ATOM 792 CB LEU A 468 -2.087 -4.032 12.310 1.00 0.00 C ATOM 793 CG LEU A 468 -2.530 -4.974 13.433 1.00 0.00 C ATOM 794 CD1 LEU A 468 -1.325 -5.656 14.084 1.00 0.00 C ATOM 795 CD2 LEU A 468 -3.396 -4.238 14.456 1.00 0.00 C ATOM 0 H LEU A 468 -3.513 -4.325 9.710 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.899 -2.959 12.288 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -1.481 -4.600 11.604 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -1.442 -3.265 12.739 1.00 0.00 H new ATOM 0 HG LEU A 468 -3.147 -5.760 12.997 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -1.668 -6.319 14.878 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -0.786 -6.235 13.334 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -0.662 -4.900 14.504 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -3.697 -4.930 15.243 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -2.826 -3.418 14.893 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -4.283 -3.841 13.963 1.00 0.00 H new ATOM 807 N ASP A 469 -3.503 -1.060 10.809 1.00 0.00 N ATOM 808 CA ASP A 469 -3.175 0.156 10.084 1.00 0.00 C ATOM 809 C ASP A 469 -1.855 0.720 10.612 1.00 0.00 C ATOM 810 O ASP A 469 -1.737 1.029 11.797 1.00 0.00 O ATOM 811 CB ASP A 469 -4.256 1.221 10.280 1.00 0.00 C ATOM 812 CG ASP A 469 -3.805 2.658 10.007 1.00 0.00 C ATOM 813 OD1 ASP A 469 -4.439 3.624 10.459 1.00 0.00 O ATOM 814 OD2 ASP A 469 -2.741 2.767 9.288 1.00 0.00 O ATOM 0 H ASP A 469 -4.348 -1.003 11.377 1.00 0.00 H new ATOM 0 HA ASP A 469 -3.100 -0.092 9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -5.096 0.989 9.625 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -4.624 1.160 11.304 1.00 0.00 H new ATOM 820 N GLN A 470 -0.893 0.838 9.707 1.00 0.00 N ATOM 821 CA GLN A 470 0.413 1.360 10.067 1.00 0.00 C ATOM 822 C GLN A 470 0.641 2.722 9.406 1.00 0.00 C ATOM 823 O GLN A 470 -0.287 3.315 8.862 1.00 0.00 O ATOM 824 CB GLN A 470 1.520 0.373 9.688 1.00 0.00 C ATOM 825 CG GLN A 470 2.180 -0.215 10.936 1.00 0.00 C ATOM 826 CD GLN A 470 2.342 -1.731 10.807 1.00 0.00 C ATOM 827 OE1 GLN A 470 1.419 -2.433 11.460 1.00 0.00 O flip ATOM 828 NE2 GLN A 470 3.245 -2.232 10.157 1.00 0.00 N flip ATOM 0 H GLN A 470 -0.993 0.581 8.725 1.00 0.00 H new ATOM 0 HA GLN A 470 0.445 1.494 11.148 1.00 0.00 H new ATOM 0 HB2 GLN A 470 1.104 -0.430 9.080 1.00 0.00 H new ATOM 0 HB3 GLN A 470 2.270 0.878 9.079 1.00 0.00 H new ATOM 0 HG2 GLN A 470 3.155 0.247 11.088 1.00 0.00 H new ATOM 0 HG3 GLN A 470 1.577 0.017 11.814 1.00 0.00 H new ATOM 0 HE21 GLN A 470 3.921 -1.636 9.679 1.00 0.00 H new ATOM 0 HE22 GLN A 470 3.324 -3.247 10.091 1.00 0.00 H new ATOM 837 N ILE A 471 1.885 3.176 9.477 1.00 0.00 N ATOM 838 CA ILE A 471 2.247 4.455 8.892 1.00 0.00 C ATOM 839 C ILE A 471 2.273 4.326 7.367 1.00 0.00 C ATOM 840 O ILE A 471 3.120 3.627 6.814 1.00 0.00 O ATOM 841 CB ILE A 471 3.561 4.964 9.488 1.00 0.00 C ATOM 842 CG1 ILE A 471 4.476 3.799 9.873 1.00 0.00 C ATOM 843 CG2 ILE A 471 3.300 5.903 10.668 1.00 0.00 C ATOM 844 CD1 ILE A 471 4.653 2.830 8.702 1.00 0.00 C ATOM 0 H ILE A 471 2.653 2.681 9.930 1.00 0.00 H new ATOM 0 HA ILE A 471 1.499 5.210 9.135 1.00 0.00 H new ATOM 0 HB ILE A 471 4.081 5.543 8.725 1.00 0.00 H new ATOM 0 HG12 ILE A 471 5.448 4.183 10.182 1.00 0.00 H new ATOM 0 HG13 ILE A 471 4.056 3.269 10.728 1.00 0.00 H new ATOM 0 HG21 ILE A 471 4.250 6.251 11.073 1.00 0.00 H new ATOM 0 HG22 ILE A 471 2.715 6.758 10.330 1.00 0.00 H new ATOM 0 HG23 ILE A 471 2.749 5.370 11.442 1.00 0.00 H new ATOM 0 HD11 ILE A 471 5.307 2.012 9.003 1.00 0.00 H new ATOM 0 HD12 ILE A 471 3.682 2.430 8.411 1.00 0.00 H new ATOM 0 HD13 ILE A 471 5.096 3.357 7.857 1.00 0.00 H new ATOM 856 N GLY A 472 1.334 5.011 6.731 1.00 0.00 N ATOM 857 CA GLY A 472 1.238 4.982 5.282 1.00 0.00 C ATOM 858 C GLY A 472 1.304 3.547 4.756 1.00 0.00 C ATOM 859 O GLY A 472 1.653 3.320 3.600 1.00 0.00 O ATOM 0 H GLY A 472 0.633 5.590 7.193 1.00 0.00 H new ATOM 0 HA2 GLY A 472 0.303 5.446 4.967 1.00 0.00 H new ATOM 0 HA3 GLY A 472 2.047 5.569 4.849 1.00 0.00 H new ATOM 863 N GLU A 473 0.963 2.613 5.634 1.00 0.00 N ATOM 864 CA GLU A 473 0.979 1.206 5.273 1.00 0.00 C ATOM 865 C GLU A 473 0.274 0.375 6.347 1.00 0.00 C ATOM 866 O GLU A 473 0.212 0.778 7.509 1.00 0.00 O ATOM 867 CB GLU A 473 2.409 0.712 5.050 1.00 0.00 C ATOM 868 CG GLU A 473 3.146 0.546 6.380 1.00 0.00 C ATOM 869 CD GLU A 473 4.289 -0.463 6.253 1.00 0.00 C ATOM 870 OE1 GLU A 473 4.047 -1.679 6.264 1.00 0.00 O ATOM 871 OE2 GLU A 473 5.465 0.058 6.136 1.00 0.00 O ATOM 0 H GLU A 473 0.674 2.804 6.593 1.00 0.00 H new ATOM 0 HA GLU A 473 0.438 1.086 4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 473 2.390 -0.240 4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 473 2.947 1.418 4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 473 3.541 1.509 6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 473 2.447 0.214 7.148 1.00 0.00 H new ATOM 879 N PHE A 474 -0.240 -0.770 5.922 1.00 0.00 N ATOM 880 CA PHE A 474 -0.938 -1.661 6.834 1.00 0.00 C ATOM 881 C PHE A 474 -0.210 -3.002 6.955 1.00 0.00 C ATOM 882 O PHE A 474 0.617 -3.342 6.111 1.00 0.00 O ATOM 883 CB PHE A 474 -2.329 -1.901 6.247 1.00 0.00 C ATOM 884 CG PHE A 474 -2.329 -2.750 4.973 1.00 0.00 C ATOM 885 CD1 PHE A 474 -1.957 -2.197 3.787 1.00 0.00 C ATOM 886 CD2 PHE A 474 -2.701 -4.058 5.027 1.00 0.00 C ATOM 887 CE1 PHE A 474 -1.957 -2.986 2.607 1.00 0.00 C ATOM 888 CE2 PHE A 474 -2.700 -4.845 3.846 1.00 0.00 C ATOM 889 CZ PHE A 474 -2.328 -4.292 2.660 1.00 0.00 C ATOM 0 H PHE A 474 -0.187 -1.101 4.959 1.00 0.00 H new ATOM 0 HA PHE A 474 -0.987 -1.214 7.827 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -2.949 -2.391 6.998 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -2.792 -0.938 6.030 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -1.662 -1.159 3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -2.997 -4.497 5.968 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -1.662 -2.547 1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -2.995 -5.883 3.889 1.00 0.00 H new ATOM 0 HZ PHE A 474 -2.328 -4.891 1.761 1.00 0.00 H new ATOM 899 N GLN A 475 -0.543 -3.725 8.014 1.00 0.00 N ATOM 900 CA GLN A 475 0.069 -5.021 8.257 1.00 0.00 C ATOM 901 