USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 508 LYS NZ :NH3+ -110:sc= 0.968 (180deg=0) USER MOD Set 1.2: A 513 GLN : amide:sc= 0.378 K(o=1.3,f=-16!) USER MOD Set 2.1: A 463 ASN : amide:sc= -8.08! C(o=-11!,f=-13!) USER MOD Set 2.2: A 479 MET CE :methyl -107:sc= -2.82! (180deg=-2.77!) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 ASN : amide:sc= -3.58 X(o=-3.6,f=-3.7!) USER MOD Single : A 425 HIS :FLIP no HD1:sc= -0.0607 F(o=-1.5,f=-0.061) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -3.3! C(o=-3.3!,f=-14!) USER MOD Single : A 432 THR OG1 : rot -71:sc= -7.37! USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 439 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.094) USER MOD Single : A 442 GLN :FLIP amide:sc= -0.804 F(o=-1.3,f=-0.8) USER MOD Single : A 444 TYR OH : rot 158:sc= -6.87! USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.101! USER MOD Single : A 454 ASN : amide:sc= -7.63! C(o=-7.6!,f=-17!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN :FLIP amide:sc= -2.5 F(o=-3.9!,f=-2.5) USER MOD Single : A 462 GLN :FLIP amide:sc= -5.03! C(o=-7.4!,f=-5!) USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 470 GLN : amide:sc= -4.75! C(o=-4.7!,f=-11!) USER MOD Single : A 475 GLN :FLIP amide:sc= -0.0895 F(o=-0.95,f=-0.089) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 486 HIS :FLIP no HD1:sc= -0.652 F(o=-3.5!,f=-0.65) USER MOD Single : A 490 ASN : amide:sc= -0.515 K(o=-0.51,f=-5.4!) 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= -4.49! C(o=-5.1!,f=-4.5!) USER MOD Single : A 502 ASN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 510 ASN : amide:sc=-0.00709 K(o=-0.0071,f=-1.4!) USER MOD Single : A 516 CYS SG : rot 4:sc= 0.421 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 412 2.958 34.416 6.769 1.00 0.00 N ATOM 19 CA ASP A 412 1.686 34.217 7.443 1.00 0.00 C ATOM 20 C ASP A 412 1.920 33.450 8.746 1.00 0.00 C ATOM 21 O ASP A 412 3.058 33.136 9.090 1.00 0.00 O ATOM 22 CB ASP A 412 0.727 33.397 6.578 1.00 0.00 C ATOM 23 CG ASP A 412 -0.752 33.532 6.945 1.00 0.00 C ATOM 24 OD1 ASP A 412 -1.334 34.623 6.867 1.00 0.00 O ATOM 25 OD2 ASP A 412 -1.318 32.439 7.334 1.00 0.00 O ATOM 0 HA ASP A 412 1.249 35.197 7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 412 0.856 33.694 5.537 1.00 0.00 H new ATOM 0 HB3 ASP A 412 1.008 32.346 6.647 1.00 0.00 H new ATOM 31 N VAL A 413 0.824 33.172 9.436 1.00 0.00 N ATOM 32 CA VAL A 413 0.894 32.447 10.694 1.00 0.00 C ATOM 33 C VAL A 413 0.797 30.945 10.420 1.00 0.00 C ATOM 34 O VAL A 413 0.232 30.531 9.409 1.00 0.00 O ATOM 35 CB VAL A 413 -0.189 32.952 11.650 1.00 0.00 C ATOM 36 CG1 VAL A 413 -1.440 32.075 11.572 1.00 0.00 C ATOM 37 CG2 VAL A 413 0.338 33.029 13.084 1.00 0.00 C ATOM 0 H VAL A 413 -0.118 33.436 9.148 1.00 0.00 H new ATOM 0 HA VAL A 413 1.851 32.626 11.184 1.00 0.00 H new ATOM 0 HB VAL A 413 -0.466 33.960 11.341 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -2.194 32.455 12.261 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -1.834 32.093 10.556 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -1.184 31.051 11.843 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -0.451 33.391 13.743 1.00 0.00 H new ATOM 0 HG22 VAL A 413 0.656 32.038 13.409 1.00 0.00 H new ATOM 0 HG23 VAL A 413 1.186 33.713 13.124 1.00 0.00 H new ATOM 47 N ASP A 414 1.358 30.172 11.336 1.00 0.00 N ATOM 48 CA ASP A 414 1.343 28.725 11.206 1.00 0.00 C ATOM 49 C ASP A 414 0.103 28.166 11.910 1.00 0.00 C ATOM 50 O ASP A 414 0.191 27.678 13.035 1.00 0.00 O ATOM 51 CB ASP A 414 2.577 28.099 11.858 1.00 0.00 C ATOM 52 CG ASP A 414 2.876 26.661 11.428 1.00 0.00 C ATOM 53 OD1 ASP A 414 4.043 26.272 11.269 1.00 0.00 O ATOM 54 OD2 ASP A 414 1.837 25.917 11.251 1.00 0.00 O ATOM 0 H ASP A 414 1.827 30.520 12.172 1.00 0.00 H new ATOM 0 HA ASP A 414 1.335 28.483 10.143 1.00 0.00 H new ATOM 0 HB2 ASP A 414 3.444 28.719 11.629 1.00 0.00 H new ATOM 0 HB3 ASP A 414 2.447 28.119 12.940 1.00 0.00 H new ATOM 60 N GLU A 415 -1.023 28.259 11.217 1.00 0.00 N ATOM 61 CA GLU A 415 -2.279 27.769 11.762 1.00 0.00 C ATOM 62 C GLU A 415 -2.128 26.317 12.220 1.00 0.00 C ATOM 63 O GLU A 415 -2.940 25.821 13.001 1.00 0.00 O ATOM 64 CB GLU A 415 -3.410 27.908 10.741 1.00 0.00 C ATOM 65 CG GLU A 415 -3.753 29.380 10.501 1.00 0.00 C ATOM 66 CD GLU A 415 -3.301 29.828 9.110 1.00 0.00 C ATOM 67 OE1 GLU A 415 -2.793 30.949 8.954 1.00 0.00 O ATOM 68 OE2 GLU A 415 -3.491 28.965 8.170 1.00 0.00 O ATOM 0 H GLU A 415 -1.092 28.666 10.284 1.00 0.00 H new ATOM 0 HA GLU A 415 -2.539 28.377 12.628 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -3.116 27.441 9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -4.294 27.378 11.097 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -4.828 29.528 10.603 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -3.273 29.998 11.260 1.00 0.00 H new ATOM 76 N CYS A 416 -1.084 25.676 11.715 1.00 0.00 N ATOM 77 CA CYS A 416 -0.818 24.290 12.062 1.00 0.00 C ATOM 78 C CYS A 416 -0.042 24.266 13.380 1.00 0.00 C ATOM 79 O CYS A 416 -0.039 23.258 14.083 1.00 0.00 O ATOM 80 CB CYS A 416 -0.068 23.561 10.945 1.00 0.00 C ATOM 81 SG CYS A 416 0.854 22.075 11.483 1.00 0.00 S ATOM 0 H CYS A 416 -0.413 26.091 11.069 1.00 0.00 H new ATOM 0 HA CYS A 416 -1.760 23.756 12.186 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -0.784 23.269 10.177 1.00 0.00 H new ATOM 0 HB3 CYS A 416 0.631 24.257 10.481 1.00 0.00 H new ATOM 86 N SER A 417 0.596 25.389 13.675 1.00 0.00 N ATOM 87 CA SER A 417 1.374 25.510 14.896 1.00 0.00 C ATOM 88 C SER A 417 0.454 25.844 16.071 1.00 0.00 C ATOM 89 O SER A 417 0.738 25.475 17.211 1.00 0.00 O ATOM 90 CB SER A 417 2.462 26.576 14.754 1.00 0.00 C ATOM 91 OG SER A 417 3.414 26.512 15.811 1.00 0.00 O ATOM 0 H SER A 417 0.590 26.224 13.089 1.00 0.00 H new ATOM 0 HA SER A 417 1.863 24.555 15.085 1.00 0.00 H new ATOM 0 HB2 SER A 417 2.972 26.448 13.799 1.00 0.00 H new ATOM 0 HB3 SER A 417 2.002 27.564 14.740 1.00 0.00 H new ATOM 0 HG SER A 417 4.092 27.208 15.683 1.00 0.00 H new ATOM 97 N LEU A 418 -0.629 26.537 15.755 1.00 0.00 N ATOM 98 CA LEU A 418 -1.594 26.924 16.772 1.00 0.00 C ATOM 99 C LEU A 418 -2.252 25.670 17.348 1.00 0.00 C ATOM 100 O LEU A 418 -1.997 25.301 18.494 1.00 0.00 O ATOM 101 CB LEU A 418 -2.591 27.937 16.205 1.00 0.00 C ATOM 102 CG LEU A 418 -2.050 29.349 15.964 1.00 0.00 C ATOM 103 CD1 LEU A 418 -2.279 29.783 14.515 1.00 0.00 C ATOM 104 CD2 LEU A 418 -2.648 30.343 16.962 1.00 0.00 C ATOM 0 H LEU A 418 -0.861 26.841 14.809 1.00 0.00 H new ATOM 0 HA LEU A 418 -1.095 27.430 17.598 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -2.974 27.550 15.261 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -3.437 28.005 16.888 1.00 0.00 H new ATOM 0 HG LEU A 418 -0.973 29.336 16.130 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -1.886 30.789 14.370 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -1.768 29.093 13.843 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -3.347 29.776 14.298 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -2.247 31.338 16.769 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -3.732 30.361 16.852 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -2.391 30.039 17.977 1.00 0.00 H new ATOM 116 N GLY A 419 -3.086 25.048 16.529 1.00 0.00 N ATOM 117 CA GLY A 419 -3.783 23.842 16.943 1.00 0.00 C ATOM 118 C GLY A 419 -4.612 23.265 15.794 1.00 0.00 C ATOM 119 O GLY A 419 -5.682 22.703 16.017 1.00 0.00 O ATOM 0 H GLY A 419 -3.295 25.357 15.580 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -3.061 23.100 17.284 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -4.433 24.066 17.789 1.00 0.00 H new ATOM 123 N ALA A 420 -4.085 23.424 14.589 1.00 0.00 N ATOM 124 CA ALA A 420 -4.763 22.926 13.404 1.00 0.00 C ATOM 125 C ALA A 420 -3.799 22.051 12.601 1.00 0.00 C ATOM 126 O ALA A 420 -3.286 22.473 11.567 1.00 0.00 O ATOM 127 CB ALA A 420 -5.297 24.104 12.587 1.00 0.00 C ATOM 0 H ALA A 420 -3.196 23.891 14.408 1.00 0.00 H new ATOM 0 HA ALA A 420 -5.617 22.308 13.682 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -5.805 23.730 11.698 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -5.999 24.678 13.192 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -4.468 24.745 12.288 1.00 0.00 H new ATOM 133 N ASN A 421 -3.583 20.845 13.108 1.00 0.00 N ATOM 134 CA ASN A 421 -2.690 19.906 12.452 1.00 0.00 C ATOM 135 C ASN A 421 -3.488 18.683 11.994 1.00 0.00 C ATOM 136 O ASN A 421 -3.848 17.834 12.808 1.00 0.00 O ATOM 137 CB ASN A 421 -1.595 19.427 13.407 1.00 0.00 C ATOM 138 CG ASN A 421 -0.292 19.152 12.655 1.00 0.00 C ATOM 139 OD1 ASN A 421 0.755 19.704 12.951 1.00 0.00 O ATOM 140 ND2 ASN A 421 -0.412 18.270 11.666 1.00 0.00 N ATOM 0 H ASN A 421 -4.012 20.497 13.966 1.00 0.00 H new ATOM 0 HA ASN A 421 -2.231 20.414 11.604 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -1.423 20.180 14.176 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -1.923 18.521 13.916 1.00 0.00 H new ATOM 0 HD21 ASN A 421 0.402 18.020 11.104 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -1.318 17.844 11.470 1.00 0.00 H new ATOM 147 N PRO A 422 -3.747 18.633 10.661 1.00 0.00 N ATOM 148 CA PRO A 422 -4.498 17.528 10.086 1.00 0.00 C ATOM 149 C PRO A 422 -3.637 16.266 10.003 1.00 0.00 C ATOM 150 O PRO A 422 -4.105 15.169 10.308 1.00 0.00 O ATOM 151 CB PRO A 422 -4.954 18.028 8.726 1.00 0.00 C ATOM 152 CG PRO A 422 -4.057 19.210 8.394 1.00 0.00 C ATOM 153 CD PRO A 422 -3.336 19.620 9.668 1.00 0.00 C ATOM 0 HA PRO A 422 -5.354 17.238 10.695 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -4.864 17.246 7.972 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -6.002 18.328 8.751 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.339 18.939 7.620 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -4.647 20.040 8.005 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -2.255 19.616 9.530 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -3.615 20.629 9.973 1.00 0.00 H new ATOM 161 N CYS A 423 -2.394 16.462 9.588 1.00 0.00 N ATOM 162 CA CYS A 423 -1.462 15.354 9.459 1.00 0.00 C ATOM 163 C CYS A 423 -1.495 14.546 10.760 1.00 0.00 C ATOM 164 O CYS A 423 -1.061 13.396 10.792 1.00 0.00 O ATOM 165 CB CYS A 423 -0.050 15.836 9.124 1.00 0.00 C ATOM 166 SG CYS A 423 0.179 16.392 7.394 1.00 0.00 S ATOM 0 H CYS A 423 -2.010 17.373 9.336 1.00 0.00 H new ATOM 0 HA CYS A 423 -1.764 14.718 8.627 1.00 0.00 H new ATOM 0 HB2 CYS A 423 0.207 16.658 9.792 1.00 0.00 H new ATOM 0 HB3 CYS A 423 0.653 15.028 9.328 1.00 0.00 H new ATOM 171 N GLU A 424 -2.015 15.183 11.801 1.00 0.00 N ATOM 172 CA GLU A 424 -2.109 14.538 13.099 1.00 0.00 C ATOM 173 C GLU A 424 -0.728 14.455 13.752 1.00 0.00 C ATOM 174 O GLU A 424 -0.499 15.050 14.805 1.00 0.00 O ATOM 175 CB GLU A 424 -2.743 13.151 12.979 1.00 0.00 C ATOM 176 CG GLU A 424 -4.075 13.219 12.229 1.00 0.00 C ATOM 177 CD GLU A 424 -5.101 12.268 12.846 1.00 0.00 C ATOM 178 OE1 GLU A 424 -5.236 12.216 14.079 1.00 0.00 O ATOM 179 OE2 GLU A 424 -5.773 11.566 11.999 1.00 0.00 O ATOM 0 H GLU A 424 -2.375 16.137 11.771 1.00 0.00 H new ATOM 0 HA GLU A 424 -2.755 15.142 13.736 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -2.061 