USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 406 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 58 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0.0119 USER MOD Set 2.1: A 48 MET CE :methyl 141:sc= -0.0172 (180deg=-0.85) USER MOD Set 2.2: A 55 TYR OH : rot 166:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 180:sc= -0.0505 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 157:sc= 1.08 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.998 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 17.584 -9.571 13.646 1.00 0.00 N ATOM 2 CA GLY A 19 16.701 -8.945 14.654 1.00 0.00 C ATOM 3 C GLY A 19 15.326 -9.595 14.666 1.00 0.00 C ATOM 4 O GLY A 19 15.220 -10.817 14.762 1.00 0.00 O ATOM 0 HA2 GLY A 19 17.155 -9.031 15.641 1.00 0.00 H new ATOM 0 HA3 GLY A 19 16.600 -7.881 14.441 1.00 0.00 H new ATOM 10 N ASP A 20 14.263 -8.791 14.571 1.00 0.00 N ATOM 11 CA ASP A 20 12.854 -9.218 14.630 1.00 0.00 C ATOM 12 C ASP A 20 11.945 -8.417 13.671 1.00 0.00 C ATOM 13 O ASP A 20 12.351 -7.385 13.125 1.00 0.00 O ATOM 14 CB ASP A 20 12.359 -9.126 16.086 1.00 0.00 C ATOM 15 CG ASP A 20 12.447 -7.702 16.665 1.00 0.00 C ATOM 16 OD1 ASP A 20 11.558 -6.871 16.369 1.00 0.00 O ATOM 17 OD2 ASP A 20 13.403 -7.412 17.426 1.00 0.00 O ATOM 0 H ASP A 20 14.360 -7.783 14.446 1.00 0.00 H new ATOM 0 HA ASP A 20 12.798 -10.252 14.291 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.325 -9.468 16.134 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.948 -9.801 16.707 1.00 0.00 H new ATOM 22 N LYS A 21 10.714 -8.909 13.451 1.00 0.00 N ATOM 23 CA LYS A 21 9.677 -8.317 12.585 1.00 0.00 C ATOM 24 C LYS A 21 8.306 -8.332 13.280 1.00 0.00 C ATOM 25 O LYS A 21 7.523 -9.267 13.117 1.00 0.00 O ATOM 26 CB LYS A 21 9.612 -9.027 11.213 1.00 0.00 C ATOM 27 CG LYS A 21 10.825 -8.822 10.286 1.00 0.00 C ATOM 28 CD LYS A 21 11.907 -9.907 10.424 1.00 0.00 C ATOM 29 CE LYS A 21 12.987 -9.700 9.355 1.00 0.00 C ATOM 30 NZ LYS A 21 14.040 -10.747 9.426 1.00 0.00 N ATOM 0 H LYS A 21 10.399 -9.772 13.893 1.00 0.00 H new ATOM 0 HA LYS A 21 9.953 -7.278 12.404 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.489 -10.096 11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.719 -8.683 10.691 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.480 -8.797 9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.271 -7.850 10.497 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.353 -9.865 11.418 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.460 -10.895 10.316 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.528 -9.713 8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.442 -8.718 9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.752 -10.574 8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.496 -10.718 10.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.610 -11.682 9.279 1.00 0.00 H new ATOM 44 N GLU A 22 8.010 -7.290 14.057 1.00 0.00 N ATOM 45 CA GLU A 22 6.708 -7.083 14.728 1.00 0.00 C ATOM 46 C GLU A 22 5.652 -6.376 13.842 1.00 0.00 C ATOM 47 O GLU A 22 4.535 -6.109 14.292 1.00 0.00 O ATOM 48 CB GLU A 22 6.916 -6.320 16.050 1.00 0.00 C ATOM 49 CG GLU A 22 7.728 -7.133 17.069 1.00 0.00 C ATOM 50 CD GLU A 22 7.710 -6.466 18.458 1.00 0.00 C ATOM 51 OE1 GLU A 22 8.355 -5.403 18.646 1.00 0.00 O ATOM 52 OE2 GLU A 22 7.049 -6.999 19.384 1.00 0.00 O ATOM 0 H GLU A 22 8.679 -6.544 14.248 1.00 0.00 H new ATOM 0 HA GLU A 22 6.301 -8.073 14.932 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.428 -5.379 15.848 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.946 -6.069 16.479 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.320 -8.141 17.142 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.757 -7.230 16.723 1.00 0.00 H new ATOM 59 N GLU A 23 5.980 -6.067 12.581 1.00 0.00 N ATOM 60 CA GLU A 23 5.086 -5.455 11.590 1.00 0.00 C ATOM 61 C GLU A 23 3.859 -6.327 11.247 1.00 0.00 C ATOM 62 O GLU A 23 3.835 -7.542 11.458 1.00 0.00 O ATOM 63 CB GLU A 23 5.886 -5.161 10.304 1.00 0.00 C ATOM 64 CG GLU A 23 6.966 -4.080 10.464 1.00 0.00 C ATOM 65 CD GLU A 23 6.356 -2.694 10.748 1.00 0.00 C ATOM 66 OE1 GLU A 23 5.779 -2.083 9.816 1.00 0.00 O ATOM 67 OE2 GLU A 23 6.444 -2.209 11.902 1.00 0.00 O ATOM 0 H GLU A 23 6.913 -6.244 12.208 1.00 0.00 H new ATOM 0 HA GLU A 23 4.700 -4.537 12.032 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.359 -6.083 9.966 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.193 -4.852 9.522 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.637 -4.355 11.278 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.569 -4.032 9.557 1.00 0.00 H new ATOM 74 N CYS A 24 2.839 -5.686 10.672 1.00 0.00 N ATOM 75 CA CYS A 24 1.568 -6.301 10.275 1.00 0.00 C ATOM 76 C CYS A 24 1.744 -7.385 9.186 1.00 0.00 C ATOM 77 O CYS A 24 2.232 -7.102 8.087 1.00 0.00 O ATOM 78 CB CYS A 24 0.608 -5.201 9.800 1.00 0.00 C ATOM 79 SG CYS A 24 -1.091 -5.787 9.571 1.00 0.00 S ATOM 0 H CYS A 24 2.876 -4.689 10.462 1.00 0.00 H new ATOM 0 HA CYS A 24 1.152 -6.810 11.145 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.610 -4.388 10.526 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.974 -4.790 8.859 1.00 0.00 H new ATOM 84 N THR A 25 1.345 -8.627 9.484 1.00 0.00 N ATOM 85 CA THR A 25 1.316 -9.767 8.547 1.00 0.00 C ATOM 86 C THR A 25 0.245 -9.573 7.460 1.00 0.00 C ATOM 87 O THR A 25 -0.758 -8.886 7.673 1.00 0.00 O ATOM 88 CB THR A 25 1.050 -11.082 9.312 1.00 0.00 C ATOM 89 OG1 THR A 25 1.810 -11.133 10.506 1.00 0.00 O ATOM 90 CG2 THR A 25 1.418 -12.339 8.519 1.00 0.00 C ATOM 0 H THR A 25 1.021 -8.880 10.417 1.00 0.00 H new ATOM 0 HA THR A 25 2.290 -9.821 8.061 1.00 0.00 H new ATOM 0 HB THR A 25 -0.023 -11.076 9.504 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.625 -11.973 10.976 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.204 -13.223 9.119 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.833 -12.374 7.600 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.479 -12.316 8.272 1.00 0.00 H new ATOM 98 N VAL A 26 0.433 -10.202 6.296 1.00 0.00 N ATOM 99 CA VAL A 26 -0.394 -10.032 5.083 1.00 0.00 C ATOM 100 C VAL A 26 -1.211 -11.313 4.791 1.00 0.00 C ATOM 101 O VAL A 26 -0.655 -12.413 4.889 1.00 0.00 O ATOM 102 CB VAL A 26 0.495 -9.670 3.873 1.00 