C GLN A 475 -0.975 -6.013 8.775 1.00 0.00 C ATOM 902 O GLN A 475 -1.740 -5.694 9.685 1.00 0.00 O ATOM 903 CB GLN A 475 1.242 -4.899 9.232 1.00 0.00 C ATOM 904 CG GLN A 475 1.048 -5.817 10.440 1.00 0.00 C ATOM 905 CD GLN A 475 2.304 -5.849 11.311 1.00 0.00 C ATOM 906 OE1 GLN A 475 3.101 -4.926 11.331 1.00 0.00 O ATOM 907 NE2 GLN A 475 2.436 -6.961 12.031 1.00 0.00 N ATOM 0 H GLN A 475 -1.228 -3.439 8.713 1.00 0.00 H new ATOM 0 HA GLN A 475 0.462 -5.398 7.313 1.00 0.00 H new ATOM 0 HB2 GLN A 475 2.171 -5.154 8.722 1.00 0.00 H new ATOM 0 HB3 GLN A 475 1.335 -3.866 9.567 1.00 0.00 H new ATOM 0 HG2 GLN A 475 0.200 -5.472 11.031 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.811 -6.825 10.101 1.00 0.00 H new ATOM 0 HE21 GLN A 475 1.732 -7.696 11.968 1.00 0.00 H new ATOM 0 HE22 GLN A 475 3.241 -7.078 12.646 1.00 0.00 H new ATOM 916 N CYS A 476 -0.973 -7.193 8.175 1.00 0.00 N ATOM 917 CA CYS A 476 -1.911 -8.232 8.566 1.00 0.00 C ATOM 918 C CYS A 476 -1.111 -9.444 9.047 1.00 0.00 C ATOM 919 O CYS A 476 -0.166 -9.872 8.386 1.00 0.00 O ATOM 920 CB CYS A 476 -2.862 -8.595 7.422 1.00 0.00 C ATOM 921 SG CYS A 476 -2.141 -8.442 5.748 1.00 0.00 S ATOM 0 H CYS A 476 -0.337 -7.454 7.421 1.00 0.00 H new ATOM 0 HA CYS A 476 -2.543 -7.869 9.376 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -3.203 -9.621 7.563 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -3.742 -7.955 7.483 1.00 0.00 H new ATOM 926 N ILE A 477 -1.519 -9.963 10.197 1.00 0.00 N ATOM 927 CA ILE A 477 -0.853 -11.118 10.775 1.00 0.00 C ATOM 928 C ILE A 477 -1.653 -12.380 10.450 1.00 0.00 C ATOM 929 O ILE A 477 -2.753 -12.571 10.967 1.00 0.00 O ATOM 930 CB ILE A 477 -0.618 -10.906 12.273 1.00 0.00 C ATOM 931 CG1 ILE A 477 0.507 -9.898 12.513 1.00 0.00 C ATOM 932 CG2 ILE A 477 -0.357 -12.237 12.979 1.00 0.00 C ATOM 933 CD1 ILE A 477 1.806 -10.356 11.849 1.00 0.00 C ATOM 0 H ILE A 477 -2.302 -9.605 10.743 1.00 0.00 H new ATOM 0 HA ILE A 477 0.136 -11.247 10.335 1.00 0.00 H new ATOM 0 HB ILE A 477 -1.525 -10.484 12.706 1.00 0.00 H new ATOM 0 HG12 ILE A 477 0.217 -8.924 12.119 1.00 0.00 H new ATOM 0 HG13 ILE A 477 0.666 -9.774 13.584 1.00 0.00 H new ATOM 0 HG21 ILE A 477 -0.193 -12.059 14.042 1.00 0.00 H new ATOM 0 HG22 ILE A 477 -1.218 -12.893 12.849 1.00 0.00 H new ATOM 0 HG23 ILE A 477 0.527 -12.709 12.550 1.00 0.00 H new ATOM 0 HD11 ILE A 477 2.589 -9.621 12.036 1.00 0.00 H new ATOM 0 HD12 ILE A 477 2.106 -11.319 12.263 1.00 0.00 H new ATOM 0 HD13 ILE A 477 1.650 -10.455 10.775 1.00 0.00 H new ATOM 945 N CYS A 478 -1.071 -13.209 9.596 1.00 0.00 N ATOM 946 CA CYS A 478 -1.717 -14.448 9.196 1.00 0.00 C ATOM 947 C CYS A 478 -0.886 -15.616 9.729 1.00 0.00 C ATOM 948 O CYS A 478 0.077 -15.412 10.468 1.00 0.00 O ATOM 949 CB CYS A 478 -1.902 -14.524 7.680 1.00 0.00 C ATOM 950 SG CYS A 478 -0.673 -13.581 6.707 1.00 0.00 S ATOM 0 H CYS A 478 -0.159 -13.047 9.170 1.00 0.00 H new ATOM 0 HA CYS A 478 -2.720 -14.493 9.621 1.00 0.00 H new ATOM 0 HB2 CYS A 478 -1.860 -15.570 7.375 1.00 0.00 H new ATOM 0 HB3 CYS A 478 -2.898 -14.159 7.431 1.00 0.00 H new ATOM 955 N MET A 479 -1.289 -16.815 9.336 1.00 0.00 N ATOM 956 CA MET A 479 -0.593 -18.016 9.764 1.00 0.00 C ATOM 957 C MET A 479 0.607 -18.307 8.861 1.00 0.00 C ATOM 958 O MET A 479 0.605 -17.947 7.685 1.00 0.00 O ATOM 959 CB MET A 479 -1.557 -19.204 9.730 1.00 0.00 C ATOM 960 CG MET A 479 -2.549 -19.138 10.893 1.00 0.00 C ATOM 961 SD MET A 479 -3.672 -20.524 10.819 1.00 0.00 S ATOM 962 CE MET A 479 -2.984 -21.549 12.109 1.00 0.00 C ATOM 0 H MET A 479 -2.089 -16.981 8.725 1.00 0.00 H new ATOM 0 HA MET A 479 -0.230 -17.860 10.780 1.00 0.00 H new ATOM 0 HB2 MET A 479 -2.099 -19.210 8.785 1.00 0.00 H new ATOM 0 HB3 MET A 479 -0.994 -20.136 9.780 1.00 0.00 H new ATOM 0 HG2 MET A 479 -2.011 -19.146 11.841 1.00 0.00 H new ATOM 0 HG3 MET A 479 -3.109 -18.204 10.852 1.00 0.00 H new ATOM 0 HE1 MET A 479 -3.570 -22.464 12.198 1.00 0.00 H new ATOM 0 HE2 MET A 479 -1.953 -21.801 11.862 1.00 0.00 H new ATOM 0 HE3 MET A 479 -3.009 -21.009 13.055 1.00 0.00 H new ATOM 972 N PRO A 480 1.629 -18.975 9.460 1.00 0.00 N ATOM 973 CA PRO A 480 2.833 -19.318 8.723 1.00 0.00 C ATOM 974 C PRO A 480 2.578 -20.491 7.772 1.00 0.00 C ATOM 975 O PRO A 480 3.291 -21.493 7.812 1.00 0.00 O ATOM 976 CB PRO A 480 3.870 -19.632 9.788 1.00 0.00 C ATOM 977 CG PRO A 480 3.089 -19.906 11.063 1.00 0.00 C ATOM 978 CD PRO A 480 1.664 -19.420 10.851 1.00 0.00 C ATOM 0 HA PRO A 480 3.176 -18.509 8.078 1.00 0.00 H new ATOM 0 HB2 PRO A 480 4.471 -20.496 9.505 1.00 0.00 H new ATOM 0 HB3 PRO A 480 4.557 -18.796 9.923 1.00 0.00 H new ATOM 0 HG2 PRO A 480 3.098 -20.971 11.295 1.00 0.00 H new ATOM 0 HG3 PRO A 480 3.546 -19.392 11.908 1.00 0.00 H new ATOM 0 HD2 PRO A 480 0.943 -20.217 11.030 1.00 0.00 H new ATOM 0 HD3 PRO A 480 1.417 -18.607 11.534 1.00 0.00 H new ATOM 986 N GLY A 481 1.560 -20.327 6.942 1.00 0.00 N ATOM 987 CA GLY A 481 1.202 -21.359 5.983 1.00 0.00 C ATOM 988 C GLY A 481 0.718 -20.742 4.669 1.00 0.00 C ATOM 989 O GLY A 481 1.077 -21.211 3.589 1.00 0.00 O ATOM 0 H GLY A 481 0.971 -19.495 6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 481 2.064 -21.999 5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 481 0.420 -21.993 6.401 1.00 0.00 H new ATOM 993 N TYR A 482 -0.089 -19.701 4.803 1.00 0.00 N ATOM 994 CA TYR A 482 -0.627 -19.016 3.639 1.00 0.00 C ATOM 995 C TYR A 482 0.128 -17.713 3.374 1.00 0.00 C ATOM 996 O TYR A 482 0.940 -17.284 4.192 1.00 0.00 O ATOM 997 CB TYR A 482 -2.083 -18.690 3.978 1.00 0.00 C ATOM 998 CG TYR A 482 -3.067 -19.811 3.641 1.00 0.00 C ATOM 999 CD1 TYR A 482 -3.356 -20.103 2.323 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -3.667 -20.530 4.653 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -4.281 -21.158 2.005 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -4.594 -21.586 4.336 1.00 0.00 C ATOM 1003 CZ TYR A 482 -4.855 -21.847 3.027 1.00 0.00 C ATOM 1004 OH TYR A 482 -5.730 -22.844 2.727 1.00 0.00 O ATOM 0 H TYR A 482 -0.384 -19.314 5.700 1.00 0.00 H new ATOM 0 HA TYR A 482 -0.535 -19.639 2.749 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -2.156 -18.465 5.042 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -2.377 -17.789 3.440 