12.480 12.456 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -2.902 12.733 13.973 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -4.459 14.239 12.254 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -3.920 12.962 11.181 1.00 0.00 H new ATOM 187 N HIS A 425 0.155 13.713 13.102 1.00 0.00 N ATOM 188 CA HIS A 425 1.507 13.545 13.607 1.00 0.00 C ATOM 189 C HIS A 425 2.392 12.941 12.514 1.00 0.00 C ATOM 190 O HIS A 425 3.531 13.363 12.329 1.00 0.00 O ATOM 191 CB HIS A 425 1.509 12.718 14.894 1.00 0.00 C ATOM 192 CG HIS A 425 1.093 11.278 14.699 1.00 0.00 C ATOM 193 ND1 HIS A 425 0.050 10.738 14.006 1.00 0.00 N flip ATOM 194 CD2 HIS A 425 1.785 10.217 15.255 1.00 0.00 C flip ATOM 195 CE1 HIS A 425 0.103 9.417 14.131 1.00 0.00 C flip ATOM 196 NE2 HIS A 425 1.179 9.092 14.905 1.00 0.00 N flip ATOM 0 H HIS A 425 -0.039 13.221 12.230 1.00 0.00 H new ATOM 0 HA HIS A 425 1.924 14.518 13.869 1.00 0.00 H new ATOM 0 HB2 HIS A 425 2.509 12.741 15.327 1.00 0.00 H new ATOM 0 HB3 HIS A 425 0.838 13.185 15.615 1.00 0.00 H new ATOM 0 HD2 HIS A 425 2.669 10.293 15.870 1.00 0.00 H new ATOM 0 HE1 HIS A 425 -0.591 8.715 13.692 1.00 0.00 H new ATOM 0 HE2 HIS A 425 1.466 8.149 15.168 1.00 0.00 H new ATOM 204 N ALA A 426 1.832 11.963 11.817 1.00 0.00 N ATOM 205 CA ALA A 426 2.555 11.297 10.747 1.00 0.00 C ATOM 206 C ALA A 426 2.320 12.046 9.435 1.00 0.00 C ATOM 207 O ALA A 426 1.568 11.583 8.577 1.00 0.00 O ATOM 208 CB ALA A 426 2.118 9.833 10.669 1.00 0.00 C ATOM 0 H ALA A 426 0.886 11.616 11.973 1.00 0.00 H new ATOM 0 HA ALA A 426 3.627 11.307 10.945 1.00 0.00 H new ATOM 0 HB1 ALA A 426 2.660 9.334 9.866 1.00 0.00 H new ATOM 0 HB2 ALA A 426 2.334 9.338 11.616 1.00 0.00 H new ATOM 0 HB3 ALA A 426 1.048 9.783 10.469 1.00 0.00 H new ATOM 214 N GLY A 427 2.975 13.193 9.318 1.00 0.00 N ATOM 215 CA GLY A 427 2.846 14.011 8.125 1.00 0.00 C ATOM 216 C GLY A 427 3.657 15.301 8.255 1.00 0.00 C ATOM 217 O GLY A 427 4.184 15.603 9.325 1.00 0.00 O ATOM 0 H GLY A 427 3.597 13.574 10.031 1.00 0.00 H new ATOM 0 HA2 GLY A 427 3.187 13.449 7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 427 1.796 14.252 7.957 1.00 0.00 H new ATOM 221 N LYS A 428 3.733 16.028 7.150 1.00 0.00 N ATOM 222 CA LYS A 428 4.471 17.280 7.127 1.00 0.00 C ATOM 223 C LYS A 428 3.485 18.449 7.157 1.00 0.00 C ATOM 224 O LYS A 428 2.572 18.517 6.335 1.00 0.00 O ATOM 225 CB LYS A 428 5.430 17.314 5.936 1.00 0.00 C ATOM 226 CG LYS A 428 6.532 18.354 6.149 1.00 0.00 C ATOM 227 CD LYS A 428 7.871 17.678 6.453 1.00 0.00 C ATOM 228 CE LYS A 428 8.834 17.815 5.272 1.00 0.00 C ATOM 229 NZ LYS A 428 9.916 18.773 5.592 1.00 0.00 N ATOM 0 H LYS A 428 3.296 15.774 6.264 1.00 0.00 H new ATOM 0 HA LYS A 428 5.098 17.369 8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 428 5.876 16.330 5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 428 4.877 17.546 5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 428 6.628 18.975 5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 428 6.259 19.015 6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 428 8.315 18.125 7.343 1.00 0.00 H new ATOM 0 HD3 LYS A 428 7.708 16.623 6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 428 9.262 16.842 5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 428 8.291 18.153 4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 10.560 18.853 4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 9.504 19.705 5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 10.445 18.435 6.421 1.00 0.00 H new ATOM 242 N CYS A 429 3.703 19.342 8.112 1.00 0.00 N ATOM 243 CA CYS A 429 2.844 20.504 8.259 1.00 0.00 C ATOM 244 C CYS A 429 3.700 21.759 8.070 1.00 0.00 C ATOM 245 O CYS A 429 4.673 21.966 8.791 1.00 0.00 O ATOM 246 CB CYS A 429 2.120 20.506 9.607 1.00 0.00 C ATOM 247 SG CYS A 429 2.593 21.871 10.732 1.00 0.00 S ATOM 0 H CYS A 429 4.462 19.284 8.791 1.00 0.00 H new ATOM 0 HA CYS A 429 2.061 20.480 7.501 1.00 0.00 H new ATOM 0 HB2 CYS A 429 1.046 20.558 9.427 1.00 0.00 H new ATOM 0 HB3 CYS A 429 2.313 19.558 10.108 1.00 0.00 H new ATOM 252 N ILE A 430 3.303 22.564 7.095 1.00 0.00 N ATOM 253 CA ILE A 430 4.021 23.792 6.801 1.00 0.00 C ATOM 254 C ILE A 430 3.056 24.977 6.895 1.00 0.00 C ATOM 255 O ILE A 430 1.844 24.788 6.991 1.00 0.00 O ATOM 256 CB ILE A 430 4.735 23.687 5.452 1.00 0.00 C ATOM 257 CG1 ILE A 430 4.287 22.436 4.692 1.00 0.00 C ATOM 258 CG2 ILE A 430 6.254 23.736 5.631 1.00 0.00 C ATOM 259 CD1 ILE A 430 4.812 21.168 5.367 1.00 0.00 C ATOM 0 H ILE A 430 2.494 22.390 6.499 1.00 0.00 H new ATOM 0 HA ILE A 430 4.806 23.959 7.538 1.00 0.00 H new ATOM 0 HB ILE A 430 4.454 24.549 4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 430 3.198 22.404 4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 430 4.648 22.482 3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 430 6.738 23.659 4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 430 6.535 24.678 6.103 1.00 0.00 H new ATOM 0 HG23 ILE A 430 6.573 22.906 6.261 1.00 0.00 H new ATOM 0 HD11 ILE A 430 4.480 20.294 4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 430 5.902 21.192 5.389 1.00 0.00 H new ATOM 0 HD13 ILE A 430 4.430 21.113 6.386 1.00 0.00 H new ATOM 271 N ASN A 431 3.630 26.170 6.863 1.00 0.00 N ATOM 272 CA ASN A 431 2.836 27.384 6.944 1.00 0.00 C ATOM 273 C ASN A 431 2.702 27.995 5.547 1.00 0.00 C ATOM 274 O ASN A 431 3.687 28.107 4.818 1.00 0.00 O ATOM 275 CB ASN A 431 3.503 28.421 7.850 1.00 0.00 C ATOM 276 CG ASN A 431 2.906 29.812 7.628 1.00 0.00 C ATOM 277 OD1 ASN A 431 1.850 29.975 7.035 1.00 0.00 O ATOM 278 ND2 ASN A 431 3.636 30.801 8.131 1.00 0.00 N ATOM 0 H ASN A 431 4.635 26.322 6.782 1.00 0.00 H new ATOM 0 HA ASN A 431 1.861 27.121 7.354 1.00 0.00 H new ATOM 0 HB2 ASN A 431 3.378 28.131 8.893 1.00 0.00 H new ATOM 0 HB3 ASN A 431 4.575 28.446 7.652 1.00 0.00 H new ATOM 0 HD21 ASN A 431 3.323 31.767 8.033 1.00 0.00 H new ATOM 0 HD22 ASN A 431 4.510 30.595 8.616 1.00 0.00 H new ATOM 285 N THR A 432 1.477 28.374 5.217 1.00 0.00 N ATOM 286 CA THR A 432 1.203 28.970 3.920 1.00 0.00 C ATOM 287 C THR A 432 0.563 30.350 4.092 1.00 0.00 C ATOM 288 O THR A 432 0.222 30.745 5.206 1.00 0.00 O ATOM 289 CB THR A 432 0.333 27.993 3.126 1.00 0.00 C ATOM 290 OG1 THR A 432 -0.081 27.032 4.092 1.00 0.00 O ATOM 291 CG2 THR A 432 1.142 27.180 2.113 1.00 0.00 C ATOM 0 H THR A 432 0.663 28.280 5.824 1.00 0.00 H new ATOM 0 HA THR A 432 2.123 29.139 3.360 1.00 0.00 H new ATOM 0 HB THR A 432 -0.450 28.544 2.606 1.00 0.00 H new ATOM 0 HG1 THR A 432 0.683 26.474 4.346 1.00 0.00 H new ATOM 0 HG21 THR A 432 0.478 26.503 1.577 1.00 0.00 H new ATOM 0 HG22 THR A 432 1.621 27.855 1.404 1.00 0.00 H new ATOM 0 HG23 THR A 432 1.904 26.602 2.636 1.00 0.00 H new ATOM 299 N LEU A 433 0.422 31.045 2.974 1.00 0.00 N ATOM 300 CA LEU A 433 -0.169 32.372 2.986 1.00 0.00 C ATOM 301 C LEU A 433 -1.688 32.248 3.121 1.00 0.00 C ATOM 302 O LEU A 433 -2.338 31.602 2.299 1.00 0.00 O ATOM 303 CB LEU A 433 0.276 33.168 1.757 1.00 0.00 C ATOM 304 CG LEU A 433 1.414 34.166 1.980 1.00 0.00 C ATOM 305 CD1 LEU A 433 1.953 34.689 0.648 1.00 0.00 C ATOM 306 CD2 LEU A 433 0.975 35.301 2.907 1.00 0.00 C ATOM 0 H LEU A 433 0.707 30.714 2.052 1.00 0.00 H new ATOM 0 HA LEU A 433 0.183 32.938 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 433 0.584 32.463 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -0.586 33.711 1.369 1.00 0.00 H new ATOM 0 HG LEU A 433 2.233 33.645 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 433 2.761 35.396 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 433 2.330 33.855 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 433 1.152 35.188 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 433 1.803 35.996 3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 433 0.131 35.828 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 433 0.678 34.889 3.871 1.00 0.00 H new ATOM 318 N GLY A 434 -2.211 32.875 4.164 1.00 0.00 N ATOM 319 CA GLY A 434 -3.641 32.842 4.417 1.00 0.00 C ATOM 320 C GLY A 434 -4.042 31.549 5.130 1.00 0.00 C ATOM 321 O GLY A 434 -4.815 31.578 6.088 1.00 0.00 O ATOM 0 H GLY A 434 -1.670 33.409 4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -3.926 33.700 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -4.183 32.925 3.475 1.00 0.00 H new ATOM 325 N SER A 435 -3.500 30.447 4.636 1.00 0.00 N ATOM 326 CA SER A 435 -3.791 29.145 5.214 1.00 0.00 C ATOM 327 C SER A 435 -2.494 28.362 5.420 1.00 0.00 C ATOM 328 O SER A 435 -1.425 28.800 4.998 1.00 0.00 O ATOM 329 CB SER A 435 -4.754 28.352 4.327 1.00 0.00 C ATOM 330 OG SER A 435 -5.869 29.139 3.912 1.00 0.00 O ATOM 0 H SER A 435 -2.861 30.428 3.842 1.00 0.00 H new ATOM 0 HA SER A 435 -4.272 29.299 6.180 1.00 0.00 H new ATOM 0 HB2 SER A 435 -4.221 27.987 3.449 1.00 0.00 H new ATOM 0 HB3 SER A 435 -5.110 27.477 4.870 1.00 0.00 H new ATOM 0 HG SER A 435 -6.459 28.598 3.347 1.00 0.00 H new ATOM 336 N PHE A 436 -2.630 27.215 6.070 1.00 0.00 N ATOM 337 CA PHE A 436 -1.482 26.366 6.339 1.00 0.00 C ATOM 338 C PHE A 436 -1.435 25.183 5.368 1.00 0.00 C ATOM 339 O PHE A 436 -2.470 24.744 4.870 1.00 0.00 O ATOM 340 CB PHE A 436 -1.642 25.833 7.763 1.00 0.00 C ATOM 341 CG PHE A 436 -2.931 25.043 7.992 1.00 0.00 C ATOM 342 CD1 PHE A 436 -4.099 25.699 8.223 1.00 0.00 C ATOM 343 CD2 PHE A 436 -2.909 23.683 7.962 1.00 0.00 C ATOM 344 CE1 PHE A 436 -5.296 24.964 8.434 1.00 0.00 C ATOM 345 CE2 PHE A 436 -4.105 22.948 8.174 1.00 0.00 C ATOM 346 CZ PHE A 436 -5.274 23.604 8.405 1.00 0.00 C ATOM 0 H PHE A 436 -3.518 26.854 6.418 1.00 0.00 H new ATOM 0 HA PHE A 436 -0.562 26.938 6.220 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -0.790 25.195 7.998 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -1.614 26.672 8.459 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -4.117 26.779 8.246 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -1.981 23.162 7.777 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -6.224 25.485 8.618 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -4.087 21.868 8.152 1.00 0.00 H new ATOM 0 HZ PHE A 436 -6.184 23.045 8.565 1.00 0.00 H new ATOM 356 N GLU A 437 -0.224 24.704 5.127 1.00 0.00 N ATOM 357 CA GLU A 437 -0.029 23.581 4.225 1.00 0.00 C ATOM 358 C GLU A 437 0.488 22.365 4.996 1.00 0.00 C ATOM 359 O GLU A 437 1.263 22.507 5.940 1.00 0.00 O ATOM 360 CB GLU A 437 0.922 23.954 3.086 1.00 0.00 C ATOM 361 CG GLU A 437 1.433 22.702 2.368 1.00 0.00 C ATOM 362 CD GLU A 437 1.651 22.976 0.878 1.00 0.00 C ATOM 363 OE1 GLU A 437 2.798 22.953 0.405 1.00 0.00 O ATOM 364 OE2 GLU A 437 0.579 23.219 0.205 1.00 0.00 O ATOM 0 H GLU A 437 0.632 25.073 5.540 1.00 0.00 H new ATOM 0 HA GLU A 437 -0.991 23.323 3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 437 0.408 24.601 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 437 1.765 24.521 3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 437 2.368 22.374 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.717 21.890 2.491 1.00 0.00 H new ATOM 372 N CYS A 438 0.038 21.197 4.563 1.00 0.00 N ATOM 373 CA CYS A 438 0.444 19.955 5.201 1.00 0.00 C ATOM 374 C CYS A 438 0.586 18.883 4.120 1.00 0.00 C ATOM 375 O CYS A 438 -0.350 