0.00 C ATOM 103 CG1 VAL A 26 -0.317 -9.129 2.696 1.00 0.00 C ATOM 104 CG2 VAL A 26 1.553 -8.600 4.190 1.00 0.00 C ATOM 0 H VAL A 26 1.192 -10.870 6.161 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.094 -9.215 5.258 1.00 0.00 H new ATOM 0 HB VAL A 26 0.979 -10.613 3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.354 -8.889 1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.035 -9.882 2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.849 -8.229 3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.142 -8.394 3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.059 -7.685 4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.210 -8.961 4.982 1.00 0.00 H new ATOM 114 N PRO A 27 -2.513 -11.218 4.445 1.00 0.00 N ATOM 115 CA PRO A 27 -3.397 -12.364 4.194 1.00 0.00 C ATOM 116 C PRO A 27 -3.183 -13.016 2.814 1.00 0.00 C ATOM 117 O PRO A 27 -2.585 -12.430 1.911 1.00 0.00 O ATOM 118 CB PRO A 27 -4.815 -11.786 4.301 1.00 0.00 C ATOM 119 CG PRO A 27 -4.634 -10.363 3.778 1.00 0.00 C ATOM 120 CD PRO A 27 -3.269 -9.981 4.346 1.00 0.00 C ATOM 0 HA PRO A 27 -3.197 -13.163 4.908 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.529 -12.351 3.702 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.181 -11.797 5.328 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.647 -10.325 2.689 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.422 -9.697 4.129 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.763 -9.266 3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.372 -9.508 5.323 1.00 0.00 H new ATOM 128 N ILE A 28 -3.729 -14.224 2.631 1.00 0.00 N ATOM 129 CA ILE A 28 -3.690 -14.994 1.371 1.00 0.00 C ATOM 130 C ILE A 28 -4.349 -14.195 0.224 1.00 0.00 C ATOM 131 O ILE A 28 -5.382 -13.549 0.420 1.00 0.00 O ATOM 132 CB ILE A 28 -4.362 -16.382 1.560 1.00 0.00 C ATOM 133 CG1 ILE A 28 -3.722 -17.165 2.736 1.00 0.00 C ATOM 134 CG2 ILE A 28 -4.270 -17.218 0.265 1.00 0.00 C ATOM 135 CD1 ILE A 28 -4.420 -18.489 3.080 1.00 0.00 C ATOM 0 H ILE A 28 -4.227 -14.712 3.375 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.649 -15.164 1.098 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.412 -16.205 1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.680 -17.372 2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.722 -16.529 3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.747 -18.185 0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.775 -16.691 -0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.223 -17.368 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.904 -18.967 3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.455 -18.293 3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.397 -19.149 2.213 1.00 0.00 H new ATOM 147 N GLY A 29 -3.767 -14.254 -0.980 1.00 0.00 N ATOM 148 CA GLY A 29 -4.277 -13.568 -2.179 1.00 0.00 C ATOM 149 C GLY A 29 -3.849 -12.097 -2.306 1.00 0.00 C ATOM 150 O GLY A 29 -4.558 -11.301 -2.925 1.00 0.00 O ATOM 0 H GLY A 29 -2.915 -14.787 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.938 -14.109 -3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.366 -13.617 -2.174 1.00 0.00 H new ATOM 154 N TRP A 30 -2.722 -11.724 -1.691 1.00 0.00 N ATOM 155 CA TRP A 30 -2.156 -10.369 -1.660 1.00 0.00 C ATOM 156 C TRP A 30 -1.738 -9.793 -3.027 1.00 0.00 C ATOM 157 O TRP A 30 -1.725 -10.476 -4.057 1.00 0.00 O ATOM 158 CB TRP A 30 -0.971 -10.365 -0.679 1.00 0.00 C ATOM 159 CG TRP A 30 0.164 -11.318 -0.940 1.00 0.00 C ATOM 160 CD1 TRP A 30 0.833 -11.496 -2.103 1.00 0.00 C ATOM 161 CD2 TRP A 30 0.793 -12.224 0.013 1.00 0.00 C ATOM 162 NE1 TRP A 30 1.804 -12.469 -1.939 1.00 0.00 N ATOM 163 CE2 TRP A 30 1.822 -12.953 -0.649 1.00 0.00 C ATOM 164 CE3 TRP A 30 0.592 -12.493 1.379 1.00 0.00 C ATOM 165 CZ2 TRP A 30 2.601 -13.917 0.010 1.00 0.00 C ATOM 166 CZ3 TRP A 30 1.364 -13.457 2.057 1.00 0.00 C ATOM 167 CH2 TRP A 30 2.366 -14.171 1.374 1.00 0.00 C ATOM 0 H TRP A 30 -2.150 -12.392 -1.175 1.00 0.00 H new ATOM 0 HA TRP A 30 -2.955 -9.704 -1.331 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -0.561 -9.355 -0.655 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.361 -10.575 0.317 1.00 0.00 H new ATOM 0 HD1 TRP A 30 0.639 -10.960 -3.020 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.428 -12.788 -2.680 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.169 -11.950 1.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.370 -14.456 -0.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.186 -13.649 3.105 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.953 -14.912 1.895 1.00 0.00 H new ATOM 178 N SER A 31 -1.319 -8.525 -2.990 1.00 0.00 N ATOM 179 CA SER A 31 -0.824 -7.714 -4.115 1.00 0.00 C ATOM 180 C SER A 31 0.376 -6.859 -3.674 1.00 0.00 C ATOM 181 O SER A 31 0.306 -5.631 -3.592 1.00 0.00 O ATOM 182 CB SER A 31 -1.946 -6.834 -4.688 1.00 0.00 C ATOM 183 OG SER A 31 -3.008 -7.620 -5.214 1.00 0.00 O ATOM 0 H SER A 31 -1.315 -7.999 -2.116 1.00 0.00 H new ATOM 0 HA SER A 31 -0.491 -8.387 -4.905 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.330 -6.178 -3.907 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.543 -6.194 -5.473 1.00 0.00 H new ATOM 0 HG SER A 31 -3.706 -7.031 -5.569 1.00 0.00 H new ATOM 189 N GLU A 32 1.486 -7.522 -3.338 1.00 0.00 N ATOM 190 CA GLU A 32 2.756 -6.884 -2.950 1.00 0.00 C ATOM 191 C GLU A 32 3.390 -6.025 -4.079 1.00 0.00 C ATOM 192 O GLU A 32 3.108 -6.251 -5.262 1.00 0.00 O ATOM 193 CB GLU A 32 3.724 -7.949 -2.387 1.00 0.00 C ATOM 194 CG GLU A 32 3.842 -9.283 -3.148 1.00 0.00 C ATOM 195 CD GLU A 32 4.428 -9.152 -4.567 1.00 0.00 C ATOM 196 OE1 GLU A 32 5.556 -8.621 -4.715 1.00 0.00 O ATOM 197 OE2 GLU A 32 3.790 -9.640 -5.531 1.00 0.00 O ATOM 0 H GLU A 32 1.532 -8.541 -3.327 1.00 0.00 H new ATOM 0 HA GLU A 32 2.538 -6.165 -2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.718 -7.504 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.419 -8.172 -1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.467 -9.964 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.854 -9.738 -3.216 1.00 0.00 H new ATOM 204 N PRO A 33 4.233 -5.023 -3.747 1.00 0.00 N ATOM 205 CA PRO A 33 4.795 -4.076 -4.717 1.00 0.00 C ATOM 206 C PRO A 33 5.910 -4.687 -5.588 1.00 0.00 C ATOM 207 O PRO A 33 7.083 -4.693 -5.211 1.00 0.00 O ATOM 208 CB PRO A 33 5.294 -2.890 -3.878 1.00 0.00 C ATOM 209 CG PRO A 33 5.672 -3.543 -2.549 1.00 0.00 C ATOM 210 CD PRO A 33 4.582 -4.600 -2.392 1.00 0.00 C ATOM 0 HA PRO A 33 4.042 -3.771 -5.444 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.148 -2.398 -4.343 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.521 -2.133 -3.750 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.668 -3.986 -2.581 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.667 -2.827 -1.727 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.938 -5.443 -1.800 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.714 -4.191 -1.875 1.00 0.00 H new ATOM 218 N VAL A 34 5.567 -5.142 -6.800 1.00 0.00 N ATOM 219 CA VAL A 34 6.523 -5.702 -7.783 1.00 0.00 C ATOM 220 C VAL A 34 7.596 -4.671 -8.167 1.00 0.00 C ATOM 221 O VAL A 34 8.791 -4.973 -8.188 1.00 0.00 O ATOM 222 CB VAL A 34 5.793 -6.226 -9.040 1.00 0.00 C ATOM 223 CG1 VAL A 34 6.759 -6.915 -10.014 1.00 0.00 C ATOM 224 CG2 VAL A 34 4.699 -7.242 -8.686 1.00 0.00 C ATOM 0 H VAL A 34 4.604 -5.134 -7.137 1.00 0.00 H new ATOM 0 HA VAL A 34 7.022 -6.546 -7.308 1.00 0.00 H new ATOM 0 HB VAL A 34 5.350 -5.346 -9.507 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.207 -7.269 -10.884 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.522 -6.205 -10.333 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.235 -7.761 -9.517 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.211 -7.584 -9.599 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.145 -8.093 -8.172 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.962 -6.771 -8.036 1.00 0.00 H new ATOM 234 N LYS A 35 7.171 -3.423 -8.407 1.00 0.00 N ATOM 235 CA LYS A 35 8.022 -2.245 -8.667 1.00 0.00 C ATOM 236 C LYS A 35 8.698 -1.647 -7.423 1.00 0.00 C ATOM 237 O LYS A 35 9.409 -0.652 -7.546 1.00 0.00 O ATOM 238 CB LYS A 35 7.198 -1.182 -9.420 1.00 0.00 C ATOM 239 CG LYS A 35 7.122 -1.516 -10.919 1.00 0.00 C ATOM 240 CD LYS A 35 6.559 -0.350 -11.745 1.00 0.00 C ATOM 241 CE LYS A 35 6.699 -0.666 -13.240 1.00 0.00 C ATOM 242 NZ LYS A 35 6.267 0.474 -14.092 1.00 0.00 N ATOM 0 H LYS A 35 6.178 -3.192 -8.427 1.00 0.00 H new ATOM 0 HA LYS A 35 8.852 -2.592 -9.282 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.193 -1.131 -9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.650 -0.200 -9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.117 -1.770 -11.284 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.495 -2.396 -11.062 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.511 -0.185 -11.494 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.092 0.570 -11.506 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.737 -0.913 -13.463 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.103 -1.546 -13.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.377 0.220 -15.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.269 0.693 -13.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.852 1.307 -13.880 1.00 0.00 H new ATOM 256 N GLY A 36 8.545 -2.247 -6.240 1.00 0.00 N ATOM 257 CA GLY A 36 9.160 -1.786 -4.985 1.00 0.00 C ATOM 258 C GLY A 36 10.701 -1.773 -4.966 1.00 0.00 C ATOM 259 O GLY A 36 11.299 -1.181 -4.068 1.00 0.00 O ATOM 0 H GLY A 36 7.978 -3.086 -6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.803 -0.778 -4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.810 -2.424 -4.173 1.00 0.00 H new ATOM 263 N LEU A 37 11.352 -2.385 -5.965 1.00 0.00 N ATOM 264 CA LEU A 37 12.789 -2.257 -6.254 1.00 0.00 C ATOM 265 C LEU A 37 13.194 -0.839 -6.714 1.00 0.00 C ATOM 266 O LEU A 37 14.342 -0.431 -6.522 1.00 0.00 O ATOM 267 CB LEU A 37 13.163 -3.279 -7.348 1.00 0.00 C ATOM 268 CG LEU A 37 13.056 -4.756 -6.920 1.00 0.00 C ATOM 269 CD1 LEU A 37 13.151 -5.660 -8.150 1.00 0.00 C ATOM 270 CD2 LEU A 37 14.174 -5.152 -5.953 1.00 0.00 C ATOM 0 H LEU A 37 10.875 -3.006 -6.619 1.00 0.00 H new ATOM 0 HA LEU A 37 13.329 -2.450 -5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.517 -3.118 -8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.185 -3.083 -7.674 1.00 0.00 H new ATOM 0 HG LEU A 37 12.096 -4.877 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.075 -6.703 -7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.339 -5.425 -8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.107 -5.498 -8.648 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.061 -6.200 -5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.141 -5.006 -6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.117 -4.533 -5.058 1.00 0.00 H new ATOM 282 N CYS A 38 12.271 -0.089 -7.326 1.00 0.00 N ATOM 283 CA CYS A 38 12.468 1.287 -7.789 1.00 0.00 C ATOM 284 C CYS A 38 12.422 2.305 -6.624 1.00 0.00 C ATOM 285 O CYS A 38 11.945 2.001 -5.526 1.00 0.00 O ATOM 286 CB CYS A 38 11.389 1.575 -8.849 1.00 0.00 C ATOM 287 SG CYS A 38 11.799 3.043 -9.841 1.00 0.00 S ATOM 0 H CYS A 38 11.332 -0.437 -7.519 1.00 0.00 H new ATOM 0 HA CYS A 38 13.461 1.395 -8.226 1.00 0.00 H new ATOM 0 HB2 CYS A 38 11.282 0.711 -9.504 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.427 1.724 -8.359 1.00 0.00 H new ATOM 0 HG CYS A 38 10.865 3.246 -10.722 1.00 0.00 H new ATOM 293 N LYS A 39 12.880 3.539 -6.876 1.00 0.00 N ATOM 294 CA LYS A 39 12.957 4.654 -5.913 1.00 0.00 C ATOM 295 C LYS A 39 12.079 5.828 -6.367 1.00 0.00 C ATOM 296 O LYS A 39 12.572 6.869 -6.810 1.00 0.00 O ATOM 297 CB LYS A 39 14.433 5.050 -5.680 1.00 0.00 C ATOM 298 CG LYS A 39 15.324 3.928 -5.115 1.00 0.00 C ATOM 299 CD LYS A 39 14.923 3.486 -3.698 1.00 0.00 C ATOM 300 CE LYS A 39 15.810 2.356 -3.158 1.00 0.00 C ATOM 301 NZ LYS A 39 17.207 2.797 -2.900 1.00 0.00 N ATOM 0 H LYS A 39 13.224 3.803 -7.799 1.00 0.00 H new ATOM 0 HA LYS A 39 12.558 4.334 -4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.857 5.389 -6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.463 5.897 -4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.279 3.067 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.360 4.268 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.981 4.341 -3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.884 3.156 -3.705 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.378 1.971 -2.234 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.819 