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -2.887 -19.539 1.530 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -3.442 -20.301 5.684 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -4.514 -21.397 0.978 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -5.070 -22.157 5.119 1.00 0.00 H new ATOM 0 HH TYR A 482 -6.061 -23.249 3.556 1.00 0.00 H new ATOM 1014 N GLU A 483 -0.168 -17.117 2.227 1.00 0.00 N ATOM 1015 CA GLU A 483 0.472 -15.870 1.844 1.00 0.00 C ATOM 1016 C GLU A 483 -0.417 -15.093 0.872 1.00 0.00 C ATOM 1017 O GLU A 483 -1.535 -15.512 0.577 1.00 0.00 O ATOM 1018 CB GLU A 483 1.853 -16.127 1.239 1.00 0.00 C ATOM 1019 CG GLU A 483 2.832 -15.013 1.616 1.00 0.00 C ATOM 1020 CD GLU A 483 3.603 -14.522 0.388 1.00 0.00 C ATOM 1021 OE1 GLU A 483 3.911 -15.318 -0.510 1.00 0.00 O ATOM 1022 OE2 GLU A 483 3.879 -13.262 0.386 1.00 0.00 O ATOM 0 H GLU A 483 -0.843 -17.475 1.551 1.00 0.00 H new ATOM 0 HA GLU A 483 0.611 -15.265 2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 483 2.235 -17.086 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 483 1.772 -16.193 0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 483 2.288 -14.182 2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 483 3.532 -15.378 2.367 1.00 0.00 H new ATOM 1030 N GLY A 484 0.112 -13.975 0.399 1.00 0.00 N ATOM 1031 CA GLY A 484 -0.619 -13.136 -0.535 1.00 0.00 C ATOM 1032 C GLY A 484 -1.146 -11.878 0.157 1.00 0.00 C ATOM 1033 O GLY A 484 -0.869 -11.648 1.333 1.00 0.00 O ATOM 0 H GLY A 484 1.040 -13.630 0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 484 0.032 -12.855 -1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -1.451 -13.698 -0.960 1.00 0.00 H new ATOM 1037 N VAL A 485 -1.898 -11.095 -0.604 1.00 0.00 N ATOM 1038 CA VAL A 485 -2.467 -9.865 -0.079 1.00 0.00 C ATOM 1039 C VAL A 485 -3.690 -10.199 0.778 1.00 0.00 C ATOM 1040 O VAL A 485 -4.124 -9.385 1.591 1.00 0.00 O ATOM 1041 CB VAL A 485 -2.785 -8.905 -1.227 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -4.295 -8.711 -1.377 1.00 0.00 C ATOM 1043 CG2 VAL A 485 -2.077 -7.563 -1.029 1.00 0.00 C ATOM 0 H VAL A 485 -2.126 -11.289 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 485 -1.749 -9.355 0.564 1.00 0.00 H new ATOM 0 HB VAL A 485 -2.411 -9.349 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -4.494 -8.024 -2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -4.766 -9.672 -1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -4.702 -8.299 -0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 485 -2.319 -6.898 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 485 -2.408 -7.112 -0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 485 -0.999 -7.722 -0.994 1.00 0.00 H new ATOM 1053 N HIS A 486 -4.214 -11.399 0.563 1.00 0.00 N ATOM 1054 CA HIS A 486 -5.378 -11.850 1.306 1.00 0.00 C ATOM 1055 C HIS A 486 -4.952 -12.885 2.348 1.00 0.00 C ATOM 1056 O HIS A 486 -5.792 -13.438 3.057 1.00 0.00 O ATOM 1057 CB HIS A 486 -6.457 -12.373 0.356 1.00 0.00 C ATOM 1058 CG HIS A 486 -6.633 -11.543 -0.892 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -7.594 -10.553 -1.006 1.00 0.00 N ATOM 1060 CD2 HIS A 486 -5.959 -11.563 -2.079 1.00 0.00 C ATOM 1061 CE1 HIS A 486 -7.497 -10.010 -2.211 1.00 0.00 C ATOM 1062 NE2 HIS A 486 -6.482 -10.638 -2.874 1.00 0.00 N ATOM 0 H HIS A 486 -3.853 -12.071 -0.114 1.00 0.00 H new ATOM 0 HA HIS A 486 -5.822 -11.010 1.841 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -6.209 -13.395 0.068 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -7.407 -12.414 0.889 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -5.139 -12.220 -2.329 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -8.112 -9.212 -2.600 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -6.176 -10.430 -3.825 1.00 0.00 H new ATOM 1070 N CYS A 487 -3.649 -13.115 2.408 1.00 0.00 N ATOM 1071 CA CYS A 487 -3.102 -14.075 3.353 1.00 0.00 C ATOM 1072 C CYS A 487 -3.893 -15.378 3.228 1.00 0.00 C ATOM 1073 O CYS A 487 -4.038 -16.117 4.200 1.00 0.00 O ATOM 1074 CB CYS A 487 -3.118 -13.533 4.782 1.00 0.00 C ATOM 1075 SG CYS A 487 -1.622 -12.596 5.265 1.00 0.00 S ATOM 0 H CYS A 487 -2.956 -12.654 1.818 1.00 0.00 H new ATOM 0 HA CYS A 487 -2.055 -14.264 3.117 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -3.988 -12.887 4.901 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -3.245 -14.368 5.471 1.00 0.00 H new ATOM 1080 N GLU A 488 -4.385 -15.620 2.021 1.00 0.00 N ATOM 1081 CA GLU A 488 -5.159 -16.821 1.756 1.00 0.00 C ATOM 1082 C GLU A 488 -4.578 -17.574 0.557 1.00 0.00 C ATOM 1083 O GLU A 488 -5.193 -18.508 0.047 1.00 0.00 O ATOM 1084 CB GLU A 488 -6.634 -16.485 1.529 1.00 0.00 C ATOM 1085 CG GLU A 488 -6.867 -15.972 0.106 1.00 0.00 C ATOM 1086 CD GLU A 488 -7.729 -16.951 -0.696 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -7.453 -18.160 -0.699 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -8.717 -16.416 -1.327 1.00 0.00 O ATOM 0 H GLU A 488 -4.263 -15.005 1.216 1.00 0.00 H new ATOM 0 HA GLU A 488 -5.098 -17.468 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -7.244 -17.371 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -6.954 -15.731 2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -7.355 -14.998 0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -5.909 -15.831 -0.395 1.00 0.00 H new ATOM 1096 N VAL A 489 -3.397 -17.138 0.141 1.00 0.00 N ATOM 1097 CA VAL A 489 -2.726 -17.758 -0.987 1.00 0.00 C ATOM 1098 C VAL A 489 -1.849 -18.906 -0.486 1.00 0.00 C ATOM 1099 O VAL A 489 -0.861 -18.680 0.211 1.00 0.00 O ATOM 1100 CB VAL A 489 -1.942 -16.706 -1.773 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -1.486 -17.257 -3.125 1.00 0.00 C ATOM 1102 CG2 VAL A 489 -2.763 -15.428 -1.950 1.00 0.00 C ATOM 0 H VAL A 489 -2.889 -16.363 0.566 1.00 0.00 H new ATOM 0 HA VAL A 489 -3.455 -18.183 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 489 -1.051 -16.454 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -0.931 -16.488 -3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -0.845 -18.124 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -2.357 -17.552 -3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 489 -2.182 -14.697 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 