18.633 3.361 1.00 0.00 O ATOM 376 CB CYS A 438 -0.538 19.534 6.297 1.00 0.00 C ATOM 377 SG CYS A 438 0.041 18.162 7.360 1.00 0.00 S ATOM 0 H CYS A 438 -0.604 21.084 3.778 1.00 0.00 H new ATOM 0 HA CYS A 438 1.403 20.096 5.699 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.750 20.398 6.927 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.478 19.241 5.830 1.00 0.00 H new ATOM 382 N GLN A 439 1.763 18.278 4.081 1.00 0.00 N ATOM 383 CA GLN A 439 2.039 17.239 3.104 1.00 0.00 C ATOM 384 C GLN A 439 1.566 15.881 3.626 1.00 0.00 C ATOM 385 O GLN A 439 1.414 15.694 4.832 1.00 0.00 O ATOM 386 CB GLN A 439 3.527 17.202 2.749 1.00 0.00 C ATOM 387 CG GLN A 439 4.114 18.613 2.701 1.00 0.00 C ATOM 388 CD GLN A 439 5.376 18.653 1.834 1.00 0.00 C ATOM 389 OE1 GLN A 439 5.389 18.226 0.691 1.00 0.00 O ATOM 390 NE2 GLN A 439 6.431 19.188 2.440 1.00 0.00 N ATOM 0 H GLN A 439 2.538 18.487 4.711 1.00 0.00 H new ATOM 0 HA GLN A 439 1.487 17.468 2.192 1.00 0.00 H new ATOM 0 HB2 GLN A 439 4.065 16.605 3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 439 3.662 16.715 1.783 1.00 0.00 H new ATOM 0 HG2 GLN A 439 3.373 19.306 2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 439 4.352 18.946 3.711 1.00 0.00 H new ATOM 0 HE21 GLN A 439 6.351 19.526 3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 439 7.320 19.260 1.946 1.00 0.00 H new ATOM 399 N CYS A 440 1.348 14.967 2.692 1.00 0.00 N ATOM 400 CA CYS A 440 0.895 13.631 3.042 1.00 0.00 C ATOM 401 C CYS A 440 2.116 12.800 3.444 1.00 0.00 C ATOM 402 O CYS A 440 3.238 13.103 3.039 1.00 0.00 O ATOM 403 CB CYS A 440 0.113 12.981 1.900 1.00 0.00 C ATOM 404 SG CYS A 440 -1.667 13.406 1.849 1.00 0.00 S ATOM 0 H CYS A 440 1.477 15.125 1.693 1.00 0.00 H new ATOM 0 HA CYS A 440 0.202 13.688 3.882 1.00 0.00 H new ATOM 0 HB2 CYS A 440 0.569 13.273 0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 440 0.212 11.898 1.981 1.00 0.00 H new ATOM 409 N LEU A 441 1.856 11.770 4.237 1.00 0.00 N ATOM 410 CA LEU A 441 2.918 10.894 4.698 1.00 0.00 C ATOM 411 C LEU A 441 2.747 9.513 4.062 1.00 0.00 C ATOM 412 O LEU A 441 1.930 8.714 4.517 1.00 0.00 O ATOM 413 CB LEU A 441 2.965 10.866 6.227 1.00 0.00 C ATOM 414 CG LEU A 441 4.359 10.822 6.855 1.00 0.00 C ATOM 415 CD1 LEU A 441 5.115 9.563 6.425 1.00 0.00 C ATOM 416 CD2 LEU A 441 5.142 12.097 6.539 1.00 0.00 C ATOM 0 H LEU A 441 0.924 11.523 4.571 1.00 0.00 H new ATOM 0 HA LEU A 441 3.889 11.273 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.447 11.748 6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.405 9.997 6.572 1.00 0.00 H new ATOM 0 HG LEU A 441 4.245 10.774 7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 441 6.103 9.557 6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.561 8.680 6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 441 5.220 9.555 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 441 6.130 12.040 6.997 1.00 0.00 H new ATOM 0 HD22 LEU A 441 5.248 12.201 5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 441 4.607 12.960 6.935 1.00 0.00 H new ATOM 428 N GLN A 442 3.531 9.275 3.020 1.00 0.00 N ATOM 429 CA GLN A 442 3.475 8.003 2.317 1.00 0.00 C ATOM 430 C GLN A 442 2.129 7.849 1.605 1.00 0.00 C ATOM 431 O GLN A 442 1.929 8.394 0.521 1.00 0.00 O ATOM 432 CB GLN A 442 3.727 6.837 3.274 1.00 0.00 C ATOM 433 CG GLN A 442 5.208 6.743 3.645 1.00 0.00 C ATOM 434 CD GLN A 442 6.096 6.975 2.421 1.00 0.00 C ATOM 435 OE1 GLN A 442 6.456 8.243 2.244 1.00 0.00 O flip ATOM 436 NE2 GLN A 442 6.432 6.062 1.684 1.00 0.00 N flip ATOM 0 H GLN A 442 4.208 9.940 2.646 1.00 0.00 H new ATOM 0 HA GLN A 442 4.264 7.990 1.565 1.00 0.00 H new ATOM 0 HB2 GLN A 442 3.130 6.967 4.177 1.00 0.00 H new ATOM 0 HB3 GLN A 442 3.405 5.905 2.810 1.00 0.00 H new ATOM 0 HG2 GLN A 442 5.442 7.480 4.413 1.00 0.00 H new ATOM 0 HG3 GLN A 442 5.418 5.762 4.071 1.00 0.00 H new ATOM 0 HE21 GLN A 442 6.121 5.110 1.877 1.00 0.00 H new ATOM 0 HE22 GLN A 442 7.024 6.251 0.875 1.00 0.00 H new ATOM 445 N GLY A 443 1.240 7.104 2.246 1.00 0.00 N ATOM 446 CA GLY A 443 -0.081 6.870 1.689 1.00 0.00 C ATOM 447 C GLY A 443 -1.168 7.461 2.587 1.00 0.00 C ATOM 448 O GLY A 443 -1.934 6.726 3.207 1.00 0.00 O ATOM 0 H GLY A 443 1.409 6.655 3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -0.144 7.314 0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -0.245 5.799 1.571 1.00 0.00 H new ATOM 452 N TYR A 444 -1.200 8.785 2.630 1.00 0.00 N ATOM 453 CA TYR A 444 -2.180 9.485 3.443 1.00 0.00 C ATOM 454 C TYR A 444 -3.326 10.020 2.580 1.00 0.00 C ATOM 455 O TYR A 444 -3.173 10.180 1.371 1.00 0.00 O ATOM 456 CB TYR A 444 -1.439 10.664 4.075 1.00 0.00 C ATOM 457 CG TYR A 444 -1.112 10.471 5.558 1.00 0.00 C ATOM 458 CD1 TYR A 444 -0.412 9.356 5.971 1.00 0.00 C ATOM 459 CD2 TYR A 444 -1.517 11.412 6.482 1.00 0.00 C ATOM 460 CE1 TYR A 444 -0.105 9.175 7.364 1.00 0.00 C ATOM 461 CE2 TYR A 444 -1.210 11.232 7.877 1.00 0.00 C ATOM 462 CZ TYR A 444 -0.518 10.121 8.249 1.00 0.00 C ATOM 463 OH TYR A 444 -0.227 9.950 9.567 1.00 0.00 O ATOM 0 H TYR A 444 -0.562 9.392 2.115 1.00 0.00 H new ATOM 0 HA TYR A 444 -2.611 8.815 4.187 1.00 0.00 H new ATOM 0 HB2 TYR A 444 -0.511 10.832 3.528 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -2.044 11.563 3.961 1.00 0.00 H new ATOM 0 HD1 TYR A 444 -0.095 8.619 5.248 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -2.065 12.285 6.159 1.00 0.00 H new ATOM 0 HE1 TYR A 444 0.442 8.306 7.700 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -1.521 11.961 8.610 1.00 0.00 H new ATOM 0 HH TYR A 444 -0.254 10.817 10.023 1.00 0.00 H new ATOM 473 N THR A 445 -4.446 10.283 3.238 1.00 0.00 N ATOM 474 CA THR A 445 -5.616 10.797 2.547 1.00 0.00 C ATOM 475 C THR A 445 -5.783 12.292 2.822 1.00 0.00 C ATOM 476 O THR A 445 -4.874 13.081 2.564 1.00 0.00 O ATOM 477 CB THR A 445 -6.824 9.962 2.977 1.00 0.00 C ATOM 478 OG1 THR A 445 -7.938 10.650 2.417 1.00 0.00 O ATOM 479 CG2 THR A 445 -7.069 10.018 4.485 1.00 0.00 C ATOM 0 H THR A 445 -4.568 10.150 4.242 1.00 0.00 H new ATOM 0 HA THR A 445 -5.508 10.707 1.466 1.00 0.00 H new ATOM 0 HB THR A 445 -6.675 8.926 2.673 1.00 0.00 H new ATOM 0 HG1 THR A 445 -8.764 10.175 2.646 1.00 0.00 H new ATOM 0 HG21 THR A 445 -7.937 9.409 4.735 1.00 0.00 H new ATOM 0 HG22 THR A 445 -6.194 9.636 5.010 1.00 0.00 H new ATOM 0 HG23 THR A 445 -7.251 11.050 4.786 1.00 0.00 H new ATOM 487 N GLY A 446 -6.952 12.639 3.342 1.00 0.00 N ATOM 488 CA GLY A 446 -7.250 14.027 3.655 1.00 0.00 C ATOM 489 C GLY A 446 -7.743 14.774 2.414 1.00 0.00 C ATOM 490 O GLY A 446 -7.457 14.372 1.287 1.00 0.00 O ATOM 0 H GLY A 446 -7.704 11.983 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -8.008 14.073 4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -6.358 14.515 4.047 1.00 0.00 H new ATOM 494 N PRO A 447 -8.495 15.877 2.670 1.00 0.00 N ATOM 495 CA PRO A 447 -9.032 16.685 1.587 1.00 0.00 C ATOM 496 C PRO A 447 -7.936 17.538 0.946 1.00 0.00 C ATOM 497 O PRO A 447 -8.012 17.866 -0.238 1.00 0.00 O ATOM 498 CB PRO A 447 -10.134 17.516 2.225 1.00 0.00 C ATOM 499 CG PRO A 447 -9.867 17.486 3.720 1.00 0.00 C ATOM 500 CD PRO A 447 -8.854 16.384 3.992 1.00 0.00 C ATOM 0 HA PRO A 447 -9.428 16.083 0.769 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -10.121 18.538 1.847 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -11.117 17.104 1.996 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -9.484 18.449 4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -10.790 17.300 4.269 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -7.981 16.770 4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -9.281 15.598 4.615 1.00 0.00 H new ATOM 508 N ARG A 448 -6.940 17.874 1.754 1.00 0.00 N ATOM 509 CA ARG A 448 -5.831 18.683 1.280 1.00 0.00 C ATOM 510 C ARG A 448 -4.557 17.840 1.199 1.00 0.00 C ATOM 511 O ARG A 448 -3.544 18.291 0.668 1.00 0.00 O ATOM 512 CB ARG A 448 -5.586 19.878 2.204 1.00 0.00 C ATOM 513 CG ARG A 448 -6.867 20.692 2.398 1.00 0.00 C ATOM 514 CD ARG A 448 -7.156 21.561 1.174 1.00 0.00 C ATOM 515 NE ARG A 448 -6.059 22.534 0.971 1.00 0.00 N ATOM 516 CZ ARG A 448 -6.003 23.745 1.564 1.00 0.00 C ATOM 517 NH1 ARG A 448 -6.983 24.144 2.401 1.00 0.00 N ATOM 518 NH2 ARG A 448 -4.975 24.534 1.312 1.00 0.00 N ATOM 0 H ARG A 448 -6.879 17.600 2.735 1.00 0.00 H new ATOM 0 HA ARG A 448 -6.090 19.053 0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -5.224 19.527 3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -4.807 20.514 1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -7.706 20.019 2.577 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -6.771 21.323 3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -7.264 20.933 0.290 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -8.100 22.088 1.308 1.00 0.00 H new ATOM 0 HE ARG A 448 -5.298 22.273 0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -7.774 23.529 2.590 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -6.933 25.061 2.845 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -4.239 24.225 0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -4.917 25.452 1.752 1.00 0.00 H new ATOM 531 N CYS A 449 -4.650 16.632 1.735 1.00 0.00 N ATOM 532 CA CYS A 449 -3.517 15.722 1.730 1.00 0.00 C ATOM 533 C CYS A 449 -2.791 15.851 3.072 1.00 0.00 C ATOM 534 O CYS A 449 -1.619 16.224 3.112 1.00 0.00 O ATOM 535 CB CYS A 449 -2.583 15.987 0.547 1.00 0.00 C ATOM 536 SG CYS A 449 -1.574 14.551 0.030 1.00 0.00 S ATOM 0 H CYS A 449 -5.492 16.262 2.176 1.00 0.00 H new ATOM 0 HA CYS A 449 -3.870 14.698 1.606 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -3.180 16.318 -0.302 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -1.915 16.808 0.806 1.00 0.00 H new ATOM 541 N GLU A 450 -3.517 15.538 4.133 1.00 0.00 N ATOM 542 CA GLU A 450 -2.956 15.615 5.472 1.00 0.00 C ATOM 543 C GLU A 450 -3.721 14.691 6.422 1.00 0.00 C ATOM 544 O GLU A 450 -3.692 14.881 7.636 1.00 0.00 O ATOM 545 CB GLU A 450 -2.962 17.055 5.987 1.00 0.00 C ATOM 546 CG GLU A 450 -3.908 17.930 5.160 1.00 0.00 C ATOM 547 CD GLU A 450 -5.312 17.945 5.766 1.00 0.00 C ATOM 548 OE1 GLU A 450 -5.858 16.879 6.093 1.00 0.00 O ATOM 549 OE2 GLU A 450 -5.837 19.115 5.897 1.00 0.00 O ATOM 0 H GLU A 450 -4.489 15.230 4.094 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.919 15.283 5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -3.269 17.070 7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -1.953 17.464 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -3.519 18.947 5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -3.954 17.556 4.137 1.00 0.00 H new ATOM 557 N ILE A 451 -4.388 13.709 5.831 1.00 0.00 N ATOM 558 CA ILE A 451 -5.158 12.754 6.610 1.00 0.00 C ATOM 559 C ILE A 451 -4.641 11.342 6.334 1.00 0.00 C ATOM 560 O ILE A 451 -4.174 11.050 5.233 1.00 0.00 O ATOM 561 CB ILE A 451 -6.654 12.925 6.337 1.00 0.00 C ATOM 562 CG1 ILE A 451 -7.095 14.370 6.581 1.00 0.00 C ATOM 563 CG2 ILE A 451 -7.477 11.929 7.156 1.00 0.00 C ATOM 564 CD1 ILE A 451 -6.608 14.869 7.943 1.00 0.00 C ATOM 0 H ILE A 451 -4.411 13.555 4.823 1.00 0.00 H new ATOM 0 HA ILE A 451 -5.027 12.938 7.676 1.00 0.00 H new ATOM 0 HB ILE A 451 -6.836 12.706 