1.533 -3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.762 1.996 -2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 17.632 3.140 -3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.205 3.564 -2.197 1.00 0.00 H new ATOM 315 N ALA A 40 10.763 5.635 -6.285 1.00 0.00 N ATOM 316 CA ALA A 40 9.755 6.650 -6.605 1.00 0.00 C ATOM 317 C ALA A 40 9.823 7.879 -5.670 1.00 0.00 C ATOM 318 O ALA A 40 10.316 7.805 -4.541 1.00 0.00 O ATOM 319 CB ALA A 40 8.370 5.984 -6.555 1.00 0.00 C ATOM 0 H ALA A 40 10.357 4.748 -5.987 1.00 0.00 H new ATOM 0 HA ALA A 40 9.953 7.036 -7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.603 6.722 -6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.329 5.174 -7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.195 5.584 -5.556 1.00 0.00 H new ATOM 325 N ARG A 41 9.274 9.010 -6.133 1.00 0.00 N ATOM 326 CA ARG A 41 9.264 10.322 -5.443 1.00 0.00 C ATOM 327 C ARG A 41 7.989 10.607 -4.627 1.00 0.00 C ATOM 328 O ARG A 41 7.785 11.729 -4.162 1.00 0.00 O ATOM 329 CB ARG A 41 9.598 11.426 -6.468 1.00 0.00 C ATOM 330 CG ARG A 41 8.473 11.706 -7.484 1.00 0.00 C ATOM 331 CD ARG A 41 8.969 12.535 -8.678 1.00 0.00 C ATOM 332 NE ARG A 41 9.802 11.729 -9.598 1.00 0.00 N ATOM 333 CZ ARG A 41 9.392 10.927 -10.566 1.00 0.00 C ATOM 334 NH1 ARG A 41 8.129 10.773 -10.854 1.00 0.00 N ATOM 335 NH2 ARG A 41 10.251 10.248 -11.270 1.00 0.00 N ATOM 0 H ARG A 41 8.803 9.045 -7.037 1.00 0.00 H new ATOM 0 HA ARG A 41 10.038 10.302 -4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.826 12.347 -5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.500 11.142 -7.010 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.065 10.761 -7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.660 12.236 -6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.114 12.938 -9.221 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.546 13.385 -8.315 1.00 0.00 H new ATOM 0 HE ARG A 41 10.811 11.801 -9.470 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.420 11.280 -10.325 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.851 10.145 -11.608 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.249 10.332 -11.077 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.926 9.632 -12.015 1.00 0.00 H new ATOM 349 N PHE A 42 7.130 9.599 -4.464 1.00 0.00 N ATOM 350 CA PHE A 42 5.818 9.643 -3.816 1.00 0.00 C ATOM 351 C PHE A 42 5.642 8.422 -2.898 1.00 0.00 C ATOM 352 O PHE A 42 5.679 7.274 -3.343 1.00 0.00 O ATOM 353 CB PHE A 42 4.709 9.741 -4.884 1.00 0.00 C ATOM 354 CG PHE A 42 4.747 8.695 -5.994 1.00 0.00 C ATOM 355 CD1 PHE A 42 4.063 7.472 -5.855 1.00 0.00 C ATOM 356 CD2 PHE A 42 5.472 8.946 -7.175 1.00 0.00 C ATOM 357 CE1 PHE A 42 4.133 6.497 -6.866 1.00 0.00 C ATOM 358 CE2 PHE A 42 5.535 7.978 -8.193 1.00 0.00 C ATOM 359 CZ PHE A 42 4.873 6.749 -8.034 1.00 0.00 C ATOM 0 H PHE A 42 7.349 8.663 -4.806 1.00 0.00 H new ATOM 0 HA PHE A 42 5.745 10.531 -3.188 1.00 0.00 H new ATOM 0 HB2 PHE A 42 3.744 9.673 -4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.761 10.729 -5.342 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.481 7.281 -4.966 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.983 9.889 -7.300 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.618 5.555 -6.745 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.092 8.179 -9.096 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.933 5.999 -8.809 1.00 0.00 H new ATOM 369 N THR A 43 5.472 8.659 -1.597 1.00 0.00 N ATOM 370 CA THR A 43 5.069 7.609 -0.638 1.00 0.00 C ATOM 371 C THR A 43 3.596 7.242 -0.836 1.00 0.00 C ATOM 372 O THR A 43 2.762 8.126 -1.057 1.00 0.00 O ATOM 373 CB THR A 43 5.269 8.014 0.838 1.00 0.00 C ATOM 374 OG1 THR A 43 6.325 8.942 1.013 1.00 0.00 O ATOM 375 CG2 THR A 43 5.644 6.782 1.655 1.00 0.00 C ATOM 0 H THR A 43 5.607 9.576 -1.172 1.00 0.00 H new ATOM 0 HA THR A 43 5.719 6.759 -0.845 1.00 0.00 H new ATOM 0 HB THR A 43 4.331 8.466 1.161 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.409 9.167 1.963 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.786 7.066 2.698 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.846 6.043 1.586 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.569 6.355 1.266 1.00 0.00 H new ATOM 383 N ARG A 44 3.258 5.949 -0.754 1.00 0.00 N ATOM 384 CA ARG A 44 1.906 5.423 -0.978 1.00 0.00 C ATOM 385 C ARG A 44 1.565 4.272 -0.020 1.00 0.00 C ATOM 386 O ARG A 44 2.458 3.581 0.479 1.00 0.00 O ATOM 387 CB ARG A 44 1.830 4.998 -2.453 1.00 0.00 C ATOM 388 CG ARG A 44 0.601 5.523 -3.189 1.00 0.00 C ATOM 389 CD ARG A 44 0.611 7.043 -3.384 1.00 0.00 C ATOM 390 NE ARG A 44 -0.216 7.401 -4.550 1.00 0.00 N ATOM 391 CZ ARG A 44 -0.201 8.531 -5.232 1.00 0.00 C ATOM 392 NH1 ARG A 44 0.497 9.561 -4.848 1.00 0.00 N ATOM 393 NH2 ARG A 44 -0.902 8.649 -6.323 1.00 0.00 N ATOM 0 H ARG A 44 3.935 5.221 -0.524 1.00 0.00 H new ATOM 0 HA ARG A 44 1.160 6.190 -0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.725 5.347 -2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.835 3.909 -2.507 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.537 5.040 -4.164 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.294 5.241 -2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.229 7.536 -2.490 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.633 7.394 -3.530 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.878 6.692 -4.867 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.055 9.510 -3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.486 10.419 -5.399 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.466 7.866 -6.654 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.887 9.524 -6.847 1.00 0.00 H new ATOM 407 N TYR A 45 0.269 4.083 0.240 1.00 0.00 N ATOM 408 CA TYR A 45 -0.256 3.280 1.356 1.00 0.00 C ATOM 409 C TYR A 45 -1.487 2.462 0.919 1.00 0.00 C ATOM 410 O TYR A 45 -2.411 3.010 0.311 1.00 0.00 O ATOM 411 CB TYR A 45 -0.609 4.214 2.533 1.00 0.00 C ATOM 412 CG TYR A 45 0.394 5.322 2.842 1.00 0.00 C ATOM 413 CD1 TYR A 45 1.680 5.012 3.329 1.00 0.00 C ATOM 414 CD2 TYR A 45 0.047 6.673 2.631 1.00 0.00 C ATOM 415 CE1 TYR A 45 2.602 6.038 3.614 1.00 0.00 C ATOM 416 CE2 TYR A 45 0.964 7.703 2.912 1.00 0.00 C ATOM 417 CZ TYR A 45 2.246 