489 -3.680 -15.657 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 489 -3.013 -15.018 -0.972 1.00 0.00 H new ATOM 1112 N ASN A 490 -2.240 -20.115 -0.859 1.00 0.00 N ATOM 1113 CA ASN A 490 -1.502 -21.300 -0.456 1.00 0.00 C ATOM 1114 C ASN A 490 -0.135 -21.303 -1.144 1.00 0.00 C ATOM 1115 O ASN A 490 0.004 -21.815 -2.254 1.00 0.00 O ATOM 1116 CB ASN A 490 -2.240 -22.576 -0.866 1.00 0.00 C ATOM 1117 CG ASN A 490 -2.824 -22.444 -2.273 1.00 0.00 C ATOM 1118 OD1 ASN A 490 -2.271 -21.792 -3.145 1.00 0.00 O ATOM 1119 ND2 ASN A 490 -3.970 -23.095 -2.447 1.00 0.00 N ATOM 0 H ASN A 490 -3.060 -20.300 -1.437 1.00 0.00 H new ATOM 0 HA ASN A 490 -1.396 -21.278 0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -1.555 -23.423 -0.831 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -3.040 -22.782 -0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 490 -4.440 -23.067 -3.352 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -4.379 -23.622 -1.676 1.00 0.00 H new ATOM 1126 N THR A 491 0.839 -20.725 -0.456 1.00 0.00 N ATOM 1127 CA THR A 491 2.190 -20.655 -0.987 1.00 0.00 C ATOM 1128 C THR A 491 2.193 -19.945 -2.343 1.00 0.00 C ATOM 1129 O THR A 491 1.183 -19.932 -3.045 1.00 0.00 O ATOM 1130 CB THR A 491 2.750 -22.077 -1.046 1.00 0.00 C ATOM 1131 OG1 THR A 491 4.088 -21.943 -0.577 1.00 0.00 O ATOM 1132 CG2 THR A 491 2.905 -22.587 -2.479 1.00 0.00 C ATOM 0 H THR A 491 0.720 -20.301 0.464 1.00 0.00 H new ATOM 0 HA THR A 491 2.838 -20.062 -0.342 1.00 0.00 H new ATOM 0 HB THR A 491 2.094 -22.748 -0.492 1.00 0.00 H new ATOM 0 HG1 THR A 491 4.525 -22.820 -0.581 1.00 0.00 H new ATOM 0 HG21 THR A 491 3.306 -23.600 -2.463 1.00 0.00 H new ATOM 0 HG22 THR A 491 1.933 -22.589 -2.972 1.00 0.00 H new ATOM 0 HG23 THR A 491 3.587 -21.935 -3.025 1.00 0.00 H new ATOM 1140 N ASP A 492 3.340 -19.369 -2.671 1.00 0.00 N ATOM 1141 CA ASP A 492 3.490 -18.658 -3.928 1.00 0.00 C ATOM 1142 C ASP A 492 4.073 -19.606 -4.979 1.00 0.00 C ATOM 1143 O ASP A 492 5.032 -20.327 -4.706 1.00 0.00 O ATOM 1144 CB ASP A 492 4.444 -17.471 -3.782 1.00 0.00 C ATOM 1145 CG ASP A 492 4.055 -16.227 -4.582 1.00 0.00 C ATOM 1146 OD1 ASP A 492 4.041 -15.106 -4.052 1.00 0.00 O ATOM 1147 OD2 ASP A 492 3.755 -16.445 -5.817 1.00 0.00 O ATOM 0 H ASP A 492 4.176 -19.381 -2.086 1.00 0.00 H new ATOM 0 HA ASP A 492 2.507 -18.295 -4.228 1.00 0.00 H new ATOM 0 HB2 ASP A 492 4.506 -17.202 -2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 492 5.441 -17.786 -4.090 1.00 0.00 H new ATOM 1153 N GLU A 493 3.470 -19.576 -6.158 1.00 0.00 N ATOM 1154 CA GLU A 493 3.917 -20.422 -7.250 1.00 0.00 C ATOM 1155 C GLU A 493 4.192 -19.580 -8.497 1.00 0.00 C ATOM 1156 O GLU A 493 4.120 -20.082 -9.618 1.00 0.00 O ATOM 1157 CB GLU A 493 2.894 -21.522 -7.546 1.00 0.00 C ATOM 1158 CG GLU A 493 1.594 -20.928 -8.095 1.00 0.00 C ATOM 1159 CD GLU A 493 0.546 -20.787 -6.989 1.00 0.00 C ATOM 1160 OE1 GLU A 493 0.446 -21.659 -6.114 1.00 0.00 O ATOM 1161 OE2 GLU A 493 -0.179 -19.722 -7.059 1.00 0.00 O ATOM 0 H GLU A 493 2.674 -18.978 -6.381 1.00 0.00 H new ATOM 0 HA GLU A 493 4.847 -20.906 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 493 3.310 -22.226 -8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 493 2.685 -22.084 -6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 493 1.794 -19.952 -8.538 1.00 0.00 H new ATOM 0 HG3 GLU A 493 1.206 -21.565 -8.890 1.00 0.00 H new ATOM 1169 N CYS A 494 4.502 -18.314 -8.260 1.00 0.00 N ATOM 1170 CA CYS A 494 4.788 -17.397 -9.351 1.00 0.00 C ATOM 1171 C CYS A 494 6.302 -17.372 -9.571 1.00 0.00 C ATOM 1172 O CYS A 494 6.826 -16.452 -10.199 1.00 0.00 O ATOM 1173 CB CYS A 494 4.229 -16.000 -9.076 1.00 0.00 C ATOM 1174 SG CYS A 494 5.404 -14.844 -8.280 1.00 0.00 S ATOM 0 H CYS A 494 4.561 -17.901 -7.329 1.00 0.00 H new ATOM 0 HA CYS A 494 4.294 -17.742 -10.260 1.00 0.00 H new ATOM 0 HB2 CYS A 494 3.896 -15.565 -10.019 1.00 0.00 H new ATOM 0 HB3 CYS A 494 3.349 -16.095 -8.441 1.00 0.00 H new ATOM 1179 N ALA A 495 6.962 -18.392 -9.043 1.00 0.00 N ATOM 1180 CA ALA A 495 8.405 -18.499 -9.176 1.00 0.00 C ATOM 1181 C ALA A 495 8.752 -18.916 -10.607 1.00 0.00 C ATOM 1182 O ALA A 495 9.886 -18.739 -11.050 1.00 0.00 O ATOM 1183 CB ALA A 495 8.941 -19.484 -8.135 1.00 0.00 C ATOM 0 H ALA A 495 6.524 -19.152 -8.522 1.00 0.00 H new ATOM 0 HA ALA A 495 8.880 -17.536 -8.990 1.00 0.00 H new ATOM 0 HB1 ALA A 495 10.023 -19.565 -8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 495 8.694 -19.127 -7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 495 8.488 -20.463 -8.293 1.00 0.00 H new ATOM 1189 N SER A 496 7.756 -19.461 -11.289 1.00 0.00 N ATOM 1190 CA SER A 496 7.942 -19.906 -12.659 1.00 0.00 C ATOM 1191 C SER A 496 8.324 -18.718 -13.546 1.00 0.00 C ATOM 1192 O SER A 496 9.414 -18.691 -14.117 1.00 0.00 O ATOM 1193 CB SER A 496 6.679 -20.583 -13.195 1.00 0.00 C ATOM 1194 OG SER A 496 6.925 -21.928 -13.597 1.00 0.00 O ATOM 0 H SER A 496 6.817 -19.605 -10.918 1.00 0.00 H new ATOM 0 HA SER A 496 8.749 -20.639 -12.675 1.00 0.00 H new ATOM 0 HB2 SER A 496 5.906 -20.570 -12.426 1.00 0.00 H new ATOM 0 HB3 SER A 496 6.295 -20.015 -14.043 1.00 0.00 H new ATOM 0 HG SER A 496 6.095 -22.327 -13.932 1.00 0.00 H new ATOM 1200 N SER A 497 7.407 -17.767 -13.633 1.00 0.00 N ATOM 1201 CA SER A 497 7.635 -16.580 -14.440 1.00 0.00 C ATOM 1202 C SER A 497 7.178 -15.333 -13.680 1.00 0.00 C ATOM 1203 O SER A 497 5.990 -15.012 -13.665 1.00 0.00 O ATOM 1204 CB SER A 497 6.907 -16.679 -15.783 1.00 0.00 C ATOM 1205 OG SER A 497 5.687 -17.408 -15.676 1.00 0.00 O ATOM 0 H SER A 497 6.505 -17.794 -13.158 1.00 0.00 H new ATOM 0 HA SER A 497 8.704 -16.504 -14.640 1.00 0.00 H new ATOM 0 HB2 SER A 497 6.699 -15.677 -16.157 1.00 0.00 H new ATOM 0 HB3 SER A 497 7.556 -17.163 -16.513 1.00 0.00 H new ATOM 0 HG SER A 497 5.252 -17.448 -16.553 1.00 0.00 H new ATOM 1211 N PRO A 498 8.169 -14.648 -13.051 1.00 0.00 N ATOM 1212 CA PRO A 498 7.882 -13.445 -12.291 1.00 0.00 C ATOM 1213 C PRO A 498 7.605 -12.260 -13.221 1.00 0.00 C ATOM 1214 O PRO A 498 7.268 -11.171 -12.761 1.00 0.00 O ATOM 1215 CB PRO A 498 9.101 -13.234 -11.410 1.00 0.00 C ATOM 1216 CG PRO A 498 10.216 -14.054 -12.037 1.00 0.00 C ATOM 1217 CD PRO A 498 9.587 -14.999 -13.048 1.00 0.00 C ATOM 0 HA PRO A 498 6.981 -13.537 -11.685 1.00 0.00 H new ATOM 0 HB2 PRO A 498 9.371 -12.179 -11.363 1.00 0.00 H new ATOM 0 HB3 PRO A 498 8.905 -13.558 -10.388 1.00 0.00 H new ATOM 0 HG2 PRO A 498 10.942 -13.402 -12.524 1.00 0.00 H new ATOM 0 HG3 PRO A 498 10.753 -14.615 -11.273 1.00 0.00 H new ATOM 0 HD2 PRO A 498 10.028 -14.872 -14.037 1.00 0.00 H new ATOM 0 HD3 PRO A 498 9.737 -16.040 -12.763 1.00 0.00 H new ATOM 1225 N CYS A 499 7.758 -12.516 -14.511 1.00 0.00 N ATOM 1226 CA CYS A 499 7.530 -11.485 -15.510 1.00 0.00 C ATOM 1227 C CYS A 499 8.063 -10.159 -14.963 1.00 0.00 C ATOM 1228 O CYS A 499 7.312 -9.196 -14.818 1.00 0.00 O ATOM 1229 CB CYS A 499 6.053 -11.390 -15.897 1.00 0.00 C ATOM 1230 SG CYS A 499 5.491 -12.657 -17.093 1.00 0.00 S ATOM 0 H CYS A 499 8.037 -13.422 -14.888 1.00 0.00 H new ATOM 0 HA CYS A 499 8.063 -11.739 -16.426 1.00 0.00 H new ATOM 0 HB2 CYS A 499 5.449 -11.470 -14.993 1.00 0.00 H new ATOM 0 HB3 CYS A 499 5.865 -10.403 -16.319 1.00 0.00 H new ATOM 1235 N LEU A 500 9.356 -10.152 -14.672 1.00 0.00 N ATOM 1236 CA LEU A 500 9.997 -8.960 -14.143 1.00 0.00 C ATOM 1237 C LEU A 500 9.785 -7.798 -15.117 1.00 0.00 C ATOM 1238 O LEU A 500 8.863 -7.826 -15.931 1.00 0.00 O ATOM 1239 CB LEU A 500 11.469 -9.238 -13.830 1.00 0.00 C ATOM 1240 CG LEU A 500 12.386 -9.438 -15.038 1.00 0.00 C ATOM 1241 CD1 LEU A 500 13.857 -9.334 -14.632 1.00 0.00 C ATOM 1242 CD2 LEU A 500 12.079 -10.759 -15.747 1.00 0.00 C ATOM 0 H LEU A 500 9.977 -10.952 -14.793 1.00 0.00 H new ATOM 0 HA LEU A 500 9.542 -8.671 -13.196 1.00 0.00 H new ATOM 0 HB2 LEU A 500 11.857 -8.409 -13.238 1.00 0.00 H new ATOM 0 HB3 LEU A 500 11.525 -10.129 -13.205 1.00 0.00 H new ATOM 0 HG LEU A 500 12.191 -8.637 -15.751 1.00 0.00 H new ATOM 0 HD11 LEU A 500 14.488 -9.480 -15.509 1.00 0.00 H new ATOM 0 HD12 LEU A 500 14.048 -8.349 -14.207 1.00 0.00 H new ATOM 0 HD13 LEU A 500 14.085 -10.099 -13.890 1.00 0.00 H new ATOM 0 HD21 LEU A 500 12.745 -10.876 -16.602 1.00 0.00 H new ATOM 0 HD22 LEU A 500 12.229 -11.587 -15.054 1.00 0.00 H new ATOM 0 HD23 LEU A 500 11.045 -10.756 -16.091 1.00 0.00 H new ATOM 1254 N HIS A 501 10.653 -6.804 -14.999 1.00 0.00 N ATOM 1255 CA HIS A 501 10.573 -5.635 -15.857 1.00 0.00 C ATOM 1256 C HIS A 501 9.310 -4.838 -15.523 1.00 0.00 C ATOM 1257 O HIS A 501 9.239 -4.190 -14.479 1.00 0.00 O ATOM 1258 CB HIS A 501 10.646 -6.037 -17.332 1.00 0.00 C ATOM 1259 CG HIS A 501 11.968 -6.643 -17.738 1.00 0.00 C ATOM 1260 ND1 HIS A 501 12.318 -7.938 -17.980 1.00 0.00 N flip ATOM 1261 CD2 HIS A 501 13.110 -5.886 -17.935 1.00 0.00 C flip ATOM 1262 CE1 HIS A 501 13.604 -7.971 -18.310 1.00 0.00 C flip ATOM 1263 NE2 HIS A 501 14.096 -6.699 -18.281 1.00 0.00 N flip ATOM 0 H HIS A 501 11.415 -6.785 -14.322 1.00 0.00 H new ATOM 0 HA HIS A 501 11.430 -4.987 -15.674 1.00 0.00 H new ATOM 0 HB2 HIS A 501 9.850 -6.751 -17.543 1.00 0.00 H new ATOM 0 HB3 HIS A 501 10.457 -5.158 -17.948 1.00 0.00 H new ATOM 0 HD2 HIS A 501 13.184 -4.814 -17.825 1.00 0.00 H new ATOM 0 HE1 HIS A 501 14.167 -8.858 -18.560 1.00 0.00 H new ATOM 0 HE2 HIS A 501 15.055 -6.423 -18.489 1.00 0.00 H new ATOM 1271 N ASN A 502 8.345 -4.913 -16.427 1.00 0.00 N ATOM 1272 CA ASN A 502 7.088 -4.207 -16.240 1.00 0.00 C ATOM 1273 C ASN A 502 6.000 -5.207 -15.849 1.00 0.00 C ATOM 1274 O ASN A 502 4.981 -4.828 -15.272 1.00 0.00 O ATOM 1275 CB ASN A 502 6.650 -3.513 -17.531 1.00 0.00 C ATOM 1276 CG ASN A 502 6.822 -4.438 -18.737 1.00 0.00 C ATOM 1277 OD1 ASN A 502 7.227 -5.584 -18.621 1.00 0.00 O ATOM 1278 ND2 ASN A 502 6.494 -3.879 -19.900 1.00 0.00 N ATOM 0 H ASN A 502 8.407 -5.452 -17.291 1.00 0.00 H new ATOM 0 HA ASN A 502 7.233 -3.460 -15.460 1.00 0.00 H new ATOM 0 HB2 ASN A 502 5.607 -3.208 -17.448 1.00 0.00 H new ATOM 0 HB3 ASN A 502 7.237 -2.606 -17.677 1.00 0.00 H new ATOM 0 HD21 ASN A 502 6.575 -4.415 -20.764 1.00 0.00 H new ATOM 0 HD22 ASN A 502 6.162 -2.915 -19.927 1.00 0.00 H new ATOM 1285 N GLY A 503 6.252 -6.466 -16.177 1.00 0.00 N ATOM 1286 CA GLY A 503 5.304 -7.524 -15.867 1.00 0.00 C ATOM 1287 C GLY A 503 5.218 -7.758 -14.357 1.00 0.00 C ATOM 1288 O GLY A 503 6.165 -7.471 -13.626 1.00 0.00 O ATOM 0 H GLY A 503 7.098 -6.777 -16.654 1.00 0.00 H new ATOM 0 HA2 GLY A 503 4.320 -7.260 -16.254 1.00 0.00 H new ATOM 0 HA3 GLY A 503 5.606 -8.445 -16.365 1.00 0.00 H new ATOM 1292 N ARG A 504 4.073 -8.275 -13.935 1.00 0.00 N ATOM 1293 CA ARG A 504 3.851 -8.549 -12.526 1.00 0.00 C ATOM 1294 C ARG A 504 3.326 -9.973 -12.339 1.00 0.00 C ATOM 1295 O ARG A 504 2.472 -10.429 -13.099 1.00 0.00 O ATOM 1296 CB ARG A 504 2.851 -7.561 -11.924 1.00 0.00 C ATOM 1297 CG ARG A 504 3.248 -7.180 -10.495 1.00 0.00 C ATOM 1298 CD ARG A 504 2.010 -6.947 -9.625 1.00 0.00 C ATOM 1299 NE ARG A 504 2.338 -6.025 -8.516 1.00 0.00 N ATOM 1300 CZ ARG A 504 3.100 -6.361 -7.453 1.00 0.00 C ATOM 1301 NH1 ARG A 504 3.620 -7.603 -7.347 1.00 0.00 N ATOM 1302 NH2 ARG A 504 3.329 -5.456 -6.518 1.00 0.00 N ATOM 0 H ARG A 504 3.290 -8.511 -14.544 1.00 0.00 H new ATOM 0 HA ARG A 504 4.806 -8.440 -12.012 1.00 0.00 H new ATOM 0 HB2 ARG A 504 2.802 -6.665 -12.543 1.00 0.00 H new ATOM 0 HB3 ARG A 504 1.854 -8.002 -11.923 1.00 0.00 H new ATOM 0 HG2 ARG A 504 3.859 -7.971 -10.060 1.00 0.00 H new ATOM 0 HG3 ARG A 504 3.860 -6.278 -10.512 1.00 0.00 H new ATOM 0 HD2 ARG A 504 1.204 -6.530 -10.229 1.00 0.00 H new ATOM 0 HD3 ARG A 504 1.652 -7.896 -9.226 1.00 0.00 H new ATOM 0 HE ARG A 504 1.965 -5.076 -8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 504 3.438 -8.296 -8.073 1.00 0.00 H new ATOM 0 HH12 ARG A 504 4.195 -7.848 -6.541 1.00 0.00 H new ATOM 0 HH21 ARG A 504 2.932 -4.520 -6.606 1.00 0.00 H new ATOM 0 HH22 ARG A 504 3.902 -5.693 -5.708 1.00 0.00 H new ATOM 1315 N CYS A 505 3.857 -10.637 -11.324 1.00 0.00 N ATOM 1316 CA CYS A 505 3.451 -12.001 -11.027 1.00 0.00 C ATOM 1317 C CYS A 505 2.345 -11.955 -9.971 1.00 0.00 C ATOM 1318 O CYS A 505 2.481 -11.282 -8.951 1.00 0.00 O ATOM 1319 CB CYS A 505 4.636 -12.856 -10.574 1.00 0.00 C ATOM 1320 SG CYS A 505 4.845 -12.981 -8.759 1.00 0.00 S ATOM 0 H CYS A 505 4.565 -10.257 -10.696 1.00 0.00 H new ATOM 0 HA CYS A 505 3.068 -12.474 -11.931 1.00 0.00 H new ATOM 0 HB2 CYS A 505 4.518 -13.860 -10.982 1.00 0.00 