5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -6.702 15.012 5.793 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -8.182 14.435 6.533 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -8.537 12.071 6.944 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -7.187 10.912 6.891 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -7.294 12.093 8.218 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.935 15.898 8.091 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -7.022 14.240 8.731 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -5.519 14.825 7.979 1.00 0.00 H new ATOM 576 N ASP A 452 -4.739 10.500 7.353 1.00 0.00 N ATOM 577 CA ASP A 452 -4.286 9.125 7.234 1.00 0.00 C ATOM 578 C ASP A 452 -5.493 8.213 6.999 1.00 0.00 C ATOM 579 O ASP A 452 -6.417 8.180 7.810 1.00 0.00 O ATOM 580 CB ASP A 452 -3.587 8.662 8.514 1.00 0.00 C ATOM 581 CG ASP A 452 -3.799 7.190 8.871 1.00 0.00 C ATOM 582 OD1 ASP A 452 -4.859 6.803 9.385 1.00 0.00 O ATOM 583 OD2 ASP A 452 -2.805 6.414 8.596 1.00 0.00 O ATOM 0 H ASP A 452 -5.126 10.744 8.265 1.00 0.00 H new ATOM 0 HA ASP A 452 -3.585 9.072 6.401 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -2.517 8.845 8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -3.938 9.276 9.344 1.00 0.00 H new ATOM 589 N VAL A 453 -5.446 7.497 5.885 1.00 0.00 N ATOM 590 CA VAL A 453 -6.523 6.588 5.533 1.00 0.00 C ATOM 591 C VAL A 453 -6.122 5.160 5.905 1.00 0.00 C ATOM 592 O VAL A 453 -4.957 4.895 6.202 1.00 0.00 O ATOM 593 CB VAL A 453 -6.876 6.744 4.054 1.00 0.00 C ATOM 594 CG1 VAL A 453 -5.615 6.888 3.200 1.00 0.00 C ATOM 595 CG2 VAL A 453 -7.735 5.573 3.568 1.00 0.00 C ATOM 0 H VAL A 453 -4.678 7.528 5.214 1.00 0.00 H new ATOM 0 HA VAL A 453 -7.425 6.828 6.096 1.00 0.00 H new ATOM 0 HB VAL A 453 -7.461 7.658 3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.896 6.997 2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -5.057 7.768 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -4.992 6.001 3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -7.972 5.709 2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -7.187 4.640 3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -8.659 5.535 4.145 1.00 0.00 H new ATOM 605 N ASN A 454 -7.107 4.275 5.877 1.00 0.00 N ATOM 606 CA ASN A 454 -6.871 2.879 6.207 1.00 0.00 C ATOM 607 C ASN A 454 -6.797 2.060 4.916 1.00 0.00 C ATOM 608 O ASN A 454 -7.810 1.850 4.252 1.00 0.00 O ATOM 609 CB ASN A 454 -8.009 2.316 7.060 1.00 0.00 C ATOM 610 CG ASN A 454 -7.695 0.890 7.518 1.00 0.00 C ATOM 611 OD1 ASN A 454 -6.934 0.164 6.899 1.00 0.00 O ATOM 612 ND2 ASN A 454 -8.319 0.531 8.636 1.00 0.00 N ATOM 0 H ASN A 454 -8.072 4.497 5.631 1.00 0.00 H new ATOM 0 HA ASN A 454 -5.937 2.817 6.765 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -8.168 2.955 7.929 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -8.936 2.322 6.487 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -8.173 -0.401 9.025 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -8.943 1.187 9.105 1.00 0.00 H new ATOM 619 N GLU A 455 -5.587 1.621 4.601 1.00 0.00 N ATOM 620 CA GLU A 455 -5.367 0.829 3.401 1.00 0.00 C ATOM 621 C GLU A 455 -5.631 -0.650 3.688 1.00 0.00 C ATOM 622 O GLU A 455 -5.822 -1.440 2.764 1.00 0.00 O ATOM 623 CB GLU A 455 -3.953 1.040 2.857 1.00 0.00 C ATOM 624 CG GLU A 455 -2.943 1.188 3.998 1.00 0.00 C ATOM 625 CD GLU A 455 -2.775 2.657 4.393 1.00 0.00 C ATOM 626 OE1 GLU A 455 -3.751 3.421 4.373 1.00 0.00 O ATOM 627 OE2 GLU A 455 -1.577 2.996 4.730 1.00 0.00 O ATOM 0 H GLU A 455 -4.749 1.798 5.155 1.00 0.00 H new ATOM 0 HA GLU A 455 -6.067 1.161 2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -3.673 0.197 2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -3.930 1.930 2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -3.276 0.611 4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -1.981 0.777 3.692 1.00 0.00 H new ATOM 635 N CYS A 456 -5.632 -0.981 4.971 1.00 0.00 N ATOM 636 CA CYS A 456 -5.869 -2.352 5.390 1.00 0.00 C ATOM 637 C CYS A 456 -7.373 -2.536 5.605 1.00 0.00 C ATOM 638 O CYS A 456 -7.812 -3.580 6.083 1.00 0.00 O ATOM 639 CB CYS A 456 -5.065 -2.708 6.642 1.00 0.00 C ATOM 640 SG CYS A 456 -5.801 -2.133 8.215 1.00 0.00 S ATOM 0 H CYS A 456 -5.472 -0.323 5.734 1.00 0.00 H new ATOM 0 HA CYS A 456 -5.528 -3.036 4.613 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -4.948 -3.791 6.686 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -4.066 -2.283 6.548 1.00 0.00 H new ATOM 645 N VAL A 457 -8.121 -1.505 5.241 1.00 0.00 N ATOM 646 CA VAL A 457 -9.565 -1.539 5.391 1.00 0.00 C ATOM 647 C VAL A 457 -10.165 -2.426 4.297 1.00 0.00 C ATOM 648 O VAL A 457 -10.838 -3.413 4.592 1.00 0.00 O ATOM 649 CB VAL A 457 -10.126 -0.116 5.379 1.00 0.00 C ATOM 650 CG1 VAL A 457 -11.123 0.072 4.232 1.00 0.00 C ATOM 651 CG2 VAL A 457 -10.768 0.230 6.725 1.00 0.00 C ATOM 0 H VAL A 457 -7.754 -0.641 4.843 1.00 0.00 H new ATOM 0 HA VAL A 457 -9.839 -1.975 6.352 1.00 0.00 H new ATOM 0 HB VAL A 457 -9.295 0.571 5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -11.506 1.092 4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -10.623 -0.114 3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -11.950 -0.628 4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -11.159 1.247 6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -11.582 -0.465 6.929 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -10.020 0.155 7.515 1.00 0.00 H new ATOM 661 N SER A 458 -9.899 -2.044 3.056 1.00 0.00 N ATOM 662 CA SER A 458 -10.404 -2.791 1.918 1.00 0.00 C ATOM 663 C SER A 458 -9.321 -3.733 1.387 1.00 0.00 C ATOM 664 O SER A 458 -9.512 -4.397 0.371 1.00 0.00 O ATOM 665 CB SER A 458 -10.878 -1.851 0.808 1.00 0.00 C ATOM 666 OG SER A 458 -11.944 -2.416 0.048 1.00 0.00 O ATOM 0 H SER A 458 -9.340 -1.226 2.814 1.00 0.00 H new ATOM 0 HA SER A 458 -11.259 -3.380 2.249 1.00 0.00 H new ATOM 0 HB2 SER A 458 -11.205 -0.908 1.247 1.00 0.00 H new ATOM 0 HB3 SER A 458 -10.043 -1.622 0.146 1.00 0.00 H new ATOM 0 HG SER A 458 -12.219 -1.785 -0.649 1.00 0.00 H new ATOM 672 N ASN A 459 -8.205 -3.761 2.103 1.00 0.00 N ATOM 673 CA ASN A 459 -7.090 -4.610 1.718 1.00 0.00 C ATOM 674 C ASN A 459 -6.477 -5.238 2.971 1.00 0.00 C ATOM 675 O ASN A 459 -5.268 -5.165 3.177 1.00 0.00 O ATOM 676 CB ASN A 459 -6.000 -3.802 1.012 1.00 0.00 C ATOM 677 CG ASN A 459 -6.611 -2.723 0.115 1.00 0.00 C ATOM 678 OD1 ASN A 459 -7.278 -1.782 0.778 1.00 0.00 O flip ATOM 679 ND2 ASN A 459 -6.485 -2.744 -1.098 1.00 0.00 N flip ATOM 0 H ASN A 459 -8.050 -3.210 2.947 1.00 0.00 H new ATOM 0 HA ASN A 459 -7.467 -5.375 1.040 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -5.349 -3.338 1.753 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -5.378 -4.468 0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -5.960 -3.496 -1.543 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -6.905 -2.009 -1.667 1.00 0.00 H new ATOM 686 N PRO A 460 -7.364 -5.858 3.795 1.00 0.00 N ATOM 687 CA PRO A 460 -6.923 -6.499 5.023 1.00 0.00 C ATOM 688 C PRO A 460 -6.218 -7.824 4.726 1.00 0.00 C ATOM 689 O PRO A 460 -5.919 -8.591 5.640 1.00 0.00 O ATOM 690 CB PRO A 460 -8.184 -6.668 5.854 1.00 0.00 C ATOM 691 CG PRO A 460 -9.344 -6.545 4.880 1.00 0.00 C ATOM 692 CD PRO A 460 -8.805 -5.965 3.583 1.00 0.00 C ATOM 0 HA PRO A 460 -6.183 -5.909 5.564 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -8.195 -7.636 6.354 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -8.244 -5.907 6.632 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -9.798 -7.520 4.702 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -10.121 -5.901 5.292 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -9.034 -6.611 2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -9.247 -4.992 3.371 1.00 0.00 H new ATOM 700 N CYS A 461 -5.972 -8.053 3.444 1.00 0.00 N ATOM 701 CA CYS A 461 -5.309 -9.273 3.017 1.00 0.00 C ATOM 702 C CYS A 461 -6.315 -10.423 3.105 1.00 0.00 C ATOM 703 O CYS A 461 -5.975 -11.573 2.828 1.00 0.00 O ATOM 704 CB CYS A 461 -4.051 -9.552 3.840 1.00 0.00 C ATOM 705 SG CYS A 461 -2.476 -9.150 2.997 1.00 0.00 S ATOM 0 H CYS A 461 -6.220 -7.415 2.688 1.00 0.00 H new ATOM 0 HA CYS A 461 -4.972 -9.164 1.986 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -4.106 -8.981 4.767 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -4.041 -10.607 4.115 1.00 0.00 H new ATOM 710 N GLN A 462 -7.534 -10.074 3.491 1.00 0.00 N ATOM 711 CA GLN A 462 -8.590 -11.062 3.619 1.00 0.00 C ATOM 712 C GLN A 462 -8.014 -12.395 4.105 1.00 0.00 C ATOM 713 O GLN A 462 -6.887 -12.446 4.594 1.00 0.00 O ATOM 714 CB GLN A 462 -9.339 -11.238 2.297 1.00 0.00 C ATOM 715 CG GLN A 462 -8.539 -12.108 1.325 1.00 0.00 C ATOM 716 CD GLN A 462 -9.067 -13.544 1.312 1.00 0.00 C ATOM 717 OE1 GLN A 462 -8.118 -14.472 1.397 1.00 0.00 O flip ATOM 718 NE2 GLN A 462 -10.259 -13.794 1.230 1.00 0.00 N flip ATOM 0 H GLN A 462 -7.813 -9.120 3.719 1.00 0.00 H new ATOM 0 HA GLN A 462 -9.306 -10.706 4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -10.311 -11.695 2.484 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -9.526 -10.262 1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -8.597 -11.686 0.322 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -7.487 -12.106 1.611 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -10.936 -13.034 1.168 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -10.578 -14.763 1.224 1.00 0.00 H new ATOM 727 N ASN A 463 -8.816 -13.439 3.954 1.00 0.00 N ATOM 728 CA ASN A 463 -8.402 -14.768 4.371 1.00 0.00 C ATOM 729 C ASN A 463 -8.524 -14.881 5.893 1.00 0.00 C ATOM 730 O ASN A 463 -9.020 -15.881 6.406 1.00 0.00 O ATOM 731 CB ASN A 463 -6.942 -15.032 3.994 1.00 0.00 C ATOM 732 CG ASN A 463 -6.064 -15.145 5.242 1.00 0.00 C ATOM 733 OD1 ASN A 463 -6.203 -16.047 6.050 1.00 0.00 O ATOM 734 ND2 ASN A 463 -5.157 -14.179 5.353 1.00 0.00 N ATOM 0 H ASN A 463 -9.751 -13.391 3.548 1.00 0.00 H new ATOM 0 HA ASN A 463 -9.042 -15.494 3.870 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -6.874 -15.952 3.413 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -6.575 -14.225 3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -4.523 -14.164 6.152 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -5.095 -13.453 4.639 1.00 0.00 H new ATOM 741 N ASP A 464 -8.063 -13.840 6.571 1.00 0.00 N ATOM 742 CA ASP A 464 -8.116 -13.811 8.023 1.00 0.00 C ATOM 743 C ASP A 464 -6.977 -12.936 8.551 1.00 0.00 C ATOM 744 O ASP A 464 -7.017 -12.484 9.695 1.00 0.00 O ATOM 745 CB ASP A 464 -7.946 -15.214 8.608 1.00 0.00 C ATOM 746 CG ASP A 464 -7.414 -15.256 10.042 1.00 0.00 C ATOM 747 OD1 ASP A 464 -8.088 -14.823 10.988 1.00 0.00 O ATOM 748 OD2 ASP A 464 -6.235 -15.766 10.173 1.00 0.00 O ATOM 0 H ASP A 464 -7.651 -13.011 6.142 1.00 0.00 H new ATOM 0 HA ASP A 464 -9.087 -13.413 8.319 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -8.910 -15.723 8.579 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -7.268 -15.779 7.968 1.00 0.00 H new ATOM 754 N ALA A 465 -5.990 -12.724 7.695 1.00 0.00 N ATOM 755 CA ALA A 465 -4.842 -11.910 8.061 1.00 0.00 C ATOM 756 C ALA A 465 -5.311 -10.727 8.909 1.00 0.00 C ATOM 757 O ALA A 465 -6.415 -10.219 8.716 1.00 0.00 