7.388 3.411 1.00 0.00 C ATOM 418 OH TYR A 45 3.137 8.374 3.698 1.00 0.00 O ATOM 0 H TYR A 45 -0.467 4.494 -0.334 1.00 0.00 H new ATOM 0 HA TYR A 45 0.509 2.572 1.675 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.575 4.675 2.326 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.732 3.605 3.428 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.960 3.981 3.485 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.933 6.920 2.250 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.584 5.791 3.989 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.687 8.734 2.746 1.00 0.00 H new ATOM 0 HH TYR A 45 2.735 9.246 3.501 1.00 0.00 H new ATOM 428 N TYR A 46 -1.510 1.156 1.218 1.00 0.00 N ATOM 429 CA TYR A 46 -2.490 0.195 0.675 1.00 0.00 C ATOM 430 C TYR A 46 -2.937 -0.827 1.730 1.00 0.00 C ATOM 431 O TYR A 46 -2.092 -1.475 2.347 1.00 0.00 O ATOM 432 CB TYR A 46 -1.870 -0.562 -0.510 1.00 0.00 C ATOM 433 CG TYR A 46 -1.281 0.302 -1.610 1.00 0.00 C ATOM 434 CD1 TYR A 46 0.062 0.724 -1.536 1.00 0.00 C ATOM 435 CD2 TYR A 46 -2.063 0.646 -2.728 1.00 0.00 C ATOM 436 CE1 TYR A 46 0.631 1.457 -2.590 1.00 0.00 C ATOM 437 CE2 TYR A 46 -1.513 1.433 -3.759 1.00 0.00 C ATOM 438 CZ TYR A 46 -0.168 1.852 -3.680 1.00 0.00 C ATOM 439 OH TYR A 46 0.378 2.609 -4.663 1.00 0.00 O ATOM 0 H TYR A 46 -0.838 0.727 1.854 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.363 0.765 0.356 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.086 -1.216 -0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.635 -1.203 -0.948 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.655 0.483 -0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.086 0.306 -2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.679 1.717 -2.565 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.119 1.715 -4.607 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.141 2.499 -5.487 1.00 0.00 H new ATOM 449 N CYS A 47 -4.249 -0.980 1.957 1.00 0.00 N ATOM 450 CA CYS A 47 -4.762 -1.931 2.953 1.00 0.00 C ATOM 451 C CYS A 47 -4.682 -3.387 2.465 1.00 0.00 C ATOM 452 O CYS A 47 -5.304 -3.743 1.461 1.00 0.00 O ATOM 453 CB CYS A 47 -6.186 -1.585 3.413 1.00 0.00 C ATOM 454 SG CYS A 47 -6.658 -2.548 4.885 1.00 0.00 S ATOM 0 H CYS A 47 -4.974 -0.458 1.465 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.107 -1.838 3.819 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.250 -0.520 3.637 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.890 -1.784 2.605 1.00 0.00 H new ATOM 459 N MET A 48 -3.945 -4.233 3.193 1.00 0.00 N ATOM 460 CA MET A 48 -3.879 -5.683 2.998 1.00 0.00 C ATOM 461 C MET A 48 -3.959 -6.414 4.351 1.00 0.00 C ATOM 462 O MET A 48 -2.940 -6.725 4.968 1.00 0.00 O ATOM 463 CB MET A 48 -2.622 -6.081 2.204 1.00 0.00 C ATOM 464 CG MET A 48 -2.589 -5.535 0.771 1.00 0.00 C ATOM 465 SD MET A 48 -1.671 -6.565 -0.412 1.00 0.00 S ATOM 466 CE MET A 48 0.036 -6.416 0.181 1.00 0.00 C ATOM 0 H MET A 48 -3.357 -3.913 3.962 1.00 0.00 H new ATOM 0 HA MET A 48 -4.740 -5.990 2.405 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.740 -5.726 2.737 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.556 -7.168 2.169 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.613 -5.422 0.416 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.146 -4.539 0.786 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.538 -7.379 0.091 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.565 -5.674 -0.416 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.032 -6.105 1.226 1.00 0.00 H new ATOM 476 N GLY A 49 -5.185 -6.687 4.813 1.00 0.00 N ATOM 477 CA GLY A 49 -5.469 -7.424 6.053 1.00 0.00 C ATOM 478 C GLY A 49 -5.561 -6.527 7.287 1.00 0.00 C ATOM 479 O GLY A 49 -4.716 -6.600 8.178 1.00 0.00 O ATOM 0 H GLY A 49 -6.030 -6.394 4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.407 -7.967 5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.688 -8.168 6.211 1.00 0.00 H new ATOM 483 N ASN A 50 -6.601 -5.689 7.346 1.00 0.00 N ATOM 484 CA ASN A 50 -6.972 -4.788 8.451 1.00 0.00 C ATOM 485 C ASN A 50 -5.982 -3.631 8.735 1.00 0.00 C ATOM 486 O ASN A 50 -6.257 -2.783 9.584 1.00 0.00 O ATOM 487 CB ASN A 50 -7.286 -5.606 9.723 1.00 0.00 C ATOM 488 CG ASN A 50 -8.163 -6.833 9.502 1.00 0.00 C ATOM 489 OD1 ASN A 50 -9.065 -6.861 8.678 1.00 0.00 O ATOM 490 ND2 ASN A 50 -7.927 -7.899 10.234 1.00 0.00 N ATOM 0 H ASN A 50 -7.256 -5.614 6.567 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.872 -4.272 8.115 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.346 -5.927 10.171 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.777 -4.953 10.444 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.494 -8.738 10.111 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.177 -7.887 10.925 1.00 0.00 H new ATOM 497 N CYS A 51 -4.860 -3.560 8.016 1.00 0.00 N ATOM 498 CA CYS A 51 -3.797 -2.561 8.145 1.00 0.00 C ATOM 499 C CYS A 51 -3.326 -2.096 6.755 1.00 0.00 C ATOM 500 O CYS A 51 -3.357 -2.878 5.800 1.00 0.00 O ATOM 501 CB CYS A 51 -2.643 -3.201 8.939 1.00 0.00 C ATOM 502 SG CYS A 51 -1.853 -4.607 8.098 1.00 0.00 S ATOM 0 H CYS A 51 -4.657 -4.240 7.283 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.162 -1.679 8.672 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.888 -2.440 9.139 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.022 -3.535 9.905 1.00 0.00 H new ATOM 507 N CYS A 52 -2.843 -0.853 6.642 1.00 0.00 N ATOM 508 CA CYS A 52 -2.227 -0.324 5.421 1.00 0.00 C ATOM 509 C CYS A 52 -0.763 0.094 5.628 1.00 0.00 C ATOM 510 O CYS A 52 -0.463 1.216 6.046 1.00 0.00 O ATOM 511 CB CYS A 52 -3.096 0.746 4.737 1.00 0.00 C ATOM 512 SG CYS A 52 -3.838 2.103 5.672 1.00 0.00 S ATOM 0 H CYS A 52 -2.870 -0.178 7.406 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.183 -1.149 4.710 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.485 1.197 3.955 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.912 0.221 4.240 1.00 0.00 H new ATOM 517 N LYS A 53 0.155 -0.835 5.327 1.00 0.00 N ATOM 518 CA LYS A 53 1.605 -0.588 5.260 1.00 0.00 C ATOM 519 C LYS A 53 1.998 0.327 4.095 1.00 0.00 C ATOM 520 O LYS A 53 1.217 0.591 3.174 1.00 0.00 O ATOM 521 CB LYS A 53 2.371 -1.930 5.200 1.00 0.00 C ATOM 522 CG LYS A 53 2.911 -2.284 6.594 1.00 0.00 C ATOM 