H new ATOM 0 HB3 CYS A 505 5.549 -12.443 -11.003 1.00 0.00 H new ATOM 1325 N LEU A 506 1.272 -12.680 -10.254 1.00 0.00 N ATOM 1326 CA LEU A 506 0.142 -12.730 -9.343 1.00 0.00 C ATOM 1327 C LEU A 506 0.095 -14.102 -8.669 1.00 0.00 C ATOM 1328 O LEU A 506 0.189 -15.130 -9.339 1.00 0.00 O ATOM 1329 CB LEU A 506 -1.152 -12.359 -10.072 1.00 0.00 C ATOM 1330 CG LEU A 506 -1.915 -11.155 -9.514 1.00 0.00 C ATOM 1331 CD1 LEU A 506 -1.077 -9.880 -9.621 1.00 0.00 C ATOM 1332 CD2 LEU A 506 -3.275 -11.006 -10.195 1.00 0.00 C ATOM 0 H LEU A 506 1.162 -13.237 -11.101 1.00 0.00 H new ATOM 0 HA LEU A 506 0.259 -11.989 -8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -0.913 -12.160 -11.117 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -1.815 -13.224 -10.056 1.00 0.00 H new ATOM 0 HG LEU A 506 -2.103 -11.329 -8.455 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -1.641 -9.039 -9.218 1.00 0.00 H new ATOM 0 HD12 LEU A 506 -0.154 -10.003 -9.054 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -0.838 -9.689 -10.667 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -3.797 -10.143 -9.781 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -3.132 -10.863 -11.266 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -3.868 -11.905 -10.025 1.00 0.00 H new ATOM 1344 N ASP A 507 -0.047 -14.076 -7.352 1.00 0.00 N ATOM 1345 CA ASP A 507 -0.106 -15.305 -6.580 1.00 0.00 C ATOM 1346 C ASP A 507 -1.570 -15.694 -6.359 1.00 0.00 C ATOM 1347 O ASP A 507 -2.215 -15.196 -5.438 1.00 0.00 O ATOM 1348 CB ASP A 507 0.549 -15.128 -5.209 1.00 0.00 C ATOM 1349 CG ASP A 507 0.902 -16.429 -4.487 1.00 0.00 C ATOM 1350 OD1 ASP A 507 1.627 -16.424 -3.480 1.00 0.00 O ATOM 1351 OD2 ASP A 507 0.395 -17.495 -5.006 1.00 0.00 O ATOM 0 H ASP A 507 -0.123 -13.222 -6.800 1.00 0.00 H new ATOM 0 HA ASP A 507 0.426 -16.077 -7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 507 1.459 -14.540 -5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -0.122 -14.549 -4.575 1.00 0.00 H new ATOM 1357 N LYS A 508 -2.050 -16.579 -7.220 1.00 0.00 N ATOM 1358 CA LYS A 508 -3.424 -17.041 -7.130 1.00 0.00 C ATOM 1359 C LYS A 508 -3.477 -18.312 -6.280 1.00 0.00 C ATOM 1360 O LYS A 508 -2.554 -19.124 -6.315 1.00 0.00 O ATOM 1361 CB LYS A 508 -4.025 -17.209 -8.528 1.00 0.00 C ATOM 1362 CG LYS A 508 -3.993 -15.890 -9.301 1.00 0.00 C ATOM 1363 CD LYS A 508 -4.983 -15.914 -10.467 1.00 0.00 C ATOM 1364 CE LYS A 508 -5.330 -14.495 -10.920 1.00 0.00 C ATOM 1365 NZ LYS A 508 -5.569 -14.461 -12.381 1.00 0.00 N ATOM 0 H LYS A 508 -1.512 -16.988 -7.983 1.00 0.00 H new ATOM 0 HA LYS A 508 -4.044 -16.298 -6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -3.470 -17.970 -9.077 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -5.053 -17.561 -8.446 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -4.235 -15.065 -8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -2.986 -15.709 -9.678 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -4.555 -16.471 -11.300 1.00 0.00 H new ATOM 0 HD3 LYS A 508 -5.891 -16.436 -10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -6.217 -14.145 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -4.517 -13.816 -10.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -5.107 -13.623 -12.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -5.177 -15.320 -12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -6.592 -14.416 -12.565 1.00 0.00 H new ATOM 1378 N ILE A 509 -4.567 -18.444 -5.537 1.00 0.00 N ATOM 1379 CA ILE A 509 -4.752 -19.602 -4.680 1.00 0.00 C ATOM 1380 C ILE A 509 -5.109 -20.816 -5.540 1.00 0.00 C ATOM 1381 O ILE A 509 -6.153 -21.437 -5.341 1.00 0.00 O ATOM 1382 CB ILE A 509 -5.777 -19.299 -3.586 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -5.760 -17.817 -3.211 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -5.561 -20.200 -2.368 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -6.900 -17.064 -3.901 1.00 0.00 C ATOM 0 H ILE A 509 -5.330 -17.768 -5.511 1.00 0.00 H new ATOM 0 HA ILE A 509 -3.826 -19.843 -4.159 1.00 0.00 H new ATOM 0 HB ILE A 509 -6.769 -19.519 -3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -5.851 -17.711 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -4.804 -17.377 -3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -6.303 -19.964 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -5.665 -21.244 -2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -4.561 -20.035 -1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -6.865 -16.012 -3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -6.792 -17.152 -4.982 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -7.855 -17.491 -3.595 1.00 0.00 H new ATOM 1397 N ASN A 510 -4.224 -21.117 -6.479 1.00 0.00 N ATOM 1398 CA ASN A 510 -4.432 -22.247 -7.369 1.00 0.00 C ATOM 1399 C ASN A 510 -3.298 -22.298 -8.394 1.00 0.00 C ATOM 1400 O ASN A 510 -2.846 -23.379 -8.772 1.00 0.00 O ATOM 1401 CB ASN A 510 -5.752 -22.109 -8.131 1.00 0.00 C ATOM 1402 CG ASN A 510 -6.047 -23.367 -8.951 1.00 0.00 C ATOM 1403 OD1 ASN A 510 -5.305 -23.483 -10.049 1.00 0.00 O flip ATOM 1404 ND2 ASN A 510 -6.891 -24.179 -8.609 1.00 0.00 N flip ATOM 0 H ASN A 510 -3.361 -20.598 -6.643 1.00 0.00 H new ATOM 0 HA ASN A 510 -4.456 -23.154 -6.765 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -6.565 -21.930 -7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 510 -5.706 -21.243 -8.791 1.00 0.00 H new ATOM 0 HD21 ASN A 510 -7.426 -24.029 -7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 510 -7.062 -25.008 -9.178 1.00 0.00 H new ATOM 1411 N GLU A 511 -2.870 -21.117 -8.816 1.00 0.00 N ATOM 1412 CA GLU A 511 -1.796 -21.016 -9.791 1.00 0.00 C ATOM 1413 C GLU A 511 -1.229 -19.595 -9.808 1.00 0.00 C ATOM 1414 O GLU A 511 -1.457 -18.820 -8.880 1.00 0.00 O ATOM 1415 CB GLU A 511 -2.277 -21.431 -11.182 1.00 0.00 C ATOM 1416 CG GLU A 511 -3.251 -20.399 -11.756 1.00 0.00 C ATOM 1417 CD GLU A 511 -3.983 -20.957 -12.979 1.00 0.00 C ATOM 1418 OE1 GLU A 511 -3.432 -21.804 -13.698 1.00 0.00 O ATOM 1419 OE2 GLU A 511 -5.167 -20.482 -13.170 1.00 0.00 O ATOM 0 H GLU A 511 -3.247 -20.223 -8.501 1.00 0.00 H new ATOM 0 HA GLU A 511 -1.000 -21.701 -9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 511 -1.422 -21.540 -11.849 1.00 0.00 H new ATOM 0 HB3 GLU A 511 -2.764 -22.405 -11.127 1.00 0.00 H new ATOM 0 HG2 GLU A 511 -3.975 -20.113 -10.993 1.00 0.00 H new ATOM 0 HG3 GLU A 511 -2.708 -19.496 -12.034 1.00 0.00 H new ATOM 1427 N PHE A 512 -0.500 -19.296 -10.873 1.00 0.00 N ATOM 1428 CA PHE A 512 0.101 -17.982 -11.022 1.00 0.00 C ATOM 1429 C PHE A 512 -0.325 -17.332 -12.341 1.00 0.00 C ATOM 1430 O PHE A 512 -0.502 -18.017 -13.347 1.00 0.00 O ATOM 1431 CB PHE A 512 1.618 -18.183 -11.034 1.00 0.00 C ATOM 1432 CG PHE A 512 2.107 -19.168 -12.099 1.00 0.00 C ATOM 1433 CD1 PHE A 512 1.973 -20.507 -11.899 1.00 0.00 C ATOM 1434 CD2 PHE A 512 2.676 -18.704 -13.244 1.00 0.00 C ATOM 1435 CE1 PHE A 512 2.428 -21.420 -12.887 1.00 0.00 C ATOM 1436 CE2 PHE A 512 3.130 -19.617 -14.232 1.00 0.00 C ATOM 1437 CZ PHE A 512 2.996 -20.956 -14.033 1.00 0.00 C ATOM 0 H PHE A 512 -0.312 -19.941 -11.641 1.00 0.00 H new ATOM 0 HA PHE A 512 -0.217 -17.332 -10.207 1.00 0.00 H new ATOM 0 HB2 PHE A 512 2.101 -17.219 -11.196 1.00 0.00 H new ATOM 0 HB3 PHE A 512 1.935 -18.537 -10.053 1.00 0.00 H new ATOM 0 HD1 PHE A 512 1.521 -20.875 -10.990 1.00 0.00 H new ATOM 0 HD2 PHE A 512 2.782 -17.641 -13.402 1.00 0.00 H new ATOM 0 HE1 PHE A 512 2.323 -22.483 -12.729 1.00 0.00 H new ATOM 0 HE2 PHE A 512 3.582 -19.249 -15.141 1.00 0.00 H new ATOM 0 HZ PHE A 512 3.340 -21.651 -14.785 1.00 0.00 H new ATOM 1447 N GLN A 513 -0.476 -16.015 -12.292 1.00 0.00 N ATOM 1448 CA GLN A 513 -0.878 -15.266 -13.470 1.00 0.00 C ATOM 1449 C GLN A 513 0.136 -14.158 -13.765 1.00 0.00 C ATOM 1450 O GLN A 513 0.401 -13.311 -12.913 1.00 0.00 O ATOM 1451 CB GLN A 513 -2.285 -14.688 -13.298 1.00 0.00 C ATOM 1452 CG GLN A 513 -2.912 -14.361 -14.654 1.00 0.00 C ATOM 1453 CD GLN A 513 -3.150 -12.856 -14.800 1.00 0.00 C ATOM 1454 OE1 GLN A 513 -2.493 -12.036 -14.181 1.00 0.00 O ATOM 1455 NE2 GLN A 513 -4.125 -12.543 -15.650 1.00 0.00 N ATOM 0 H GLN A 513 -0.327 -15.450 -11.456 1.00 0.00 H new ATOM 0 HA GLN A 513 -0.901 -15.948 -14.320 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -2.913 -15.402 -12.766 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -2.240 -13.786 -12.687 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -2.258 -14.709 -15.454 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -3.857 -14.894 -14.760 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -4.635 -13.281 -16.135 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -4.362 -11.565 -15.816 1.00 0.00 H new ATOM 1464 N CYS A 514 0.676 -14.201 -14.974 1.00 0.00 N ATOM 1465 CA CYS A 514 1.656 -13.212 -15.392 1.00 0.00 C ATOM 1466 C CYS A 514 0.911 -12.040 -16.033 1.00 0.00 C ATOM 1467 O CYS A 514 0.571 -12.088 -17.214 1.00 0.00 O ATOM 1468 CB CYS A 514 2.698 -13.813 -16.338 1.00 0.00 C ATOM 1469 SG CYS A 514 4.406 -13.830 -15.685 1.00 0.00 S ATOM 0 H CYS A 514 0.454 -14.905 -15.678 1.00 0.00 H new ATOM 0 HA CYS A 514 2.212 -12.857 -14.524 1.00 0.00 H new ATOM 0 HB2 CYS A 514 2.405 -14.835 -16.577 1.00 0.00 H new ATOM 0 HB3 CYS A 514 2.687 -13.252 -17.272 1.00 0.00 H new ATOM 1474 N GLU A 515 0.678 -11.016 -15.226 1.00 0.00 N ATOM 1475 CA GLU A 515 -0.021 -9.833 -15.701 1.00 0.00 C ATOM 1476 C GLU A 515 0.975 -8.824 -16.276 1.00 0.00 C ATOM 1477 O GLU A 515 1.501 -7.982 -15.549 1.00 0.00 O ATOM 1478 CB GLU A 515 -0.855 -9.204 -14.583 1.00 0.00 C ATOM 1479 CG GLU A 515 -0.029 -9.043 -13.306 1.00 0.00 C ATOM 1480 CD GLU A 515 -0.678 -8.036 -12.355 1.00 0.00 C ATOM 1481 OE1 GLU A 515 -0.086 -6.985 -12.068 1.00 0.00 O ATOM 1482 OE2 GLU A 515 -1.840 -8.376 -11.910 1.00 0.00 O ATOM 0 H GLU A 515 0.960 -10.980 -14.247 1.00 0.00 H new ATOM 0 HA GLU A 515 -0.705 -10.132 -16.495 1.00 0.00 H new ATOM 0 HB2 GLU A 515 -1.226 -8.231 -14.905 1.00 0.00 H new ATOM 0 HB3 GLU A 515 -1.726 -9.827 -14.380 1.00 0.00 H new ATOM 0 HG2 GLU A 515 0.069 -10.008 -12.808 1.00 0.00 H new ATOM 0 HG3 GLU A 515 0.978 -8.712 -13.560 1.00 0.00 H new ATOM 1490 N CYS A 516 1.202 -8.940 -17.576 1.00 0.00 N ATOM 1491 CA CYS A 516 2.124 -8.049 -18.257 1.00 0.00 C ATOM 1492 C CYS A 516 1.311 -6.956 -18.954 1.00 0.00 C ATOM 1493 O CYS A 516 0.368 -7.250 -19.687 1.00 0.00 O ATOM 1494 CB CYS A 516 3.022 -8.806 -19.239 1.00 0.00 C ATOM 1495 SG CYS A 516 3.613 -7.814 -20.660 1.00 0.00 S ATOM 0 H CYS A 516 0.763 -9.638 -18.176 1.00 0.00 H new ATOM 0 HA CYS A 516 2.796 -7.593 -17.530 1.00 0.00 H new ATOM 0 HB2 CYS A 516 3.886 -9.190 -18.697 1.00 0.00 H new ATOM 0 HB3 CYS A 516 2.475 -9.669 -19.619 1.00 0.00 H new ATOM 1500 N PRO A 517 1.717 -5.684 -18.693 1.00 0.00 N ATOM 1501 CA PRO A 517 1.035 -4.545 -19.287 1.00 0.00 C ATOM 1502 C PRO A 517 1.402 -4.396 -20.764 1.00 0.00 C ATOM 1503 O PRO A 517 1.931 -5.324 -21.373 1.00 0.00 O ATOM 1504 CB PRO A 517 1.460 -3.353 -18.446 1.00 0.00 C ATOM 1505 CG PRO A 517 2.717 -3.786 -17.709 1.00 0.00 C ATOM 1506 CD PRO A 517 2.829 -5.297 -17.830 1.00 0.00 C ATOM 0 HA PRO A 517 -0.050 -4.653 -19.283 1.00 0.00 H new ATOM 0 HB2 PRO A 517 1.656 -2.483 -19.073 1.00 0.00 H new ATOM 0 HB3 PRO A 517 0.675 -3.070 -17.745 1.00 0.00 H new ATOM 0 HG2 PRO A 517 3.596 -3.302 -18.136 1.00 0.00 H new ATOM 0 HG3 PRO A 517 2.667 -3.489 -16.661 1.00 0.00 H new ATOM 0 HD2 PRO A 517 3.786 -5.590 -18.262 1.00 0.00 H new ATOM 0 HD3 PRO A 517 2.759 -5.778 -16.855 1.00 0.00 H new ATOM 1514 N THR A 518 1.107 -3.221 -21.298 1.00 0.00 N ATOM 1515 CA THR A 518 1.398 -2.938 -22.693 1.00 0.00 C ATOM 1516 C THR A 518 1.045 -1.487 -23.029 1.00 0.00 C ATOM 1517 O THR A 518 0.342 -1.226 -24.004 1.00 0.00 O ATOM 1518 CB THR A 518 0.647 -3.959 -23.551 1.00 0.00 C ATOM 1519 OG1 THR A 518 0.935 -3.568 -24.891 1.00 0.00 O ATOM 1520 CG2 THR A 518 -0.872 -3.813 -23.439 1.00 0.00 C ATOM 0 H THR A 518 0.669 -2.453 -20.790 1.00 0.00 H new ATOM 0 HA THR A 518 2.463 -3.038 -22.901 1.00 0.00 H new ATOM 0 HB THR A 518 0.938 -4.966 -23.253 1.00 0.00 H new ATOM 0 HG1 THR A 518 0.672 -2.633 -25.023 1.00 0.00 H new ATOM 0 HG21 THR A 518 -1.357 -4.561 -24.067 1.00 0.00 H new ATOM 0 HG22 THR A 518 -1.176 -3.958 -22.402 1.00 0.00 H new ATOM 0 HG23 THR A 518 -1.167 -2.817 -23.768 1.00 0.00 H new ATOM 1528 N GLY A 519 1.552 -0.583 -22.204 1.00 0.00 N ATOM 1529 CA GLY A 519 1.299 0.834 -22.399 1.00 0.00 C ATOM 1530 C GLY A 519 