O ATOM 758 CB ALA A 465 -4.105 -11.466 6.796 1.00 0.00 C ATOM 0 H ALA A 465 -5.960 -13.102 6.748 1.00 0.00 H new ATOM 0 HA ALA A 465 -4.138 -12.487 8.661 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -3.245 -10.856 7.071 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -3.766 -12.344 6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -4.778 -10.882 6.169 1.00 0.00 H new ATOM 764 N THR A 466 -4.450 -10.321 9.831 1.00 0.00 N ATOM 765 CA THR A 466 -4.762 -9.207 10.709 1.00 0.00 C ATOM 766 C THR A 466 -4.356 -7.884 10.056 1.00 0.00 C ATOM 767 O THR A 466 -3.172 -7.637 9.828 1.00 0.00 O ATOM 768 CB THR A 466 -4.075 -9.457 12.053 1.00 0.00 C ATOM 769 OG1 THR A 466 -4.927 -10.395 12.706 1.00 0.00 O ATOM 770 CG2 THR A 466 -4.107 -8.227 12.964 1.00 0.00 C ATOM 0 H THR A 466 -3.536 -10.745 9.989 1.00 0.00 H new ATOM 0 HA THR A 466 -5.835 -9.131 10.885 1.00 0.00 H new ATOM 0 HB THR A 466 -3.041 -9.756 11.884 1.00 0.00 H new ATOM 0 HG1 THR A 466 -4.557 -10.616 13.586 1.00 0.00 H new ATOM 0 HG21 THR A 466 -3.607 -8.458 13.904 1.00 0.00 H new ATOM 0 HG22 THR A 466 -3.596 -7.398 12.474 1.00 0.00 H new ATOM 0 HG23 THR A 466 -5.142 -7.948 13.163 1.00 0.00 H new ATOM 778 N CYS A 467 -5.361 -7.066 9.774 1.00 0.00 N ATOM 779 CA CYS A 467 -5.123 -5.775 9.152 1.00 0.00 C ATOM 780 C CYS A 467 -4.549 -4.830 10.211 1.00 0.00 C ATOM 781 O CYS A 467 -5.215 -4.521 11.197 1.00 0.00 O ATOM 782 CB CYS A 467 -6.394 -5.212 8.514 1.00 0.00 C ATOM 783 SG CYS A 467 -6.849 -3.528 9.065 1.00 0.00 S ATOM 0 H CYS A 467 -6.341 -7.273 9.965 1.00 0.00 H new ATOM 0 HA CYS A 467 -4.406 -5.887 8.339 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.267 -5.203 7.432 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -7.222 -5.886 8.732 1.00 0.00 H new ATOM 788 N LEU A 468 -3.320 -4.398 9.969 1.00 0.00 N ATOM 789 CA LEU A 468 -2.650 -3.497 10.890 1.00 0.00 C ATOM 790 C LEU A 468 -2.389 -2.162 10.188 1.00 0.00 C ATOM 791 O LEU A 468 -1.290 -1.921 9.691 1.00 0.00 O ATOM 792 CB LEU A 468 -1.387 -4.149 11.457 1.00 0.00 C ATOM 793 CG LEU A 468 -1.516 -4.750 12.859 1.00 0.00 C ATOM 794 CD1 LEU A 468 -0.138 -4.952 13.496 1.00 0.00 C ATOM 795 CD2 LEU A 468 -2.434 -3.898 13.738 1.00 0.00 C ATOM 0 H LEU A 468 -2.771 -4.655 9.149 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.286 -3.289 11.750 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -1.070 -4.936 10.773 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -0.593 -3.403 11.474 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.978 -5.733 12.769 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.257 -5.380 14.491 1.00 0.00 H new ATOM 0 HD12 LEU A 468 0.453 -5.628 12.878 1.00 0.00 H new ATOM 0 HD13 LEU A 468 0.372 -3.992 13.572 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -2.509 -4.347 14.728 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -2.023 -2.892 13.825 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -3.425 -3.847 13.287 1.00 0.00 H new ATOM 807 N ASP A 469 -3.419 -1.328 10.171 1.00 0.00 N ATOM 808 CA ASP A 469 -3.316 -0.024 9.540 1.00 0.00 C ATOM 809 C ASP A 469 -2.376 0.863 10.360 1.00 0.00 C ATOM 810 O ASP A 469 -2.637 1.132 11.531 1.00 0.00 O ATOM 811 CB ASP A 469 -4.680 0.666 9.475 1.00 0.00 C ATOM 812 CG ASP A 469 -4.633 2.195 9.510 1.00 0.00 C ATOM 813 OD1 ASP A 469 -4.966 2.820 10.527 1.00 0.00 O ATOM 814 OD2 ASP A 469 -4.228 2.754 8.420 1.00 0.00 O ATOM 0 H ASP A 469 -4.329 -1.531 10.585 1.00 0.00 H new ATOM 0 HA ASP A 469 -2.936 -0.169 8.529 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -5.185 0.354 8.561 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -5.287 0.317 10.310 1.00 0.00 H new ATOM 820 N GLN A 470 -1.303 1.290 9.712 1.00 0.00 N ATOM 821 CA GLN A 470 -0.324 2.142 10.366 1.00 0.00 C ATOM 822 C GLN A 470 -0.236 3.495 9.658 1.00 0.00 C ATOM 823 O GLN A 470 -1.007 3.769 8.738 1.00 0.00 O ATOM 824 CB GLN A 470 1.046 1.460 10.419 1.00 0.00 C ATOM 825 CG GLN A 470 1.187 0.609 11.681 1.00 0.00 C ATOM 826 CD GLN A 470 0.544 -0.767 11.489 1.00 0.00 C ATOM 827 OE1 GLN A 470 -0.614 -0.988 11.805 1.00 0.00 O ATOM 828 NE2 GLN A 470 1.357 -1.674 10.955 1.00 0.00 N ATOM 0 H GLN A 470 -1.090 1.062 8.741 1.00 0.00 H new ATOM 0 HA GLN A 470 -0.649 2.314 11.392 1.00 0.00 H new ATOM 0 HB2 GLN A 470 1.178 0.833 9.537 1.00 0.00 H new ATOM 0 HB3 GLN A 470 1.833 2.214 10.395 1.00 0.00 H new ATOM 0 HG2 GLN A 470 2.242 0.490 11.928 1.00 0.00 H new ATOM 0 HG3 GLN A 470 0.718 1.119 12.522 1.00 0.00 H new ATOM 0 HE21 GLN A 470 2.315 -1.421 10.714 1.00 0.00 H new ATOM 0 HE22 GLN A 470 1.022 -2.623 10.786 1.00 0.00 H new ATOM 837 N ILE A 471 0.708 4.304 10.111 1.00 0.00 N ATOM 838 CA ILE A 471 0.906 5.623 9.532 1.00 0.00 C ATOM 839 C ILE A 471 1.419 5.473 8.099 1.00 0.00 C ATOM 840 O ILE A 471 2.470 4.874 7.871 1.00 0.00 O ATOM 841 CB ILE A 471 1.813 6.471 10.427 1.00 0.00 C ATOM 842 CG1 ILE A 471 2.848 5.598 11.141 1.00 0.00 C ATOM 843 CG2 ILE A 471 0.990 7.305 11.410 1.00 0.00 C ATOM 844 CD1 ILE A 471 3.569 4.681 10.152 1.00 0.00 C ATOM 0 H ILE A 471 1.346 4.073 10.873 1.00 0.00 H new ATOM 0 HA ILE A 471 -0.040 6.162 9.477 1.00 0.00 H new ATOM 0 HB ILE A 471 2.361 7.169 9.795 1.00 0.00 H new ATOM 0 HG12 ILE A 471 3.574 6.232 11.650 1.00 0.00 H new ATOM 0 HG13 ILE A 471 2.356 4.998 11.907 1.00 0.00 H new ATOM 0 HG21 ILE A 471 1.659 7.898 12.034 1.00 0.00 H new ATOM 0 HG22 ILE A 471 0.326 7.969 10.857 1.00 0.00 H new ATOM 0 HG23 ILE A 471 0.397 6.643 12.041 1.00 0.00 H new ATOM 0 HD11 ILE A 471 4.299 4.072 10.686 1.00 0.00 H new ATOM 0 HD12 ILE A 471 2.843 4.032 9.662 1.00 0.00 H new ATOM 0 HD13 ILE A 471 4.080 5.285 9.402 1.00 0.00 H new ATOM 856 N GLY A 472 0.655 6.028 7.169 1.00 0.00 N ATOM 857 CA GLY A 472 1.021 5.964 5.765 1.00 0.00 C ATOM 858 C GLY A 472 1.611 4.597 5.414 1.00 0.00 C ATOM 859 O GLY A 472 2.426 4.485 4.499 1.00 0.00 O ATOM 0 H GLY A 472 -0.216 6.524 7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 472 0.143 6.155 5.148 1.00 0.00 H new ATOM 0 HA3 GLY A 472 1.746 6.746 5.538 1.00 0.00 H new ATOM 863 N GLU A 473 1.176 3.592 6.159 1.00 0.00 N ATOM 864 CA GLU A 473 1.651 2.236 5.938 1.00 0.00 C ATOM 865 C GLU A 473 0.748 1.232 6.656 1.00 0.00 C ATOM 866 O GLU A 473 0.124 1.564 7.663 1.00 0.00 O ATOM 867 CB GLU A 473 3.105 2.085 6.386 1.00 0.00 C ATOM 868 CG GLU A 473 3.197 1.949 7.908 1.00 0.00 C ATOM 869 CD GLU A 473 4.533 2.483 8.427 1.00 0.00 C ATOM 870 OE1 GLU A 473 4.953 3.585 8.040 1.00 0.00 O ATOM 871 OE2 GLU A 473 5.144 1.712 9.262 1.00 0.00 O ATOM 0 H GLU A 473 0.500 3.689 6.916 1.00 0.00 H new ATOM 0 HA GLU A 473 1.611 2.028 4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 473 3.547 1.209 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.682 2.950 6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 473 2.377 2.494 8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 473 3.085 0.902 8.190 1.00 0.00 H new ATOM 879 N PHE A 474 0.707 0.025 6.111 1.00 0.00 N ATOM 880 CA PHE A 474 -0.110 -1.029 6.688 1.00 0.00 C ATOM 881 C PHE A 474 0.576 -2.390 6.555 1.00 0.00 C ATOM 882 O PHE A 474 1.429 -2.577 5.690 1.00 0.00 O ATOM 883 CB PHE A 474 -1.425 -1.056 5.905 1.00 0.00 C ATOM 884 CG PHE A 474 -1.540 -2.223 4.923 1.00 0.00 C ATOM 885 CD1 PHE A 474 -1.761 -3.483 5.386 1.00 0.00 C ATOM 886 CD2 PHE A 474 -1.420 -2.002 3.585 1.00 0.00 C ATOM 887 CE1 PHE A 474 -1.868 -4.566 4.475 1.00 0.00 C ATOM 888 CE2 PHE A 474 -1.526 -3.086 2.675 1.00 0.00 C ATOM 889 CZ PHE A 474 -1.748 -4.345 3.138 1.00 0.00 C ATOM 0 H PHE A 474 1.226 -0.246 5.276 1.00 0.00 H new ATOM 0 HA PHE A 474 -0.271 -0.835 7.748 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -2.255 -1.105 6.610 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -1.528 -0.120 5.355 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -1.855 -3.659 6.447 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -1.244 -1.002 3.216 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -2.045 -5.566 4.843 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -1.430 -2.911 1.614 1.00 0.00 H new ATOM 0 HZ PHE A 474 -1.829 -5.169 2.445 1.00 0.00 H new ATOM 899 N GLN A 475 0.178 -3.304 7.428 1.00 0.00 N ATOM 900 CA GLN A 475 0.745 -4.642 7.419 1.00 0.00 C ATOM 901 C GLN A 475 -0.329 -5.676 7.763 1.00 0.00 C ATOM 902 O GLN A 475 -1.141 -5.456 8.661 1.00 0.00 O ATOM 903 CB GLN A 475 1.930 -4.740 8.381 1.00 0.00 C ATOM 904 CG GLN A 475 1.468 -5.147 9.782 1.00 0.00 C ATOM 905 CD GLN A 475 2.656 -5.262 10.739 1.00 0.00 C ATOM 906 OE1 GLN A 475 2.716 -6.421 11.389 1.00 0.00 O flip ATOM 907 NE2 GLN A 475 3.464 -4.358 10.880 1.00 0.00 N flip ATOM 0 H GLN A 475 -0.529 -3.145 8.145 1.00 0.00 H new ATOM 0 HA GLN A 475 1.115 -4.853 6.416 1.00 0.00 H new ATOM 0 HB2 GLN A 475 2.648 -5.469 8.005 1.00 0.00 H new ATOM 0 HB3 GLN A 475 2.445 -3.780 8.429 1.00 0.00 H new ATOM 0 HG2 GLN A 475 0.759 -4.412 10.163 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.942 -6.101 9.733 1.00 0.00 H new ATOM 0 HE21 GLN A 475 3.359 -3.493 10.350 1.00 0.00 H new ATOM 0 HE22 GLN A 475 4.244 -4.468 11.528 1.00 0.00 H new ATOM 916 N CYS A 476 -0.298 -6.781 7.033 1.00 0.00 N ATOM 917 CA CYS A 476 -1.259 -7.849 7.250 1.00 0.00 C ATOM 918 C CYS A 476 -0.497 -9.095 7.704 1.00 0.00 C ATOM 919 O CYS A 476 0.367 -9.595 6.983 1.00 0.00 O ATOM 920 CB CYS A 476 -2.099 -8.116 6.000 1.00 0.00 C ATOM 921 SG CYS A 476 -1.140 -8.603 4.520 1.00 0.00 S ATOM 0 H CYS A 476 0.378 -6.960 6.290 1.00 0.00 H new ATOM 0 HA CYS A 476 -1.966 -7.555 8.026 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -2.819 -8.903 6.224 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -2.671 -7.218 5.766 1.00 0.00 H new ATOM 926 N ILE A 477 -0.844 -9.562 8.894 1.00 0.00 N ATOM 927 CA ILE A 477 -0.202 -10.741 9.452 1.00 0.00 C ATOM 928 C ILE A 477 -0.823 -11.994 8.832 1.00 0.00 C ATOM 929 O ILE A 477 -2.039 -12.070 8.662 1.00 0.00 O ATOM 930 CB ILE A 477 -0.268 -10.714 10.981 1.00 0.00 C ATOM 931 CG1 ILE A 477 0.551 -9.550 11.543 1.00 0.00 C ATOM 932 CG2 ILE A 477 0.164 -12.058 11.571 1.00 0.00 C ATOM 933 CD1 ILE A 477 2.038 -9.722 11.224 1.00 0.00 C ATOM 0 H ILE A 477 -1.561 -9.146 9.488 1.00 0.00 H new ATOM 0 HA ILE A 477 0.859 -10.752 9.202 1.00 0.00 H new ATOM 0 HB ILE A 477 -1.304 -10.551 11.277 1.00 0.00 H new ATOM 0 HG12 ILE A 477 0.191 -8.611 11.122 1.00 0.00 H new ATOM 0 HG13 ILE A 477 0.411 -9.490 12.622 1.00 0.00 H new ATOM 0 HG21 ILE A 477 0.108 -12.013 12.659 1.00 0.00 H new ATOM 0 HG22 ILE A 477 -0.497 -12.845 11.206 1.00 0.00 H new ATOM 0 HG23 ILE A 477 1.188 -12.275 11.269 1.00 0.00 H new ATOM 0 HD11 ILE A 477 2.598 -8.882 11.634 1.00 0.00 H new ATOM 0 HD12 ILE A 477 2.400 -10.650 11.667 1.00 0.00 H new ATOM 0 HD13 ILE A 477 2.177 -9.757 10.143 1.00 0.00 H new ATOM 945 N CYS A 478 0.040 -12.947 8.512 1.00 0.00 N ATOM 946 CA CYS A 478 -0.409 -14.194 7.915 1.00 0.00 C ATOM 947 C CYS A 478 -0.421 -15.270 9.002 1.00 0.00 C ATOM 948 O CYS A 478 0.392 -15.235 9.925 1.00 0.00 O ATOM 949 CB CYS A 478 0.463 -14.595 6.723 1.00 0.00 C ATOM 950 SG CYS A 478 0.232 -13.573 5.224 1.00 0.00 S ATOM 0 H CYS A 478 1.048 -12.881 8.655 1.00 0.00 H new ATOM 0 HA CYS A 478 -1.417 -14.069 7.519 1.00 0.00 H new ATOM 0 HB2 CYS A 478 