523 CD LYS A 53 3.565 -3.671 6.679 1.00 0.00 C ATOM 524 CE LYS A 53 4.825 -3.757 5.805 1.00 0.00 C ATOM 525 NZ LYS A 53 5.579 -5.017 6.046 1.00 0.00 N ATOM 0 H LYS A 53 -0.094 -1.802 5.118 1.00 0.00 H new ATOM 0 HA LYS A 53 1.886 -0.058 6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.710 -2.721 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.194 -1.858 4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.641 -1.531 6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.092 -2.235 7.312 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.825 -3.888 7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.850 -4.431 6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.543 -3.697 4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.470 -2.902 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.423 -5.038 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.870 -5.062 7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.972 -5.832 5.825 1.00 0.00 H new ATOM 539 N VAL A 54 3.244 0.791 4.158 1.00 0.00 N ATOM 540 CA VAL A 54 3.910 1.604 3.131 1.00 0.00 C ATOM 541 C VAL A 54 4.642 0.735 2.110 1.00 0.00 C ATOM 542 O VAL A 54 5.430 -0.141 2.469 1.00 0.00 O ATOM 543 CB VAL A 54 4.833 2.659 3.777 1.00 0.00 C ATOM 544 CG1 VAL A 54 5.923 2.089 4.692 1.00 0.00 C ATOM 545 CG2 VAL A 54 5.507 3.527 2.714 1.00 0.00 C ATOM 0 H VAL A 54 3.847 0.605 4.959 1.00 0.00 H new ATOM 0 HA VAL A 54 3.142 2.144 2.578 1.00 0.00 H new ATOM 0 HB VAL A 54 4.163 3.249 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.520 2.905 5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.460 1.536 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.565 1.420 4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.151 4.261 3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.106 2.897 2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.746 4.043 2.129 1.00 0.00 H new ATOM 555 N TYR A 55 4.371 0.997 0.830 1.00 0.00 N ATOM 556 CA TYR A 55 4.855 0.240 -0.327 1.00 0.00 C ATOM 557 C TYR A 55 5.348 1.197 -1.427 1.00 0.00 C ATOM 558 O TYR A 55 4.570 1.971 -1.987 1.00 0.00 O ATOM 559 CB TYR A 55 3.737 -0.683 -0.848 1.00 0.00 C ATOM 560 CG TYR A 55 3.193 -1.746 0.105 1.00 0.00 C ATOM 561 CD1 TYR A 55 4.031 -2.431 1.009 1.00 0.00 C ATOM 562 CD2 TYR A 55 1.824 -2.071 0.066 1.00 0.00 C ATOM 563 CE1 TYR A 55 3.499 -3.398 1.886 1.00 0.00 C ATOM 564 CE2 TYR A 55 1.280 -3.016 0.956 1.00 0.00 C ATOM 565 CZ TYR A 55 2.118 -3.688 1.868 1.00 0.00 C ATOM 566 OH TYR A 55 1.593 -4.619 2.710 1.00 0.00 O ATOM 0 H TYR A 55 3.779 1.782 0.558 1.00 0.00 H new ATOM 0 HA TYR A 55 5.700 -0.379 -0.025 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.903 -0.055 -1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.108 -1.189 -1.739 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.089 -2.213 1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.182 -1.589 -0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.150 -3.918 2.573 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.221 -3.226 0.940 1.00 0.00 H new ATOM 0 HH TYR A 55 0.617 -4.531 2.727 1.00 0.00 H new ATOM 576 N GLU A 56 6.654 1.178 -1.709 1.00 0.00 N ATOM 577 CA GLU A 56 7.279 1.970 -2.784 1.00 0.00 C ATOM 578 C GLU A 56 6.926 1.442 -4.197 1.00 0.00 C ATOM 579 O GLU A 56 6.393 0.340 -4.359 1.00 0.00 O ATOM 580 CB GLU A 56 8.807 1.997 -2.588 1.00 0.00 C ATOM 581 CG GLU A 56 9.221 2.730 -1.303 1.00 0.00 C ATOM 582 CD GLU A 56 10.756 2.834 -1.194 1.00 0.00 C ATOM 583 OE1 GLU A 56 11.338 3.821 -1.705 1.00 0.00 O ATOM 584 OE2 GLU A 56 11.387 1.940 -0.578 1.00 0.00 O ATOM 0 H GLU A 56 7.321 0.605 -1.192 1.00 0.00 H new ATOM 0 HA GLU A 56 6.879 2.982 -2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.185 0.975 -2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.272 2.483 -3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.784 3.729 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.827 2.201 -0.435 1.00 0.00 H new ATOM 591 N GLY A 57 7.260 2.219 -5.233 1.00 0.00 N ATOM 592 CA GLY A 57 6.952 1.928 -6.641 1.00 0.00 C ATOM 593 C GLY A 57 5.545 2.378 -7.068 1.00 0.00 C ATOM 594 O GLY A 57 4.694 2.715 -6.242 1.00 0.00 O ATOM 0 H GLY A 57 7.768 3.095 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.690 2.420 -7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.049 0.856 -6.812 1.00 0.00 H new ATOM 598 N CYS A 58 5.287 2.387 -8.380 1.00 0.00 N ATOM 599 CA CYS A 58 4.017 2.838 -8.961 1.00 0.00 C ATOM 600 C CYS A 58 2.946 1.728 -8.951 1.00 0.00 C ATOM 601 O CYS A 58 2.592 1.173 -9.997 1.00 0.00 O ATOM 602 CB CYS A 58 4.284 3.393 -10.370 1.00 0.00 C ATOM 603 SG CYS A 58 2.879 4.404 -10.929 1.00 0.00 S ATOM 0 H CYS A 58 5.963 2.077 -9.078 1.00 0.00 H new ATOM 0 HA CYS A 58 3.604 3.637 -8.345 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.193 3.994 -10.365 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.449 2.571 -11.067 1.00 0.00 H new ATOM 0 HG CYS A 58 3.123 4.866 -12.119 1.00 0.00 H new ATOM 609 N TYR A 59 2.413 1.390 -7.771 1.00 0.00 N ATOM 610 CA TYR A 59 1.240 0.517 -7.667 1.00 0.00 C ATOM 611 C TYR A 59 -0.058 1.319 -7.889 1.00 0.00 C ATOM 612 O TYR A 59 -0.727 1.747 -6.949 1.00 0.00 O ATOM 613 CB TYR A 59 1.235 -0.283 -6.351 1.00 0.00 C ATOM 614 CG TYR A 59 0.099 -1.293 -6.207 1.00 0.00 C ATOM 615 CD1 TYR A 59 -0.527 -1.878 -7.334 1.00 0.00 C ATOM 616 CD2 TYR A 59 -0.348 -1.639 -4.916 1.00 0.00 C ATOM 617 CE1 TYR A 59 -1.604 -2.767 -7.167 1.00 0.00 C ATOM 618 CE2 TYR A 59 -1.420 -2.536 -4.744 1.00 0.00 C ATOM 619 CZ TYR A 59 -2.059 -3.095 -5.872 1.00 0.00 C ATOM 620 OH TYR A 59 -3.110 -3.947 -5.724 1.00 0.00 O ATOM 0 H TYR A 59 2.777 1.709 -6.873 1.00 0.00 H new ATOM 0 HA TYR A 59 1.296 -0.225 -8.463 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.184 -0.813 -6.263 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.183 0.419 -5.518 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.176 -1.640 -8.327 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.136 -1.212 -4.050 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.084 -3.200 -8.032 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.753 -2.796 -3.750 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.299 -4.071 -4.770 1.00 0.00 H new ATOM 630 N THR A 60 -0.427 