USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 388 hydrogens (5 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 41 THR OG1 : rot 159:sc= 0.372 USER MOD Set 1.2: A 49 THR OG1 : rot 123:sc= 0.393 USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0527 K(o=-0.053,f=-2.5) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0963 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.1) USER MOD Single : A 21 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.55) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0291 USER MOD Single : A 26 HIS : no HE2:sc= 0.166 K(o=0.17,f=-3) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.319 K(o=0.32,f=-7.8!) USER MOD Single : A 39 GLN : amide:sc= -0.462 K(o=-0.46,f=-1.1) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0926 X(o=-0.093,f=-0.53) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -18.071 3.945 1.216 1.00 0.00 N HETATM 2 CA PCA A 1 -16.698 3.708 0.812 1.00 0.00 C HETATM 3 CB PCA A 1 -15.898 3.921 2.106 1.00 0.00 C HETATM 4 CG PCA A 1 -16.906 3.498 3.183 1.00 0.00 C HETATM 5 CD PCA A 1 -18.240 3.803 2.525 1.00 0.00 C HETATM 6 OE PCA A 1 -19.304 3.899 3.134 1.00 0.00 O HETATM 7 C PCA A 1 -16.523 2.283 0.284 1.00 0.00 C HETATM 8 O PCA A 1 -17.421 1.449 0.394 1.00 0.00 O HETATM 0 H2 PCA A 1 -18.165 4.918 1.571 1.00 0.00 H new HETATM 0 HA PCA A 1 -16.374 4.364 0.004 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -14.995 3.311 2.131 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -15.586 4.958 2.226 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -16.810 2.442 3.435 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -16.772 4.060 4.107 1.00 0.00 H new ATOM 14 N ASN A 2 -15.350 2.015 -0.297 1.00 0.00 N ATOM 15 CA ASN A 2 -15.016 0.712 -0.845 1.00 0.00 C ATOM 16 C ASN A 2 -13.536 0.410 -0.600 1.00 0.00 C ATOM 17 O ASN A 2 -12.720 1.323 -0.462 1.00 0.00 O ATOM 18 CB ASN A 2 -15.334 0.726 -2.341 1.00 0.00 C ATOM 19 CG ASN A 2 -15.124 -0.626 -3.007 1.00 0.00 C ATOM 20 OD1 ASN A 2 -15.163 -1.672 -2.363 1.00 0.00 O ATOM 21 ND2 ASN A 2 -14.901 -0.605 -4.312 1.00 0.00 N ATOM 0 H ASN A 2 -14.606 2.705 -0.397 1.00 0.00 H new ATOM 0 HA ASN A 2 -15.600 -0.070 -0.359 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -16.369 1.038 -2.484 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -14.706 1.469 -2.833 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -14.754 -1.478 -4.818 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -14.876 0.284 -4.811 1.00 0.00 H new ATOM 28 N CYS A 3 -13.185 -0.878 -0.546 1.00 0.00 N ATOM 29 CA CYS A 3 -11.821 -1.316 -0.317 1.00 0.00 C ATOM 30 C CYS A 3 -11.559 -2.631 -1.060 1.00 0.00 C ATOM 31 O CYS A 3 -11.603 -3.705 -0.465 1.00 0.00 O ATOM 32 CB CYS A 3 -11.574 -1.443 1.187 1.00 0.00 C ATOM 33 SG CYS A 3 -12.815 -2.367 2.133 1.00 0.00 S ATOM 0 H CYS A 3 -13.849 -1.644 -0.662 1.00 0.00 H new ATOM 0 HA CYS A 3 -11.120 -0.579 -0.710 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.606 -1.921 1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -11.501 -0.440 1.607 1.00 0.00 H new ATOM 38 N PRO A 4 -11.282 -2.551 -2.372 1.00 0.00 N ATOM 39 CA PRO A 4 -11.041 -3.697 -3.235 1.00 0.00 C ATOM 40 C PRO A 4 -9.658 -4.301 -2.992 1.00 0.00 C ATOM 41 O PRO A 4 -8.871 -3.768 -2.208 1.00 0.00 O ATOM 42 CB PRO A 4 -11.165 -3.140 -4.653 1.00 0.00 C ATOM 43 CG PRO A 4 -10.659 -1.706 -4.500 1.00 0.00 C ATOM 44 CD PRO A 4 -11.181 -1.311 -3.121 1.00 0.00 C ATOM 0 HA PRO A 4 -11.745 -4.507 -3.047 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.564 -3.707 -5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.194 -3.170 -5.010 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.572 -1.653 -4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.048 -1.054 -5.282 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.504 -0.611 -2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.150 -0.818 -3.195 1.00 0.00 H new ATOM 52 N THR A 5 -9.367 -5.416 -3.668 1.00 0.00 N ATOM 53 CA THR A 5 -8.090 -6.106 -3.553 1.00 0.00 C ATOM 54 C THR A 5 -7.325 -6.009 -4.867 1.00 0.00 C ATOM 55 O THR A 5 -7.835 -6.439 -5.902 1.00 0.00 O ATOM 56 CB THR A 5 -8.319 -7.579 -3.198 1.00 0.00 C ATOM 57 OG1 THR A 5 -9.204 -7.693 -2.108 1.00 0.00 O ATOM 58 CG2 THR A 5 -6.995 -8.247 -2.833 1.00 0.00 C ATOM 0 H THR A 5 -10.018 -5.864 -4.313 1.00 0.00 H new ATOM 0 HA THR A 5 -7.506 -5.634 -2.763 1.00 0.00 H new ATOM 0 HB THR A 5 -8.751 -8.073 -4.068 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.341 -8.640 -1.895 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.172 -9.293 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.312 -8.187 -3.680 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.555 -7.738 -1.975 1.00 0.00 H new ATOM 66 N ARG A 6 -6.112 -5.449 -4.838 1.00 0.00 N ATOM 67 CA ARG A 6 -5.233 -5.339 -6.000 1.00 0.00 C ATOM 68 C ARG A 6 -3.796 -5.621 -5.574 1.00 0.00 C ATOM 69 O ARG A 6 -3.360 -5.146 -4.527 1.00 0.00 O ATOM 70 CB ARG A 6 -5.318 -3.927 -6.590 1.00 0.00 C ATOM 71 CG ARG A 6 -6.685 -3.547 -7.167 1.00 0.00 C ATOM 72 CD ARG A 6 -6.930 -4.174 -8.541 1.00 0.00 C ATOM 73 NE ARG A 6 -7.197 -5.616 -8.463 1.00 0.00 N ATOM 74 CZ ARG A 6 -7.084 -6.460 -9.489 1.00 0.00 C ATOM 75 NH1 ARG A 6 -6.717 -6.031 -10.692 1.00 0.00 N ATOM 76 NH2 ARG A 6 -7.343 -7.754 -9.313 1.00 0.00 N ATOM 0 H ARG A 6 -5.708 -5.053 -3.989 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.545 -6.062 -6.754 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.056 -3.209 -5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.570 -3.833 -7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.468 -3.866 -6.480 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.754 -2.462 -7.248 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.775 -3.677 -9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.060 -4.003 -9.175 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.489 -5.998 -7.563 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.517 -5.042 -10.842 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.636 -6.691 -11.466 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.627 -8.097 -8.395 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.258 -8.402 -10.096 1.00 0.00 H new ATOM 90 N ARG A 7 -3.056 -6.387 -6.385 1.00 0.00 N ATOM 91 CA ARG A 7 -1.656 -6.714 -6.126 1.00 0.00 C ATOM 92 C ARG A 7 -0.817 -6.631 -7.407 1.00 0.00 C ATOM 93 O ARG A 7 0.407 -6.661 -7.334 1.00 0.00 O ATOM 94 CB ARG A 7 -1.558 -8.132 -5.543 1.00 0.00 C ATOM 95 CG ARG A 7 -2.292 -8.312 -4.207 1.00 0.00 C ATOM 96 CD ARG A 7 -1.713 -7.440 -3.083 1.00 0.00 C ATOM 97 NE ARG A 7 -0.291 -7.716 -2.844 1.00 0.00 N ATOM 98 CZ ARG A 7 0.185 -8.756 -2.158 1.00 0.00 C ATOM 99 NH1 ARG A 7 -0.633 -9.671 -1.638 1.00 0.00 N ATOM 100 NH2 ARG A 7 1.495 -8.882 -1.987 1.00 0.00 N ATOM 0 H ARG A 7 -3.419 -6.799 -7.245 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.265 -5.988 -5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.963 -8.840 -6.266 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.507 -8.385 -5.405 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.346 -8.069 -4.342 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.242 -9.359 -3.909 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.839 -6.388 -3.340 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.274 -7.614 -2.165 1.00 0.00 H new ATOM 0 HE ARG A 7 0.387 -7.060 -3.233 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.642 -9.583 -1.762 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.250 -10.460 -1.116 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.130 -8.186 -2.379 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.867 -9.674 -1.464 1.00 0.00 H new ATOM 114 N GLY A 8 -1.463 -6.529 -8.572 1.00 0.00 N ATOM 115 CA GLY A 8 -0.789 -6.492 -9.862 1.00 0.00 C ATOM 116 C GLY A 8 -0.451 -5.069 -10.304 1.00 0.00 C ATOM 117 O GLY A 8 -0.054 -4.857 -11.448 1.00 0.00 O ATOM 0 H GLY A 8 -2.479 -6.470 -8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.128 -7.079 -9.807 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.424 -6.962 -10.614 1.00 0.00 H new ATOM 121 N LEU A 9 -0.603 -4.092 -9.404 1.00 0.00 N ATOM 122 CA LEU A 9 -0.428 -2.681 -9.728 1.00 0.00 C ATOM 123 C LEU A 9 0.978 -2.371 -10.236 1.00 0.00 C ATOM 124 O LEU A 9 1.164 -1.397 -10.959 1.00 0.00 O ATOM 125 CB LEU A 9 -0.734 -1.855 -8.478 1.00 0.00 C ATOM 126 CG LEU A 9 -2.179 -2.043 -7.997 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.349 -1.364 -6.644 1.00 0.00 C ATOM 128 CD2 LEU A 9 -3.164 -1.430 -8.987 1.00 0.00 C ATOM 0 H LEU A 9 -0.851 -4.263 -8.430 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.114 -2.425 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.048 -2.139 -7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.558 -0.800 -8.690 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.382 -3.111 -7.915 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.374 -1.495 -6.298 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.663 -1.811 -5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.131 -0.300 -6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.182 -1.576 -8.625 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.963 -0.363 -9.087 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.052 -1.913 -9.958 1.00 0.00 H new ATOM 140 N CYS A 10 1.966 -3.189 -9.865 1.00 0.00 N ATOM 141 CA CYS A 10 3.349 -2.985 -10.282 1.00 0.00 C ATOM 142 C CYS A 10 3.584 -3.431 -11.728 1.00 0.00 C ATOM 143 O CYS A 10 4.712 -3.363 -12.209 1.00 0.00 O ATOM 144 CB CYS A 10 4.279 -3.721 -9.314 1.00 0.00 C ATOM 145 SG CYS A 10 4.348 -2.998 -7.653 1.00 0.00 S ATOM 0 H CYS A 10 1.828 -4.006 -9.270 1.00 0.00 H new ATOM 0 HA CYS A 10 3.568 -1.918 -10.251 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.953 -4.758 -9.233 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.285 -3.735 -9.734 1.00 0.00 H new ATOM 150 N VAL A 11 2.532 -3.887 -12.422 1.00 0.00 N ATOM 151 CA VAL A 11 2.633 -4.339 -13.807 1.00 0.00 C ATOM 152 C VAL A 11 1.575 -3.675 -14.689 1.00 0.00 C ATOM 153 O VAL A 11 1.766 -3.578 -15.902 1.00 0.00 O ATOM 154 CB VAL A 11 2.487 -5.865 -13.847 1.00 0.00 C ATOM 155 CG1 VAL A 11 2.700 -6.410 -15.260 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.513 -6.531 -12.930 1.00 0.00 C ATOM 0 H VAL A 11 1.590 -3.951 -12.035 1.00 0.00 H new ATOM 0 HA VAL A 11 3.608 -4.053 -14.201 1.00 0.00 H new ATOM 0 HB VAL A 11 