1.510 -14.543 7.023 1.00 0.00 H new ATOM 0 HB3 CYS A 478 0.254 -15.635 6.472 1.00 0.00 H new ATOM 955 N MET A 479 -1.351 -16.201 8.858 1.00 0.00 N ATOM 956 CA MET A 479 -1.480 -17.286 9.816 1.00 0.00 C ATOM 957 C MET A 479 -0.506 -18.421 9.493 1.00 0.00 C ATOM 958 O MET A 479 -0.135 -18.616 8.337 1.00 0.00 O ATOM 959 CB MET A 479 -2.914 -17.822 9.791 1.00 0.00 C ATOM 960 CG MET A 479 -3.256 -18.408 8.422 1.00 0.00 C ATOM 961 SD MET A 479 -4.807 -19.288 8.504 1.00 0.00 S ATOM 962 CE MET A 479 -5.552 -18.748 6.976 1.00 0.00 C ATOM 0 H MET A 479 -2.024 -16.227 8.092 1.00 0.00 H new ATOM 0 HA MET A 479 -1.244 -16.900 10.808 1.00 0.00 H new ATOM 0 HB2 MET A 479 -3.033 -18.587 10.558 1.00 0.00 H new ATOM 0 HB3 MET A 479 -3.611 -17.019 10.031 1.00 0.00 H new ATOM 0 HG2 MET A 479 -3.320 -17.611 7.682 1.00 0.00 H new ATOM 0 HG3 MET A 479 -2.463 -19.082 8.097 1.00 0.00 H new ATOM 0 HE1 MET A 479 -6.354 -18.042 7.192 1.00 0.00 H new ATOM 0 HE2 MET A 479 -4.799 -18.262 6.356 1.00 0.00 H new ATOM 0 HE3 MET A 479 -5.959 -19.609 6.445 1.00 0.00 H new ATOM 972 N PRO A 480 -0.108 -19.159 10.565 1.00 0.00 N ATOM 973 CA PRO A 480 0.815 -20.268 10.407 1.00 0.00 C ATOM 974 C PRO A 480 0.117 -21.480 9.788 1.00 0.00 C ATOM 975 O PRO A 480 0.013 -22.531 10.419 1.00 0.00 O ATOM 976 CB PRO A 480 1.347 -20.539 11.806 1.00 0.00 C ATOM 977 CG PRO A 480 0.360 -19.886 12.760 1.00 0.00 C ATOM 978 CD PRO A 480 -0.527 -18.956 11.949 1.00 0.00 C ATOM 0 HA PRO A 480 1.631 -20.041 9.721 1.00 0.00 H new ATOM 0 HB2 PRO A 480 1.423 -21.610 11.995 1.00 0.00 H new ATOM 0 HB3 PRO A 480 2.346 -20.122 11.932 1.00 0.00 H new ATOM 0 HG2 PRO A 480 -0.241 -20.643 13.264 1.00 0.00 H new ATOM 0 HG3 PRO A 480 0.889 -19.330 13.534 1.00 0.00 H new ATOM 0 HD2 PRO A 480 -1.581 -19.197 12.083 1.00 0.00 H new ATOM 0 HD3 PRO A 480 -0.396 -17.918 12.254 1.00 0.00 H new ATOM 986 N GLY A 481 -0.346 -21.293 8.561 1.00 0.00 N ATOM 987 CA GLY A 481 -1.031 -22.358 7.849 1.00 0.00 C ATOM 988 C GLY A 481 -1.053 -22.087 6.344 1.00 0.00 C ATOM 989 O GLY A 481 -0.852 -22.998 5.542 1.00 0.00 O ATOM 0 H GLY A 481 -0.260 -20.419 8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 481 -0.534 -23.308 8.044 1.00 0.00 H new ATOM 0 HA3 GLY A 481 -2.052 -22.450 8.220 1.00 0.00 H new ATOM 993 N TYR A 482 -1.297 -20.830 6.005 1.00 0.00 N ATOM 994 CA TYR A 482 -1.347 -20.427 4.610 1.00 0.00 C ATOM 995 C TYR A 482 -0.258 -19.398 4.297 1.00 0.00 C ATOM 996 O TYR A 482 0.403 -18.893 5.203 1.00 0.00 O ATOM 997 CB TYR A 482 -2.718 -19.779 4.407 1.00 0.00 C ATOM 998 CG TYR A 482 -3.863 -20.782 4.255 1.00 0.00 C ATOM 999 CD1 TYR A 482 -4.464 -21.315 5.377 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -4.296 -21.152 2.998 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -5.543 -22.259 5.235 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -5.374 -22.095 2.856 1.00 0.00 C ATOM 1003 CZ TYR A 482 -5.944 -22.603 3.981 1.00 0.00 C ATOM 1004 OH TYR A 482 -6.962 -23.493 3.848 1.00 0.00 O ATOM 0 H TYR A 482 -1.462 -20.077 6.673 1.00 0.00 H new ATOM 0 HA TYR A 482 -1.189 -21.285 3.957 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -2.930 -19.127 5.255 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -2.682 -19.147 3.520 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -4.126 -21.025 6.361 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -3.826 -20.734 2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -6.023 -22.684 6.104 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -5.722 -22.392 1.878 1.00 0.00 H new ATOM 0 HH TYR A 482 -7.142 -23.644 2.897 1.00 0.00 H new ATOM 1014 N GLU A 483 -0.105 -19.118 3.011 1.00 0.00 N ATOM 1015 CA GLU A 483 0.892 -18.159 2.567 1.00 0.00 C ATOM 1016 C GLU A 483 0.379 -17.384 1.352 1.00 0.00 C ATOM 1017 O GLU A 483 -0.742 -17.608 0.895 1.00 0.00 O ATOM 1018 CB GLU A 483 2.219 -18.852 2.256 1.00 0.00 C ATOM 1019 CG GLU A 483 3.396 -17.893 2.449 1.00 0.00 C ATOM 1020 CD GLU A 483 4.132 -17.657 1.128 1.00 0.00 C ATOM 1021 OE1 GLU A 483 3.579 -17.028 0.213 1.00 0.00 O ATOM 1022 OE2 GLU A 483 5.323 -18.152 1.070 1.00 0.00 O ATOM 0 H GLU A 483 -0.655 -19.539 2.262 1.00 0.00 H new ATOM 0 HA GLU A 483 1.072 -17.450 3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 483 2.341 -19.719 2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 483 2.210 -19.220 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 483 3.035 -16.943 2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 483 4.087 -18.302 3.186 1.00 0.00 H new ATOM 1030 N GLY A 484 1.224 -16.491 0.859 1.00 0.00 N ATOM 1031 CA GLY A 484 0.872 -15.682 -0.295 1.00 0.00 C ATOM 1032 C GLY A 484 0.658 -14.221 0.102 1.00 0.00 C ATOM 1033 O GLY A 484 1.037 -13.811 1.198 1.00 0.00 O ATOM 0 H GLY A 484 2.153 -16.310 1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 484 1.662 -15.747 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -0.035 -16.074 -0.755 1.00 0.00 H new ATOM 1037 N VAL A 485 0.051 -13.475 -0.809 1.00 0.00 N ATOM 1038 CA VAL A 485 -0.218 -12.069 -0.567 1.00 0.00 C ATOM 1039 C VAL A 485 -1.425 -11.937 0.364 1.00 0.00 C ATOM 1040 O VAL A 485 -1.467 -11.044 1.210 1.00 0.00 O ATOM 1041 CB VAL A 485 -0.406 -11.334 -1.897 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -1.882 -11.028 -2.151 1.00 0.00 C ATOM 1043 CG2 VAL A 485 0.435 -10.057 -1.941 1.00 0.00 C ATOM 0 H VAL A 485 -0.262 -13.819 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 485 0.630 -11.599 -0.069 1.00 0.00 H new ATOM 0 HB VAL A 485 -0.059 -11.991 -2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -1.987 -10.506 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -2.446 -11.960 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -2.267 -10.400 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 485 0.283 -9.554 -2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 485 0.133 -9.394 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 485 1.489 -10.311 -1.828 1.00 0.00 H new ATOM 1053 N HIS A 486 -2.377 -12.839 0.176 1.00 0.00 N ATOM 1054 CA HIS A 486 -3.582 -12.835 0.989 1.00 0.00 C ATOM 1055 C HIS A 486 -3.563 -14.031 1.942 1.00 0.00 C ATOM 1056 O HIS A 486 -4.582 -14.369 2.542 1.00 0.00 O ATOM 1057 CB HIS A 486 -4.831 -12.799 0.107 1.00 0.00 C ATOM 1058 CG HIS A 486 -4.777 -13.740 -1.073 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -4.007 -14.842 -1.298 1.00 0.00 N flip ATOM 1060 CD2 HIS A 486 -5.581 -13.590 -2.189 1.00 0.00 C flip ATOM 1061 CE1 HIS A 486 -4.325 -15.340 -2.489 1.00 0.00 C flip ATOM 1062 NE2 HIS A 486 -5.300 -14.564 -3.042 1.00 0.00 N flip ATOM 0 H HIS A 486 -2.339 -13.577 -0.527 1.00 0.00 H new ATOM 0 HA HIS A 486 -3.611 -11.931 1.598 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -5.701 -13.046 0.716 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -4.976 -11.782 -0.258 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -6.314 -12.811 -2.339 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -3.884 -16.215 -2.943 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -5.736 -14.708 -3.953 1.00 0.00 H new ATOM 1070 N CYS A 487 -2.392 -14.642 2.050 1.00 0.00 N ATOM 1071 CA CYS A 487 -2.225 -15.794 2.919 1.00 0.00 C ATOM 1072 C CYS A 487 -3.457 -16.690 2.770 1.00 0.00 C ATOM 1073 O CYS A 487 -4.060 -17.094 3.762 1.00 0.00 O ATOM 1074 CB CYS A 487 -1.997 -15.378 4.374 1.00 0.00 C ATOM 1075 SG CYS A 487 -1.635 -13.599 4.614 1.00 0.00 S ATOM 0 H CYS A 487 -1.549 -14.360 1.549 1.00 0.00 H new ATOM 0 HA CYS A 487 -1.334 -16.348 2.624 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -2.883 -15.636 4.954 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -1.170 -15.961 4.779 1.00 0.00 H new ATOM 1080 N GLU A 488 -3.792 -16.976 1.520 1.00 0.00 N ATOM 1081 CA GLU A 488 -4.941 -17.816 1.228 1.00 0.00 C ATOM 1082 C GLU A 488 -4.499 -19.078 0.484 1.00 0.00 C ATOM 1083 O GLU A 488 -5.312 -19.959 0.211 1.00 0.00 O ATOM 1084 CB GLU A 488 -5.993 -17.048 0.426 1.00 0.00 C ATOM 1085 CG GLU A 488 -7.084 -17.989 -0.089 1.00 0.00 C ATOM 1086 CD GLU A 488 -8.393 -17.232 -0.328 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -8.590 -16.660 -1.410 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -9.222 -17.250 0.661 1.00 0.00 O ATOM 0 H GLU A 488 -3.288 -16.641 0.699 1.00 0.00 H new ATOM 0 HA GLU A 488 -5.398 -18.114 2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -6.440 -16.275 1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -5.517 -16.542 -0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -6.756 -18.458 -1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -7.249 -18.790 0.632 1.00 0.00 H new ATOM 1096 N VAL A 489 -3.210 -19.125 0.177 1.00 0.00 N ATOM 1097 CA VAL A 489 -2.650 -20.265 -0.529 1.00 0.00 C ATOM 1098 C VAL A 489 -2.196 -21.316 0.486 1.00 0.00 C ATOM 1099 O VAL A 489 -1.366 -21.032 1.348 1.00 0.00 O ATOM 1100 CB VAL A 489 -1.525 -19.804 -1.457 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -1.763 -18.371 -1.939 1.00 0.00 C ATOM 1102 CG2 VAL A 489 -0.162 -19.932 -0.772 1.00 0.00 C ATOM 0 H VAL A 489 -2.538 -18.392 0.404 1.00 0.00 H new ATOM 0 HA VAL A 489 -3.405 -20.731 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 489 -1.524 -20.456 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -0.948 -18.068 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -2.706 -18.322 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -1.804 -17.700 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 489 0.620 -19.598 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 489 -0.147 -19.316 0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 489 0.013 -20.973 -0.502 1.00 0.00 H new ATOM 1112 N ASN A 490 -2.760 -22.506 0.350 1.00 0.00 N ATOM 1113 CA ASN A 490 -2.424 -23.601 1.245 1.00 0.00 C ATOM 1114 C ASN A 490 -0.952 -23.974 1.057 1.00 0.00 C ATOM 1115 O ASN A 490 -0.622 -24.808 0.214 1.00 0.00 O ATOM 1116 CB ASN A 490 -3.269 -24.840 0.943 1.00 0.00 C ATOM 1117 CG ASN A 490 -3.394 -25.062 -0.567 1.00 0.00 C ATOM 1118 OD1 ASN A 490 -2.638 -24.531 -1.364 1.00 0.00 O ATOM 1119 ND2 ASN A 490 -4.390 -25.874 -0.912 1.00 0.00 N ATOM 0 H ASN A 490 -3.448 -22.737 -0.367 1.00 0.00 H new ATOM 0 HA ASN A 490 -2.619 -23.273 2.266 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -2.816 -25.716 1.407 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -4.260 -24.724 1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 490 -4.558 -26.086 -1.896 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -4.985 -26.285 -0.193 1.00 0.00 H new ATOM 1126 N THR A 491 -0.106 -23.339 1.853 1.00 0.00 N ATOM 1127 CA THR A 491 1.323 -23.594 1.784 1.00 0.00 C ATOM 1128 C THR A 491 1.812 -23.500 0.337 1.00 0.00 C ATOM 1129 O THR A 491 1.012 -23.344 -0.584 1.00 0.00 O ATOM 1130 CB THR A 491 1.592 -24.955 2.430 1.00 0.00 C ATOM 1131 OG1 THR A 491 1.051 -24.830 3.742 1.00 0.00 O ATOM 1132 CG2 THR A 491 3.083 -25.206 2.665 1.00 0.00 C ATOM 0 H THR A 491 -0.382 -22.648 2.550 1.00 0.00 H new ATOM 0 HA THR A 491 1.887 -22.840 2.334 1.00 0.00 H new ATOM 0 HB THR A 491 1.186 -25.744 1.797 1.00 0.00 H new ATOM 0 HG1 THR A 491 1.181 -25.669 4.231 1.00 0.00 H new ATOM 0 HG21 THR A 491 3.219 -26.185 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 