1.532 -9.153 1.00 0.00 N ATOM 631 CA THR A 60 -1.648 2.251 -9.581 1.00 0.00 C ATOM 632 C THR A 60 -2.946 1.798 -8.880 1.00 0.00 C ATOM 633 O THR A 60 -3.830 2.618 -8.618 1.00 0.00 O ATOM 634 CB THR A 60 -1.817 2.088 -11.102 1.00 0.00 C ATOM 635 OG1 THR A 60 -0.613 2.437 -11.757 1.00 0.00 O ATOM 636 CG2 THR A 60 -2.914 2.975 -11.699 1.00 0.00 C ATOM 0 H THR A 60 0.129 1.201 -9.941 1.00 0.00 H new ATOM 0 HA THR A 60 -1.500 3.292 -9.293 1.00 0.00 H new ATOM 0 HB THR A 60 -2.091 1.044 -11.254 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.724 2.330 -12.725 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.974 2.805 -12.774 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.871 2.730 -11.239 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.678 4.022 -11.510 1.00 0.00 H new ATOM 644 N GLY A 61 -3.081 0.504 -8.567 1.00 0.00 N ATOM 645 CA GLY A 61 -4.308 -0.123 -8.056 1.00 0.00 C ATOM 646 C GLY A 61 -4.548 0.056 -6.550 1.00 0.00 C ATOM 647 O GLY A 61 -4.440 -0.906 -5.788 1.00 0.00 O ATOM 0 H GLY A 61 -2.313 -0.160 -8.666 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.161 0.288 -8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.274 -1.189 -8.279 1.00 0.00 H new ATOM 651 N GLY A 62 -4.927 1.261 -6.112 1.00 0.00 N ATOM 652 CA GLY A 62 -5.365 1.511 -4.733 1.00 0.00 C ATOM 653 C GLY A 62 -5.727 2.969 -4.443 1.00 0.00 C ATOM 654 O GLY A 62 -6.692 3.492 -5.007 1.00 0.00 O ATOM 0 H GLY A 62 -4.939 2.092 -6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.231 0.884 -4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.573 1.203 -4.051 1.00 0.00 H new ATOM 658 N TYR A 63 -4.967 3.613 -3.550 1.00 0.00 N ATOM 659 CA TYR A 63 -5.259 4.941 -2.991 1.00 0.00 C ATOM 660 C TYR A 63 -4.052 5.896 -3.082 1.00 0.00 C ATOM 661 O TYR A 63 -2.954 5.505 -3.485 1.00 0.00 O ATOM 662 CB TYR A 63 -5.730 4.787 -1.529 1.00 0.00 C ATOM 663 CG TYR A 63 -6.783 3.717 -1.285 1.00 0.00 C ATOM 664 CD1 TYR A 63 -8.091 3.881 -1.782 1.00 0.00 C ATOM 665 CD2 TYR A 63 -6.441 2.542 -0.583 1.00 0.00 C ATOM 666 CE1 TYR A 63 -9.052 2.868 -1.595 1.00 0.00 C ATOM 667 CE2 TYR A 63 -7.401 1.532 -0.386 1.00 0.00 C ATOM 668 CZ TYR A 63 -8.706 1.686 -0.903 1.00 0.00 C ATOM 669 OH TYR A 63 -9.616 0.685 -0.747 1.00 0.00 O ATOM 0 H TYR A 63 -4.103 3.212 -3.184 1.00 0.00 H new ATOM 0 HA TYR A 63 -6.053 5.391 -3.587 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.862 4.565 -0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.126 5.745 -1.191 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.358 4.786 -2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.440 2.417 -0.196 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.053 2.995 -1.981 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.139 0.638 0.161 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.208 -0.053 -0.248 1.00 0.00 H new ATOM 679 N SER A 64 -4.251 7.158 -2.680 1.00 0.00 N ATOM 680 CA SER A 64 -3.221 8.216 -2.654 1.00 0.00 C ATOM 681 C SER A 64 -3.014 8.880 -1.282 1.00 0.00 C ATOM 682 O SER A 64 -2.111 9.707 -1.131 1.00 0.00 O ATOM 683 CB SER A 64 -3.527 9.268 -3.728 1.00 0.00 C ATOM 684 OG SER A 64 -4.793 9.876 -3.505 1.00 0.00 O ATOM 0 H SER A 64 -5.160 7.486 -2.353 1.00 0.00 H new ATOM 0 HA SER A 64 -2.275 7.719 -2.870 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.749 10.031 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.513 8.801 -4.713 1.00 0.00 H new ATOM 0 HG SER A 64 -4.963 10.543 -4.202 1.00 0.00 H new ATOM 690 N ARG A 65 -3.803 8.501 -0.264 1.00 0.00 N ATOM 691 CA ARG A 65 -3.761 9.027 1.114 1.00 0.00 C ATOM 692 C ARG A 65 -3.957 7.922 2.155 1.00 0.00 C ATOM 693 O ARG A 65 -4.774 7.020 1.976 1.00 0.00 O ATOM 694 CB ARG A 65 -4.860 10.100 1.281 1.00 0.00 C ATOM 695 CG ARG A 65 -4.477 11.506 0.788 1.00 0.00 C ATOM 696 CD ARG A 65 -3.401 12.147 1.677 1.00 0.00 C ATOM 697 NE ARG A 65 -3.268 13.594 1.421 1.00 0.00 N ATOM 698 CZ ARG A 65 -2.551 14.459 2.119 1.00 0.00 C ATOM 699 NH1 ARG A 65 -1.806 14.091 3.124 1.00 0.00 N ATOM 700 NH2 ARG A 65 -2.569 15.726 1.821 1.00 0.00 N ATOM 0 H ARG A 65 -4.521 7.787 -0.382 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.776 9.463 1.279 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.750 9.773 0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.129 10.162 2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.113 11.445 -0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.363 12.141 0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.652 11.985 2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.444 11.657 1.499 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.783 13.966 0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.763 13.108 3.394 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.266 14.786 3.640 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.139 16.059 1.044 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.013 16.386 2.365 1.00 0.00 H new ATOM 714 N MET A 66 -3.271 8.058 3.292 1.00 0.00 N ATOM 715 CA MET A 66 -3.413 7.180 4.466 1.00 0.00 C ATOM 716 C MET A 66 -4.848 7.202 5.042 1.00 0.00 C ATOM 717 O MET A 66 -5.354 6.188 5.521 1.00 0.00 O ATOM 718 CB MET A 66 -2.359 7.603 5.508 1.00 0.00 C ATOM 719 CG MET A 66 -2.252 6.649 6.704 1.00 0.00 C ATOM 720 SD MET A 66 -1.548 5.014 6.342 1.00 0.00 S ATOM 721 CE MET A 66 0.205 5.320 6.694 1.00 0.00 C ATOM 0 H MET A 66 -2.583 8.799 3.430 1.00 0.00 H new ATOM 0 HA MET A 66 -3.240 6.145 4.172 1.00 0.00 H new ATOM 0 HB2 MET A 66 -1.386 7.670 5.020 1.00 0.00 H new ATOM 0 HB3 MET A 66 -2.602 8.601 5.872 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.643 7.125 7.472 1.00 0.00 H new ATOM 0 HG3 MET A 66 -3.247 6.511 7.126 1.00 0.00 H new ATOM 0 HE1 MET A 66 0.776 4.408 6.519 1.00 0.00 H new ATOM 0 HE2 MET A 66 0.575 6.110 6.041 1.00 0.00 H new ATOM 0 HE3 MET A 66 0.319 5.626 7.734 1.00 0.00 H new ATOM 731 N GLY A 67 -5.550 8.337 4.921 1.00 0.00 N ATOM 732 CA GLY A 67 -6.952 8.498 5.331 1.00 0.00 C ATOM 733 C GLY A 67 -7.978 7.748 4.469 1.00 0.00 C ATOM 734 O GLY A 67 -9.123 7.591 4.893 1.00 0.00 O ATOM 0 H GLY A 67 -5.150 9.188 4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.053 8.161 6.363 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.198 9.560 5.318 1.00 0.00 H new