2.444 1.678 -21.837 1.00 0.00 C ATOM 1531 O GLY A 519 3.039 2.481 -22.555 1.00 0.00 O ATOM 0 H GLY A 519 2.137 -0.805 -21.399 1.00 0.00 H new ATOM 0 HA2 GLY A 519 1.177 1.042 -23.462 1.00 0.00 H new ATOM 0 HA3 GLY A 519 0.365 1.111 -21.910 1.00 0.00 H new ATOM 1535 N PHE A 520 2.719 1.468 -20.559 1.00 0.00 N ATOM 1536 CA PHE A 520 3.783 2.200 -19.893 1.00 0.00 C ATOM 1537 C PHE A 520 5.044 2.242 -20.756 1.00 0.00 C ATOM 1538 O PHE A 520 5.528 3.317 -21.105 1.00 0.00 O ATOM 1539 CB PHE A 520 4.093 1.454 -18.592 1.00 0.00 C ATOM 1540 CG PHE A 520 2.866 1.200 -17.714 1.00 0.00 C ATOM 1541 CD1 PHE A 520 2.464 2.142 -16.818 1.00 0.00 C ATOM 1542 CD2 PHE A 520 2.178 0.032 -17.827 1.00 0.00 C ATOM 1543 CE1 PHE A 520 1.325 1.907 -16.003 1.00 0.00 C ATOM 1544 CE2 PHE A 520 1.040 -0.204 -17.010 1.00 0.00 C ATOM 1545 CZ PHE A 520 0.639 0.739 -16.117 1.00 0.00 C ATOM 0 H PHE A 520 2.224 0.802 -19.967 1.00 0.00 H new ATOM 0 HA PHE A 520 3.468 3.227 -19.708 1.00 0.00 H new ATOM 0 HB2 PHE A 520 4.558 0.498 -18.835 1.00 0.00 H new ATOM 0 HB3 PHE A 520 4.823 2.028 -18.021 1.00 0.00 H new ATOM 0 HD1 PHE A 520 3.011 3.069 -16.727 1.00 0.00 H new ATOM 0 HD2 PHE A 520 2.497 -0.716 -18.538 1.00 0.00 H new ATOM 0 HE1 PHE A 520 1.004 2.655 -15.293 1.00 0.00 H new ATOM 0 HE2 PHE A 520 0.494 -1.132 -17.098 1.00 0.00 H new ATOM 0 HZ PHE A 520 -0.227 0.560 -15.497 1.00 0.00 H new ATOM 1555 N THR A 521 5.543 1.056 -21.076 1.00 0.00 N ATOM 1556 CA THR A 521 6.740 0.943 -21.893 1.00 0.00 C ATOM 1557 C THR A 521 6.372 0.563 -23.328 1.00 0.00 C ATOM 1558 O THR A 521 6.790 -0.484 -23.823 1.00 0.00 O ATOM 1559 CB THR A 521 7.678 -0.061 -21.219 1.00 0.00 C ATOM 1560 OG1 THR A 521 6.939 -1.279 -21.215 1.00 0.00 O ATOM 1561 CG2 THR A 521 7.898 0.248 -19.737 1.00 0.00 C ATOM 0 H THR A 521 5.140 0.166 -20.784 1.00 0.00 H new ATOM 0 HA THR A 521 7.261 1.898 -21.967 1.00 0.00 H new ATOM 0 HB THR A 521 8.638 -0.064 -21.735 1.00 0.00 H new ATOM 0 HG1 THR A 521 6.647 -1.488 -22.127 1.00 0.00 H new ATOM 0 HG21 THR A 521 8.571 -0.494 -19.307 1.00 0.00 H new ATOM 0 HG22 THR A 521 8.338 1.240 -19.634 1.00 0.00 H new ATOM 0 HG23 THR A 521 6.942 0.218 -19.213 1.00 0.00 H new ATOM 1569 N GLY A 522 5.594 1.431 -23.956 1.00 0.00 N ATOM 1570 CA GLY A 522 5.165 1.199 -25.326 1.00 0.00 C ATOM 1571 C GLY A 522 4.853 -0.280 -25.559 1.00 0.00 C ATOM 1572 O GLY A 522 3.757 -0.743 -25.252 1.00 0.00 O ATOM 0 H GLY A 522 5.249 2.297 -23.542 1.00 0.00 H new ATOM 0 HA2 GLY A 522 4.281 1.799 -25.541 1.00 0.00 H new ATOM 0 HA3 GLY A 522 5.945 1.523 -26.015 1.00 0.00 H new ATOM 1576 N HIS A 523 5.839 -0.980 -26.101 1.00 0.00 N ATOM 1577 CA HIS A 523 5.685 -2.398 -26.379 1.00 0.00 C ATOM 1578 C HIS A 523 6.990 -3.129 -26.063 1.00 0.00 C ATOM 1579 O HIS A 523 7.659 -3.631 -26.965 1.00 0.00 O ATOM 1580 CB HIS A 523 5.214 -2.621 -27.818 1.00 0.00 C ATOM 1581 CG HIS A 523 3.780 -3.079 -27.931 1.00 0.00 C ATOM 1582 ND1 HIS A 523 3.426 -4.410 -28.061 1.00 0.00 N ATOM 1583 CD2 HIS A 523 2.614 -2.369 -27.933 1.00 0.00 C ATOM 1584 CE1 HIS A 523 2.106 -4.486 -28.136 1.00 0.00 C ATOM 1585 NE2 HIS A 523 1.605 -3.221 -28.058 1.00 0.00 N ATOM 0 H HIS A 523 6.747 -0.592 -26.355 1.00 0.00 H new ATOM 0 HA HIS A 523 4.911 -2.816 -25.735 1.00 0.00 H new ATOM 0 HB2 HIS A 523 5.333 -1.692 -28.376 1.00 0.00 H new ATOM 0 HB3 HIS A 523 5.859 -3.362 -28.290 1.00 0.00 H new ATOM 0 HD2 HIS A 523 2.528 -1.296 -27.847 1.00 0.00 H new ATOM 0 HE1 HIS A 523 1.528 -5.392 -28.241 1.00 0.00 H new ATOM 0 HE2 HIS A 523 0.617 -2.971 -28.090 1.00 0.00 H new ATOM 1593 N LEU A 524 7.314 -3.165 -24.779 1.00 0.00 N ATOM 1594 CA LEU A 524 8.529 -3.827 -24.331 1.00 0.00 C ATOM 1595 C LEU A 524 8.207 -4.717 -23.130 1.00 0.00 C ATOM 1596 O LEU A 524 8.205 -4.251 -21.991 1.00 0.00 O ATOM 1597 CB LEU A 524 9.630 -2.799 -24.058 1.00 0.00 C ATOM 1598 CG LEU A 524 11.063 -3.269 -24.309 1.00 0.00 C ATOM 1599 CD1 LEU A 524 11.448 -3.099 -25.780 1.00 0.00 C ATOM 1600 CD2 LEU A 524 12.045 -2.558 -23.375 1.00 0.00 C ATOM 0 H LEU A 524 6.757 -2.747 -24.034 1.00 0.00 H new ATOM 0 HA LEU A 524 8.919 -4.477 -25.114 1.00 0.00 H new ATOM 0 HB2 LEU A 524 9.443 -1.922 -24.678 1.00 0.00 H new ATOM 0 HB3 LEU A 524 9.551 -2.478 -23.019 1.00 0.00 H new ATOM 0 HG LEU A 524 11.116 -4.334 -24.084 1.00 0.00 H new ATOM 0 HD11 LEU A 524 12.472 -3.441 -25.930 1.00 0.00 H new ATOM 0 HD12 LEU A 524 10.774 -3.687 -26.403 1.00 0.00 H new ATOM 0 HD13 LEU A 524 11.373 -2.047 -26.057 1.00 0.00 H new ATOM 0 HD21 LEU A 524 13.057 -2.911 -23.574 1.00 0.00 H new ATOM 0 HD22 LEU A 524 11.995 -1.483 -23.545 1.00 0.00 H new ATOM 0 HD23 LEU A 524 11.783 -2.774 -22.339 1.00 0.00 H new ATOM 1612 N CYS A 525 7.943 -5.981 -23.425 1.00 0.00 N ATOM 1613 CA CYS A 525 7.621 -6.940 -22.382 1.00 0.00 C ATOM 1614 C CYS A 525 8.123 -8.317 -22.824 1.00 0.00 C ATOM 1615 O CYS A 525 8.059 -8.655 -24.005 1.00 0.00 O ATOM 1616 CB CYS A 525 6.123 -6.953 -22.068 1.00 0.00 C ATOM 1617 SG CYS A 525 5.608 -8.203 -20.834 1.00 0.00 S ATOM 0 H CYS A 525 7.945 -6.363 -24.371 1.00 0.00 H new ATOM 0 HA CYS A 525 8.117 -6.653 -21.455 1.00 0.00 H new ATOM 0 HB2 CYS A 525 5.833 -5.966 -21.707 1.00 0.00 H new ATOM 0 HB3 CYS A 525 5.574 -7.128 -22.993 1.00 0.00 H new ATOM 1622 N GLN A 526 8.609 -9.074 -21.852 1.00 0.00 N ATOM 1623 CA GLN A 526 9.121 -10.407 -22.126 1.00 0.00 C ATOM 1624 C GLN A 526 8.124 -11.193 -22.977 1.00 0.00 C ATOM 1625 O GLN A 526 7.113 -11.676 -22.468 1.00 0.00 O ATOM 1626 CB GLN A 526 9.442 -11.148 -20.827 1.00 0.00 C ATOM 1627 CG GLN A 526 10.401 -12.313 -21.083 1.00 0.00 C ATOM 1628 CD GLN A 526 11.852 -11.887 -20.856 1.00 0.00 C ATOM 1629 OE1 GLN A 526 12.356 -10.957 -21.466 1.00 0.00 O ATOM 1630 NE2 GLN A 526 12.495 -12.615 -19.947 1.00 0.00 N ATOM 0 H GLN A 526 8.659 -8.790 -20.873 1.00 0.00 H new ATOM 0 HA GLN A 526 10.050 -10.311 -22.688 1.00 0.00 H new ATOM 0 HB2 GLN A 526 9.886 -10.457 -20.110 1.00 0.00 H new ATOM 0 HB3 GLN A 526 8.521 -11.522 -20.380 1.00 0.00 H new ATOM 0 HG2 GLN A 526 10.154 -13.144 -20.422 1.00 0.00 H new ATOM 0 HG3 GLN A 526 10.279 -12.672 -22.105 1.00 0.00 H new ATOM 0 HE21 GLN A 526 12.014 -13.380 -19.473 1.00 0.00 H new ATOM 0 HE22 GLN A 526 13.469 -12.409 -19.724 1.00 0.00 H new TER 1639 GLN A 526