491 3.612 -25.176 1.712 1.00 0.00 H new ATOM 0 HG23 THR A 491 3.482 -24.436 3.325 1.00 0.00 H new ATOM 1140 N ASP A 492 3.125 -23.599 0.182 1.00 0.00 N ATOM 1141 CA ASP A 492 3.729 -23.527 -1.136 1.00 0.00 C ATOM 1142 C ASP A 492 3.949 -24.943 -1.670 1.00 0.00 C ATOM 1143 O ASP A 492 4.162 -25.876 -0.897 1.00 0.00 O ATOM 1144 CB ASP A 492 5.089 -22.827 -1.081 1.00 0.00 C ATOM 1145 CG ASP A 492 6.022 -23.135 -2.253 1.00 0.00 C ATOM 1146 OD1 ASP A 492 6.887 -24.019 -2.165 1.00 0.00 O ATOM 1147 OD2 ASP A 492 5.835 -22.411 -3.305 1.00 0.00 O ATOM 0 H ASP A 492 3.786 -23.728 0.948 1.00 0.00 H new ATOM 0 HA ASP A 492 3.058 -22.963 -1.784 1.00 0.00 H new ATOM 0 HB2 ASP A 492 4.925 -21.750 -1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 492 5.589 -23.109 -0.154 1.00 0.00 H new ATOM 1153 N GLU A 493 3.889 -25.062 -2.988 1.00 0.00 N ATOM 1154 CA GLU A 493 4.079 -26.349 -3.634 1.00 0.00 C ATOM 1155 C GLU A 493 4.927 -26.189 -4.897 1.00 0.00 C ATOM 1156 O GLU A 493 4.892 -27.040 -5.785 1.00 0.00 O ATOM 1157 CB GLU A 493 2.734 -27.004 -3.955 1.00 0.00 C ATOM 1158 CG GLU A 493 1.838 -26.054 -4.752 1.00 0.00 C ATOM 1159 CD GLU A 493 0.883 -25.297 -3.826 1.00 0.00 C ATOM 1160 OE1 GLU A 493 -0.275 -25.052 -4.197 1.00 0.00 O ATOM 1161 OE2 GLU A 493 1.381 -24.962 -2.684 1.00 0.00 O ATOM 0 H GLU A 493 3.711 -24.287 -3.627 1.00 0.00 H new ATOM 0 HA GLU A 493 4.610 -27.005 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 493 2.898 -27.919 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 493 2.235 -27.290 -3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 493 2.454 -25.344 -5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 493 1.266 -26.619 -5.488 1.00 0.00 H new ATOM 1169 N CYS A 494 5.670 -25.093 -4.939 1.00 0.00 N ATOM 1170 CA CYS A 494 6.526 -24.811 -6.078 1.00 0.00 C ATOM 1171 C CYS A 494 7.928 -24.487 -5.558 1.00 0.00 C ATOM 1172 O CYS A 494 8.660 -23.716 -6.175 1.00 0.00 O ATOM 1173 CB CYS A 494 5.963 -23.679 -6.942 1.00 0.00 C ATOM 1174 SG CYS A 494 6.196 -23.901 -8.743 1.00 0.00 S ATOM 0 H CYS A 494 5.697 -24.389 -4.201 1.00 0.00 H new ATOM 0 HA CYS A 494 6.573 -25.686 -6.726 1.00 0.00 H new ATOM 0 HB2 CYS A 494 4.897 -23.580 -6.737 1.00 0.00 H new ATOM 0 HB3 CYS A 494 6.434 -22.743 -6.642 1.00 0.00 H new ATOM 1179 N ALA A 495 8.260 -25.096 -4.428 1.00 0.00 N ATOM 1180 CA ALA A 495 9.561 -24.883 -3.818 1.00 0.00 C ATOM 1181 C ALA A 495 10.625 -25.629 -4.624 1.00 0.00 C ATOM 1182 O ALA A 495 11.818 -25.365 -4.479 1.00 0.00 O ATOM 1183 CB ALA A 495 9.519 -25.328 -2.355 1.00 0.00 C ATOM 0 H ALA A 495 7.650 -25.737 -3.920 1.00 0.00 H new ATOM 0 HA ALA A 495 9.821 -23.825 -3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 495 10.495 -25.168 -1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 495 8.768 -24.747 -1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 495 9.264 -26.386 -2.304 1.00 0.00 H new ATOM 1189 N SER A 496 10.156 -26.546 -5.457 1.00 0.00 N ATOM 1190 CA SER A 496 11.053 -27.333 -6.286 1.00 0.00 C ATOM 1191 C SER A 496 11.444 -26.538 -7.534 1.00 0.00 C ATOM 1192 O SER A 496 12.602 -26.151 -7.690 1.00 0.00 O ATOM 1193 CB SER A 496 10.411 -28.663 -6.684 1.00 0.00 C ATOM 1194 OG SER A 496 10.645 -29.681 -5.715 1.00 0.00 O ATOM 0 H SER A 496 9.166 -26.762 -5.576 1.00 0.00 H new ATOM 0 HA SER A 496 11.950 -27.553 -5.707 1.00 0.00 H new ATOM 0 HB2 SER A 496 9.337 -28.523 -6.811 1.00 0.00 H new ATOM 0 HB3 SER A 496 10.807 -28.982 -7.648 1.00 0.00 H new ATOM 0 HG SER A 496 10.217 -30.514 -6.005 1.00 0.00 H new ATOM 1200 N SER A 497 10.458 -26.318 -8.390 1.00 0.00 N ATOM 1201 CA SER A 497 10.685 -25.575 -9.618 1.00 0.00 C ATOM 1202 C SER A 497 9.902 -24.262 -9.587 1.00 0.00 C ATOM 1203 O SER A 497 8.709 -24.237 -9.889 1.00 0.00 O ATOM 1204 CB SER A 497 10.287 -26.402 -10.842 1.00 0.00 C ATOM 1205 OG SER A 497 11.395 -27.112 -11.390 1.00 0.00 O ATOM 0 H SER A 497 9.500 -26.641 -8.258 1.00 0.00 H new ATOM 0 HA SER A 497 11.750 -25.353 -9.693 1.00 0.00 H new ATOM 0 HB2 SER A 497 9.505 -27.109 -10.563 1.00 0.00 H new ATOM 0 HB3 SER A 497 9.866 -25.744 -11.602 1.00 0.00 H new ATOM 0 HG SER A 497 11.100 -27.629 -12.168 1.00 0.00 H new ATOM 1211 N PRO A 498 10.623 -23.171 -9.212 1.00 0.00 N ATOM 1212 CA PRO A 498 10.009 -21.856 -9.139 1.00 0.00 C ATOM 1213 C PRO A 498 9.792 -21.274 -10.535 1.00 0.00 C ATOM 1214 O PRO A 498 9.217 -20.196 -10.682 1.00 0.00 O ATOM 1215 CB PRO A 498 10.956 -21.026 -8.289 1.00 0.00 C ATOM 1216 CG PRO A 498 12.287 -21.763 -8.307 1.00 0.00 C ATOM 1217 CD PRO A 498 12.037 -23.160 -8.847 1.00 0.00 C ATOM 0 HA PRO A 498 9.014 -21.881 -8.694 1.00 0.00 H new ATOM 0 HB2 PRO A 498 11.062 -20.019 -8.692 1.00 0.00 H new ATOM 0 HB3 PRO A 498 10.580 -20.924 -7.271 1.00 0.00 H new ATOM 0 HG2 PRO A 498 13.007 -21.235 -8.932 1.00 0.00 H new ATOM 0 HG3 PRO A 498 12.710 -21.811 -7.304 1.00 0.00 H new ATOM 0 HD2 PRO A 498 12.670 -23.370 -9.709 1.00 0.00 H new ATOM 0 HD3 PRO A 498 12.258 -23.919 -8.097 1.00 0.00 H new ATOM 1225 N CYS A 499 10.265 -22.011 -11.530 1.00 0.00 N ATOM 1226 CA CYS A 499 10.129 -21.582 -12.911 1.00 0.00 C ATOM 1227 C CYS A 499 10.366 -20.072 -12.970 1.00 0.00 C ATOM 1228 O CYS A 499 9.472 -19.313 -13.342 1.00 0.00 O ATOM 1229 CB CYS A 499 8.767 -21.968 -13.493 1.00 0.00 C ATOM 1230 SG CYS A 499 7.804 -23.147 -12.477 1.00 0.00 S ATOM 0 H CYS A 499 10.743 -22.903 -11.406 1.00 0.00 H new ATOM 0 HA CYS A 499 10.871 -22.091 -13.527 1.00 0.00 H new ATOM 0 HB2 CYS A 499 8.177 -21.062 -13.631 1.00 0.00 H new ATOM 0 HB3 CYS A 499 8.920 -22.402 -14.481 1.00 0.00 H new ATOM 1235 N LEU A 500 11.576 -19.680 -12.597 1.00 0.00 N ATOM 1236 CA LEU A 500 11.942 -18.275 -12.601 1.00 0.00 C ATOM 1237 C LEU A 500 12.507 -17.904 -13.974 1.00 0.00 C ATOM 1238 O LEU A 500 12.889 -18.779 -14.749 1.00 0.00 O ATOM 1239 CB LEU A 500 12.892 -17.964 -11.442 1.00 0.00 C ATOM 1240 CG LEU A 500 14.370 -18.267 -11.685 1.00 0.00 C ATOM 1241 CD1 LEU A 500 14.558 -19.688 -12.222 1.00 0.00 C ATOM 1242 CD2 LEU A 500 15.001 -17.221 -12.606 1.00 0.00 C ATOM 0 H LEU A 500 12.315 -20.312 -12.290 1.00 0.00 H new ATOM 0 HA LEU A 500 11.062 -17.653 -12.437 1.00 0.00 H new ATOM 0 HB2 LEU A 500 12.795 -16.907 -11.193 1.00 0.00 H new ATOM 0 HB3 LEU A 500 12.565 -18.529 -10.569 1.00 0.00 H new ATOM 0 HG LEU A 500 14.890 -18.211 -10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 500 15.619 -19.878 -12.386 1.00 0.00 H new ATOM 0 HD12 LEU A 500 14.169 -20.405 -11.499 1.00 0.00 H new ATOM 0 HD13 LEU A 500 14.020 -19.795 -13.164 1.00 0.00 H new ATOM 0 HD21 LEU A 500 16.053 -17.461 -12.762 1.00 0.00 H new ATOM 0 HD22 LEU A 500 14.483 -17.221 -13.565 1.00 0.00 H new ATOM 0 HD23 LEU A 500 14.918 -16.235 -12.148 1.00 0.00 H new ATOM 1254 N HIS A 501 12.542 -16.605 -14.233 1.00 0.00 N ATOM 1255 CA HIS A 501 13.055 -16.108 -15.499 1.00 0.00 C ATOM 1256 C HIS A 501 12.098 -16.498 -16.628 1.00 0.00 C ATOM 1257 O HIS A 501 11.571 -15.634 -17.327 1.00 0.00 O ATOM 1258 CB HIS A 501 14.484 -16.597 -15.737 1.00 0.00 C ATOM 1259 CG HIS A 501 15.537 -15.794 -15.012 1.00 0.00 C ATOM 1260 ND1 HIS A 501 15.425 -14.695 -14.211 1.00 0.00 N flip ATOM 1261 CD2 HIS A 501 16.887 -16.097 -15.073 1.00 0.00 C flip ATOM 1262 CE1 HIS A 501 16.640 -14.348 -13.804 1.00 0.00 C flip ATOM 1263 NE2 HIS A 501 17.546 -15.215 -14.337 1.00 0.00 N flip ATOM 0 H HIS A 501 12.224 -15.882 -13.588 1.00 0.00 H new ATOM 0 HA HIS A 501 13.107 -15.020 -15.472 1.00 0.00 H new ATOM 0 HB2 HIS A 501 14.557 -17.639 -15.425 1.00 0.00 H new ATOM 0 HB3 HIS A 501 14.693 -16.569 -16.806 1.00 0.00 H new ATOM 0 HD2 HIS A 501 17.327 -16.913 -15.626 1.00 0.00 H new ATOM 0 HE1 HIS A 501 16.872 -13.515 -13.157 1.00 0.00 H new ATOM 0 HE2 HIS A 501 18.556 -15.189 -14.194 1.00 0.00 H new ATOM 1271 N ASN A 502 11.904 -17.801 -16.771 1.00 0.00 N ATOM 1272 CA ASN A 502 11.022 -18.318 -17.803 1.00 0.00 C ATOM 1273 C ASN A 502 9.575 -17.967 -17.452 1.00 0.00 C ATOM 1274 O ASN A 502 8.666 -18.184 -18.255 1.00 0.00 O ATOM 1275 CB ASN A 502 11.127 -19.841 -17.908 1.00 0.00 C ATOM 1276 CG ASN A 502 11.986 -20.250 -19.106 1.00 0.00 C ATOM 1277 OD1 ASN A 502 13.152 -19.908 -19.212 1.00 0.00 O ATOM 1278 ND2 ASN A 502 11.345 -20.998 -20.000 1.00 0.00 N ATOM 0 H ASN A 502 12.343 -18.514 -16.189 1.00 0.00 H new ATOM 0 HA ASN A 502 11.316 -17.871 -18.753 1.00 0.00 H new ATOM 0 HB2 ASN A 502 11.559 -20.243 -16.992 1.00 0.00 H new ATOM 0 HB3 ASN A 502 10.131 -20.272 -18.006 1.00 0.00 H new ATOM 0 HD21 ASN A 502 11.831 -21.321 -20.837 1.00 0.00 H new ATOM 0 HD22 ASN A 502 10.368 -21.248 -19.849 1.00 0.00 H new ATOM 1285 N GLY A 503 9.403 -17.432 -16.252 1.00 0.00 N ATOM 1286 CA GLY A 503 8.081 -17.049 -15.786 1.00 0.00 C ATOM 1287 C GLY A 503 8.026 -17.024 -14.256 1.00 0.00 C ATOM 1288 O GLY A 503 9.063 -16.994 -13.596 1.00 0.00 O ATOM 0 H GLY A 503 10.157 -17.255 -15.588 1.00 0.00 H new ATOM 0 HA2 GLY A 503 7.823 -16.066 -16.179 1.00 0.00 H new ATOM 0 HA3 GLY A 503 7.339 -17.750 -16.169 1.00 0.00 H new ATOM 1292 N ARG A 504 6.806 -17.037 -13.740 1.00 0.00 N ATOM 1293 CA ARG A 504 6.602 -17.015 -12.301 1.00 0.00 C ATOM 1294 C ARG A 504 5.631 -18.123 -11.886 1.00 0.00 C ATOM 1295 O ARG A 504 4.665 -18.404 -12.594 1.00 0.00 O ATOM 1296 CB ARG A 504 6.049 -15.664 -11.844 1.00 0.00 C ATOM 1297 CG ARG A 504 6.709 -15.216 -10.537 1.00 0.00 C ATOM 1298 CD ARG A 504 6.802 -13.691 -10.466 1.00 0.00 C ATOM 1299 NE ARG A 504 7.251 -13.273 -9.118 1.00 0.00 N ATOM 1300 CZ ARG A 504 7.451 -11.990 -8.751 1.00 0.00 C ATOM 1301 NH1 ARG A 504 7.245 -10.985 -9.629 1.00 0.00 N ATOM 1302 NH2 ARG A 504 7.854 -11.732 -7.521 1.00 0.00 N ATOM 0 H ARG A 504 5.949 -17.062 -14.292 1.00 0.00 H new ATOM 0 HA ARG A 504 7.569 -17.178 -11.826 1.00 0.00 H new ATOM 0 HB2 ARG A 504 6.221 -14.916 -12.618 1.00 0.00 H new ATOM 0 HB3 ARG A 504 4.970 -15.737 -11.705 1.00 0.00 H new ATOM 0 HG2 ARG A 504 6.135 -15.589 -9.689 1.00 0.00 H new ATOM 0 HG3 ARG A 504 7.707 -15.649 -10.462 1.00 0.00 H new ATOM 0 HD2 ARG A 504 7.499 -13.325 -11.220 1.00 0.00 H new ATOM 0 HD3 ARG A 504 5.831 -13.248 -10.688 1.00 0.00 H new ATOM 0 HE ARG A 504 7.420 -14.001 -8.423 1.00 0.00 H new ATOM 0 HH11 ARG A 504 6.936 -11.193 -10.578 1.00 0.00 H new ATOM 0 HH12 ARG A 504 7.399 -10.018 -9.343 1.00 0.00 H new ATOM 0 HH21 ARG A 504 8.010 -12.497 -6.864 1.00 0.00 H new ATOM 0 HH22 ARG A 504 8.010 -10.768 -7.227 1.00 0.00 H new ATOM 1315 N CYS A 505 5.923 -18.723 -10.741 1.00 0.00 N ATOM 1316 CA CYS A 505 5.087 -19.793 -10.223 1.00 0.00 C ATOM 1317 C CYS A 505 4.122 -19.196 -9.198 1.00 0.00 C ATOM 1318 O CYS A 505 4.551 -18.648 -8.182 1.00 0.00 O ATOM 1319 CB CYS A 505 5.925 -20.926 -9.629 1.00 0.00 C ATOM 1320 SG CYS A 505 5.151 -22.582 -9.720 1.00 0.00 S ATOM 0 H CYS A 505 6.726 -18.489 -10.158 1.00 0.00 H new ATOM 0 HA CYS A 505 4.517 -20.240 -11.037 1.00 0.00 H new ATOM 0 HB2 CYS A 505 6.884 -20.960 -10.146 1.00 0.00 H new ATOM 0 HB3 CYS A 505 6.134 -20.695 -8.585 1.00 0.00 H new ATOM 1325 N LEU A 506 2.839 -19.321 -9.498 1.00 0.00 N ATOM 1326 CA LEU A 506 1.809 -18.800 -8.613 1.00 0.00 C ATOM 1327 C LEU A 506 1.359 -19.906 -7.655 1.00 0.00 C ATOM 1328 O LEU A 506 1.074 -21.023 -8.082 1.00 0.00 O ATOM 1329 CB LEU A 506 0.666 -18.187 -9.424 1.00 0.00 C ATOM 1330 CG LEU A 506 0.644 -16.659 -9.502 1.00 0.00 C ATOM 1331 CD1 LEU A 506 1.935 -16.123 -10.122 1.00 0.00 C ATOM 1332 CD2 LEU A 506 -0.598 -16.167 -10.249 1.00 0.00 C ATOM 0 H LEU A 506 2.488 -19.775 -10.341 1.00 0.00 H new ATOM 0 HA LEU A 506 2.206 -17.990 -8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 506 0.714 -18.582 -10.439 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -0.278 -18.523 -8.995 1.00 0.00 H new ATOM 0 HG LEU A 506 0.587 -16.266 -8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 506 1.893 -15.035 -10.166 1.00 0.00 H new ATOM 0 HD12 LEU A 506 2.786 -16.429 -9.513 1.00 0.00 H new ATOM 0 HD13 LEU A 506 2.048 -16.522 -11.130 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -0.590 -15.078 -10.291 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -0.596 -16.569 -11.262 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -1.494 -16.503 -9.727 1.00 0.00 H new ATOM 1344 N ASP A 507 1.311 -19.555 -6.378 1.00 0.00 N ATOM 1345 CA ASP A 507 0.901 -20.503 -5.356 1.00 0.00 C ATOM 1346 C ASP A 507 -0.618 -20.435 -5.184 1.00 0.00 C ATOM 1347 O ASP A 507 -1.122 -19.644 -4.389 1.00 0.00 O ATOM 1348 CB ASP A 507 1.545 -20.173 -4.008 1.00 0.00 C ATOM 1349 CG ASP A 507 2.365 -21.305 -3.388 1.00 0.00 C ATOM 1350 OD1 ASP A 507 3.429 -21.072 -2.797 1.00 0.00 O ATOM 1351 OD2 ASP A 507 1.862 -22.484 -3.533 1.00 0.00 O ATOM 0 H ASP A 507 1.549 -18.627 -6.028 1.00 0.00 H new ATOM 0 HA ASP A 507 1.217 -21.497 -5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 507 2.191 -19.304 -4.134 1.00 0.00 H new ATOM 0 HB3 ASP A 507 0.760 -19.888 -3.308 1.00 0.00 H new ATOM 1357 N LYS A 508 -1.306 -21.278 -5.942 1.00 0.00 N ATOM 1358 CA LYS A 508 -2.756 -21.323 -5.883 1.00 0.00 C ATOM 1359 C LYS A 508 -3.188 -22.331 -4.816 1.00 0.00 C ATOM 1360 O LYS A 508 -2.385 -23.150 -4.369 1.00 0.00 O ATOM 1361 CB LYS A 508 -3.340 -21.609 -7.268 1.00 0.00 C ATOM 1362 CG LYS A 508 -3.580 -20.309 -8.040 1.00 0.00 C ATOM 1363 CD LYS A 508 -4.119 -20.596 -9.442 1.00 0.00 C ATOM 1364 CE LYS A 508 -3.015 -20.465 -10.493 1.00 0.00 C ATOM 1365 NZ LYS A 508 -3.598 -20.397 -11.851 1.00 0.00 N ATOM 0 H LYS A 508 -0.885 -21.934 -6.600 1.00 0.00 H new ATOM 0 HA LYS A 508 -3.155 -20.353 -5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -2.659 -22.249 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -4.278 -22.154 -7.166 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -4.288 -19.684 -7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -2.649 -19.748 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -4.539 -21.601 -9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 508 -4.929 -19.904 -9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -2.425 -19.570 -10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -2.337 -21.315 -10.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -3.381 -21.274 -12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -4.629 -20.283 -11.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -3.194 -19.586 -12.362 1.00 0.00 H new ATOM 1378 N ILE A 509 -4.454 -22.238 -4.437 1.00 0.00 N ATOM 1379 CA ILE A 509 -5.002 -23.131 -3.430 1.00 0.00 C ATOM 1380 C ILE A 509 -5.170 -24.528 -4.031 1.00 0.00 C ATOM 1381 O ILE A 509 -5.191 -25.521 -3.306 1.00 0.00 O ATOM 1382 CB ILE A 509 -6.291 -22.553 -2.845 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -7.221 -22.055 -3.954 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -5.987 -21.460 -1.819 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -8.685 -22.322 -3.603 1.00 0.00 C ATOM 0 H ILE A 509 -5.116 -21.558 -4.809 1.00 0.00 H new ATOM 0 HA ILE A 509 -4.314 -23.226 -2.590 1.00 0.00 H new ATOM 0 HB ILE A 509 -6.815 -23.351 -2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -7.069 -20.987 -4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -6.972 -22.551 -4.892 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -6.921 -21.066 -1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -5.392 -21.878 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -5.430 -20.655 -2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -9.324 -21.958 -4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -8.839 -23.393 -3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -8.937 -21.805 -2.677 1.00 0.00 H new ATOM 1397 N ASN A 510 -5.286 -24.559 -5.351 1.00 0.00 N ATOM 1398 CA ASN A 510 -5.453 -25.818 -6.057 1.00 0.00 C ATOM 1399 C ASN A 510 -4.076 -26.428 -6.335 1.00 0.00 C ATOM 1400 O ASN A 510 -3.839 -27.595 -6.029 1.00 0.00 O ATOM 1401 CB ASN A 510 -6.156 -25.607 -7.399 1.00 0.00 C ATOM 1402 CG ASN A 510 -7.639 -25.287 -7.197 1.00 0.00 C ATOM 1403 OD1 ASN A 510 -8.199 -25.468 -6.129 1.00 0.00 O ATOM 1404 ND2 ASN A 510 -8.239 -24.801 -8.281 1.00 0.00 N ATOM 0 H ASN A 510 -5.268 -23.733 -5.949 1.00 0.00 H new ATOM 0 HA ASN A 510 -6.056 -26.478 -5.433 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -5.675 -24.793 -7.941 1.00 0.00 H new ATOM 0 HB3 ASN A 510 -6.054 -26.503 -8.012 1.00 0.00 H new ATOM 0 HD21 ASN A 510 -9.228 -24.555 -8.249 1.00 0.00 H new ATOM 0 HD22 ASN A 510 -7.710 -24.675 -9.144 1.00 0.00 H new ATOM 1411 N GLU A 511 -3.208 -25.610 -6.911 1.00 0.00 N ATOM 1412 CA GLU A 511 -1.863 -26.055 -7.235 1.00 0.00 C ATOM 1413 C GLU A 511 -0.974 -24.856 -7.568 1.00 0.00 C ATOM 1414 O GLU A 511 -1.212 -23.749 -7.088 1.00 0.00 O ATOM 1415 CB GLU A 511 -1.880 -27.063 -8.384 1.00 0.00 C ATOM 1416 CG GLU A 511 -0.924 -28.227 -8.108 1.00 0.00 C ATOM 1417 CD GLU A 511 -1.045 -29.303 -9.188 1.00 0.00 C ATOM 1418 OE1 GLU A 511 -1.957 -29.242 -10.025 1.00 0.00 O ATOM 1419 OE2 GLU A 511 -0.147 -30.228 -9.139 1.00 0.00 O ATOM 0 H GLU A 511 -3.409 -24.642 -7.162 1.00 0.00 H new ATOM 0 HA GLU A 511 -1.448 -26.559 -6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 511 -2.892 -27.444 -8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 511 -1.596 -26.567 -9.312 1.00 0.00 H new ATOM 0 HG2 GLU A 511 0.101 -27.859 -8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 511 -1.144 -28.660 -7.132 1.00 0.00 H new ATOM 1427 N PHE A 512 0.032 -25.116 -8.392 1.00 0.00 N ATOM 1428 CA PHE A 512 0.957 -24.072 -8.796 1.00 0.00 C ATOM 1429 C PHE A 512 1.016 -23.952 -10.321 1.00 0.00 C ATOM 1430 O PHE A 512 0.936 -24.955 -11.029 1.00 0.00 O ATOM 1431 CB PHE A 512 2.339 -24.472 -8.274 1.00 0.00 C ATOM 1432 CG PHE A 512 2.874 -25.778 -8.865 1.00 0.00 C ATOM 1433 CD1 PHE A 512 2.546 -26.967 -8.294 1.00 0.00 C ATOM 1434 CD2 PHE A 512 3.677 -25.749 -9.963 1.00 0.00 C ATOM 1435 CE1 PHE A 512 3.041 -28.179 -8.843 1.00 0.00 C ATOM 1436 CE2 PHE A 512 4.174 -26.960 -10.511 1.00 0.00 C ATOM 1437 CZ PHE A 512 3.846 -28.151 -9.939 1.00 0.00 C ATOM 0 H PHE A 512 0.226 -26.035 -8.790 1.00 0.00 H new ATOM 0 HA PHE A 512 0.633 -23.112 -8.395 1.00 0.00 H new ATOM 0 HB2 PHE A 512 3.045 -23.670 -8.493 1.00 0.00 H new ATOM 0 HB3 PHE A 512 2.292 -24.568 -7.189 1.00 0.00 H new ATOM 0 HD1 PHE A 512 1.909 -26.990 -7.422 1.00 0.00 H new ATOM 0 HD2 PHE A 512 3.936 -24.804 -10.418 1.00 0.00 H new ATOM 0 HE1 PHE A 512 2.778 -29.124 -8.390 1.00 0.00 H new ATOM 0 HE2 PHE A 512 4.812 -26.937 -11.382 1.00 0.00 H new ATOM 0 HZ PHE A 512 4.225 -29.073 -10.355 1.00 0.00 H new ATOM 1447 N GLN A 513 1.157 -22.718 -10.779 1.00 0.00 N ATOM 1448 CA GLN A 513 1.228 -22.454 -12.207 1.00 0.00 C ATOM 1449 C GLN A 513 2.389 -21.508 -12.515 1.00 0.00 C ATOM 1450 O GLN A 513 2.527 -20.462 -11.882 1.00 0.00 O ATOM 1451 CB GLN A 513 -0.094 -21.887 -12.726 1.00 0.00 C ATOM 1452 CG GLN A 513 -0.791 -22.885 -13.654 1.00 0.00 C ATOM 1453 CD GLN A 513 -2.065 -23.437 -13.008 1.00 0.00 C ATOM 1454 OE1 GLN A 513 -2.876 -22.711 -12.457 1.00 0.00 O ATOM 1455 NE2 GLN A 513 -2.193 -24.756 -13.108 1.00 0.00 N ATOM 0 H GLN A 513 1.224 -21.889 -10.188 1.00 0.00 H new ATOM 0 HA GLN A 513 1.408 -23.397 -12.722 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -0.747 -21.649 -11.886 1.00 0.00 H new ATOM 0 HB3 GLN A 513 0.090 -20.955 -13.261 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -1.039 -22.398 -14.597 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -0.112 -23.705 -13.887 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -1.475 -25.303 -13.583 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -3.009 -25.221 -12.710 1.00 0.00 H new ATOM 1464 N CYS A 514 3.196 -21.907 -13.488 1.00 0.00 N ATOM 1465 CA CYS A 514 4.341 -21.105 -13.887 1.00 0.00 C ATOM 1466 C CYS A 514 3.894 -20.146 -14.991 1.00 0.00 C ATOM 1467 O CYS A 514 4.095 -20.418 -16.174 1.00 0.00 O ATOM 1468 CB CYS A 514 5.516 -21.980 -14.331 1.00 0.00 C ATOM 1469 SG CYS A 514 5.962 -23.316 -13.163 1.00 0.00 S ATOM 0 H CYS A 514 3.080 -22.775 -14.011 1.00 0.00 H new ATOM 0 HA CYS A 514 4.702 -20.531 -13.034 1.00 0.00 H new ATOM 0 HB2 CYS A 514 5.275 -22.426 -15.296 1.00 0.00 H new ATOM 0 HB3 CYS A 514 6.388 -21.343 -14.483 1.00 0.00 H new ATOM 1474 N GLU A 515 3.295 -19.043 -14.567 1.00 0.00 N ATOM 1475 CA GLU A 515 2.819 -18.041 -15.505 1.00 0.00 C ATOM 1476 C GLU A 515 3.947 -17.611 -16.443 1.00 0.00 C ATOM 1477 O GLU A 515 5.102 -17.993 -16.247 1.00 0.00 O ATOM 1478 CB GLU A 515 2.229 -16.837 -14.769 1.00 0.00 C ATOM 1479 CG GLU A 515 3.321 -16.057 -14.033 1.00 0.00 C ATOM 1480 CD GLU A 515 2.957 -14.574 -13.924 1.00 0.00 C ATOM 1481 OE1 GLU A 515 3.080 -13.832 -14.909 1.00 0.00 O ATOM 1482 OE2 GLU A 515 2.533 -14.200 -12.765 1.00 0.00 O ATOM 0 H GLU A 515 3.128 -18.821 -13.585 1.00 0.00 H new ATOM 0 HA GLU A 515 2.024 -18.484 -16.105 1.00 0.00 H new ATOM 0 HB2 GLU A 515 1.725 -16.182 -15.480 1.00 0.00 H new ATOM 0 HB3 GLU A 515 1.475 -17.174 -14.057 1.00 0.00 H new ATOM 0 HG2 GLU A 515 3.462 -16.475 -13.036 1.00 0.00 H new ATOM 0 HG3 GLU A 515 4.269 -16.165 -14.561 1.00 0.00 H new ATOM 1490 N CYS A 516 3.577 -16.824 -17.442 1.00 0.00 N ATOM 1491 CA CYS A 516 4.546 -16.339 -18.411 1.00 0.00 C ATOM 1492 C CYS A 516 4.974 -14.929 -17.997 1.00 0.00 C ATOM 1493 O CYS A 516 4.138 -14.105 -17.634 1.00 0.00 O ATOM 1494 CB CYS A 516 3.986 -16.370 -19.835 1.00 0.00 C ATOM 1495 SG CYS A 516 3.037 -14.883 -20.319 1.00 0.00 S ATOM 0 H CYS A 516 2.620 -16.510 -17.602 1.00 0.00 H new ATOM 0 HA CYS A 516 5.416 -16.995 -18.419 1.00 0.00 H new ATOM 0 HB2 CYS A 516 4.813 -16.499 -20.533 1.00 0.00 H new ATOM 0 HB3 CYS A 516 3.343 -17.244 -19.938 1.00 0.00 H new ATOM 0 HG CYS A 516 3.077 -14.010 -19.356 1.00 0.00 H new ATOM 1500 N PRO A 517 6.312 -14.691 -18.067 1.00 0.00 N ATOM 1501 CA PRO A 517 6.861 -13.397 -17.705 1.00 0.00 C ATOM 1502 C PRO A 517 6.584 -12.358 -18.794 1.00 0.00 C ATOM 1503 O PRO A 517 5.774 -12.594 -19.690 1.00 0.00 O ATOM 1504 CB PRO A 517 8.345 -13.645 -17.485 1.00 0.00 C ATOM 1505 CG PRO A 517 8.653 -14.961 -18.182 1.00 0.00 C ATOM 1506 CD PRO A 517 7.331 -15.645 -18.493 1.00 0.00 C ATOM 0 HA PRO A 517 6.402 -12.984 -16.807 1.00 0.00 H new ATOM 0 HB2 PRO A 517 8.943 -12.833 -17.900 1.00 0.00 H new ATOM 0 HB3 PRO A 517 8.579 -13.702 -16.422 1.00 0.00 H new ATOM 0 HG2 PRO A 517 9.216 -14.785 -19.098 1.00 0.00 H new ATOM 0 HG3 PRO A 517 9.270 -15.595 -17.545 1.00 0.00 H new ATOM 0 HD2 PRO A 517 7.242 -15.871 -19.556 1.00 0.00 H new ATOM 0 HD3 PRO A 517 7.238 -16.590 -17.957 1.00 0.00 H new