ATOM 738 N GLU A 68 -7.598 7.263 3.281 1.00 0.00 N ATOM 739 CA GLU A 68 -8.445 6.428 2.413 1.00 0.00 C ATOM 740 C GLU A 68 -8.273 4.931 2.716 1.00 0.00 C ATOM 741 O GLU A 68 -9.264 4.203 2.815 1.00 0.00 O ATOM 742 CB GLU A 68 -8.127 6.697 0.933 1.00 0.00 C ATOM 743 CG GLU A 68 -8.452 8.125 0.473 1.00 0.00 C ATOM 744 CD GLU A 68 -9.958 8.445 0.570 1.00 0.00 C ATOM 745 OE1 GLU A 68 -10.755 7.872 -0.211 1.00 0.00 O ATOM 746 OE2 GLU A 68 -10.350 9.277 1.422 1.00 0.00 O ATOM 0 H GLU A 68 -6.675 7.442 2.886 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.481 6.697 2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.069 6.502 0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.687 5.992 0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.892 8.836 1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.121 8.256 -0.557 1.00 0.00 H new ATOM 753 N CYS A 69 -7.030 4.465 2.901 1.00 0.00 N ATOM 754 CA CYS A 69 -6.733 3.059 3.205 1.00 0.00 C ATOM 755 C CYS A 69 -7.229 2.617 4.593 1.00 0.00 C ATOM 756 O CYS A 69 -7.499 1.436 4.799 1.00 0.00 O ATOM 757 CB CYS A 69 -5.237 2.792 3.001 1.00 0.00 C ATOM 758 SG CYS A 69 -4.065 3.498 4.195 1.00 0.00 S ATOM 0 H CYS A 69 -6.200 5.055 2.844 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.295 2.441 2.505 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.091 1.712 2.991 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.966 3.160 2.012 1.00 0.00 H new ATOM 763 N ALA A 70 -7.417 3.561 5.521 1.00 0.00 N ATOM 764 CA ALA A 70 -8.063 3.352 6.812 1.00 0.00 C ATOM 765 C ALA A 70 -9.579 3.134 6.665 1.00 0.00 C ATOM 766 O ALA A 70 -10.068 2.062 7.009 1.00 0.00 O ATOM 767 CB ALA A 70 -7.730 4.549 7.714 1.00 0.00 C ATOM 0 H ALA A 70 -7.111 4.524 5.385 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.683 2.439 7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.203 4.414 8.687 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.650 4.618 7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.100 5.465 7.254 1.00 0.00 H new ATOM 773 N ARG A 71 -10.336 4.116 6.143 1.00 0.00 N ATOM 774 CA ARG A 71 -11.817 4.072 6.067 1.00 0.00 C ATOM 775 C ARG A 71 -12.390 2.938 5.207 1.00 0.00 C ATOM 776 O ARG A 71 -13.502 2.478 5.467 1.00 0.00 O ATOM 777 CB ARG A 71 -12.378 5.439 5.635 1.00 0.00 C ATOM 778 CG ARG A 71 -12.047 5.822 4.181 1.00 0.00 C ATOM 779 CD ARG A 71 -12.579 7.209 3.806 1.00 0.00 C ATOM 780 NE ARG A 71 -11.945 8.265 4.619 1.00 0.00 N ATOM 781 CZ ARG A 71 -12.527 9.200 5.348 1.00 0.00 C ATOM 782 NH1 ARG A 71 -13.824 9.325 5.424 1.00 0.00 N ATOM 783 NH2 ARG A 71 -11.804 10.036 6.034 1.00 0.00 N ATOM 0 H ARG A 71 -9.938 4.972 5.757 1.00 0.00 H new ATOM 0 HA ARG A 71 -12.151 3.843 7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.461 5.432 5.760 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -11.985 6.208 6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.966 5.800 4.040 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.472 5.078 3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.392 7.399 2.749 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -13.659 7.237 3.948 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.925 8.274 4.618 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -14.429 8.686 4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -14.233 10.062 5.999 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.786 9.970 6.009 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.255 10.758 6.597 1.00 0.00 H new ATOM 797 N ASN A 72 -11.638 2.463 4.209 1.00 0.00 N ATOM 798 CA ASN A 72 -11.990 1.290 3.397 1.00 0.00 C ATOM 799 C ASN A 72 -11.737 -0.058 4.110 1.00 0.00 C ATOM 800 O ASN A 72 -12.129 -1.107 3.593 1.00 0.00 O ATOM 801 CB ASN A 72 -11.243 1.372 2.053 1.00 0.00 C ATOM 802 CG ASN A 72 -11.901 2.359 1.104 1.00 0.00 C ATOM 803 OD1 ASN A 72 -12.843 2.037 0.392 1.00 0.00 O ATOM 804 ND2 ASN A 72 -11.449 3.590 1.069 1.00 0.00 N ATOM 0 H ASN A 72 -10.752 2.889 3.937 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.066 1.315 3.226 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.209 1.670 2.229 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.216 0.385 1.591 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.882 4.275 0.450 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.664 3.862 1.661 1.00 0.00 H new ATOM 811 N CYS A 73 -11.118 -0.045 5.294 1.00 0.00 N ATOM 812 CA CYS A 73 -10.775 -1.215 6.108 1.00 0.00 C ATOM 813 C CYS A 73 -11.375 -1.144 7.537 1.00 0.00 C ATOM 814 O CYS A 73 -11.831 -0.081 7.972 1.00 0.00 O ATOM 815 CB CYS A 73 -9.240 -1.353 6.077 1.00 0.00 C ATOM 816 SG CYS A 73 -8.692 -2.612 4.888 1.00 0.00 S ATOM 0 H CYS A 73 -10.827 0.828 5.734 1.00 0.00 H new ATOM 0 HA CYS A 73 -11.224 -2.118 5.694 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -8.795 -0.392 5.818 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -8.880 -1.613 7.072 1.00 0.00 H new ATOM 821 N PRO A 74 -11.410 -2.263 8.291 1.00 0.00 N ATOM 822 CA PRO A 74 -11.982 -2.299 9.644 1.00 0.00 C ATOM 823 C PRO A 74 -11.073 -1.676 10.725 1.00 0.00 C ATOM 824 O PRO A 74 -11.561 -1.327 11.804 1.00 0.00 O ATOM 825 CB PRO A 74 -12.244 -3.783 9.924 1.00 0.00 C ATOM 826 CG PRO A 74 -11.166 -4.488 9.107 1.00 0.00 C ATOM 827 CD PRO A 74 -11.044 -3.609 7.863 1.00 0.00 C ATOM 0 HA PRO A 74 -12.887 -1.693 9.686 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.159 -4.013 10.986 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.245 -4.081 9.612 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.224 -4.550 9.651 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.455 -5.508 8.853 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -10.029 -3.631 7.467 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.704 -3.960 7.070 1.00 0.00 H new ATOM 835 N GLY A 75 -9.773 -1.508 10.436 1.00 0.00 N ATOM 836 CA GLY A 75 -8.742 -0.980 11.348 1.00 0.00 C ATOM 837 C GLY A 75 -8.574 -1.777 12.648 1.00 0.00 C ATOM 838 O GLY A 75 -8.363 -1.136 13.702 1.00 0.00 O ATOM 839 OXT GLY A 75 -8.627 -3.027 12.610 1.00 0.00 O ATOM 0 H GLY A 75 -9.393 -1.747 9.520 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.787 -0.960 10.823 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.990 0.051 11.599 1.00 0.00 H new TER 843 GLY A 75