1.474 -6.092 -13.514 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.589 -7.494 -15.252 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.961 -5.975 -15.933 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.701 -6.150 -15.603 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.392 -7.613 -12.974 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.519 -6.265 -13.256 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.361 -6.190 -11.906 1.00 0.00 H new ATOM 166 N THR A 12 0.465 -3.213 -14.108 1.00 0.00 N ATOM 167 CA THR A 12 -0.619 -2.613 -14.877 1.00 0.00 C ATOM 168 C THR A 12 -0.542 -1.087 -14.890 1.00 0.00 C ATOM 169 O THR A 12 -1.111 -0.461 -15.783 1.00 0.00 O ATOM 170 CB THR A 12 -1.967 -3.070 -14.313 1.00 0.00 C ATOM 171 OG1 THR A 12 -2.054 -2.735 -12.946 1.00 0.00 O ATOM 172 CG2 THR A 12 -2.123 -4.583 -14.464 1.00 0.00 C ATOM 0 H THR A 12 0.297 -3.245 -13.103 1.00 0.00 H new ATOM 0 HA THR A 12 -0.518 -2.949 -15.909 1.00 0.00 H new ATOM 0 HB THR A 12 -2.759 -2.568 -14.868 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.919 -3.029 -12.592 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.086 -4.892 -14.058 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.071 -4.851 -15.519 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.323 -5.087 -13.922 1.00 0.00 H new ATOM 180 N SER A 13 0.151 -0.484 -13.920 1.00 0.00 N ATOM 181 CA SER A 13 0.257 0.967 -13.823 1.00 0.00 C ATOM 182 C SER A 13 1.614 1.423 -13.280 1.00 0.00 C ATOM 183 O SER A 13 2.013 2.563 -13.514 1.00 0.00 O ATOM 184 CB SER A 13 -0.829 1.443 -12.869 1.00 0.00 C ATOM 185 OG SER A 13 -2.099 1.381 -13.479 1.00 0.00 O ATOM 0 H SER A 13 0.650 -0.987 -13.186 1.00 0.00 H new ATOM 0 HA SER A 13 0.148 1.387 -14.823 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.823 0.828 -11.969 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.621 2.466 -12.557 1.00 0.00 H new ATOM 0 HG SER A 13 -2.781 1.690 -12.847 1.00 0.00 H new ATOM 191 N GLY A 14 2.324 0.554 -12.562 1.00 0.00 N ATOM 192 CA GLY A 14 3.635 0.856 -12.009 1.00 0.00 C ATOM 193 C GLY A 14 3.567 1.144 -10.513 1.00 0.00 C ATOM 194 O GLY A 14 2.502 1.065 -9.897 1.00 0.00 O ATOM 0 H GLY A 14 1.998 -0.388 -12.348 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.307 0.016 -12.187 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.058 1.717 -12.526 1.00 0.00 H new ATOM 198 N LEU A 15 4.718 1.484 -9.927 1.00 0.00 N ATOM 199 CA LEU A 15 4.847 1.708 -8.493 1.00 0.00 C ATOM 200 C LEU A 15 3.947 2.846 -8.017 1.00 0.00 C ATOM 201 O LEU A 15 3.504 2.839 -6.870 1.00 0.00 O ATOM 202 CB LEU A 15 6.317 2.026 -8.197 1.00 0.00 C ATOM 203 CG LEU A 15 6.566 2.403 -6.733 1.00 0.00 C ATOM 204 CD1 LEU A 15 6.193 1.266 -5.782 1.00 0.00 C ATOM 205 CD2 LEU A 15 8.045 2.727 -6.549 1.00 0.00 C ATOM 0 H LEU A 15 5.590 1.611 -10.441 1.00 0.00 H new ATOM 0 HA LEU A 15 4.532 0.813 -7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.929 1.161 -8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.642 2.846 -8.838 1.00 0.00 H new ATOM 0 HG LEU A 15 5.942 3.265 -6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.385 1.574 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.136 1.027 -5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.792 0.386 -6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.232 2.997 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.644 1.855 -6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.318 3.562 -7.195 1.00 0.00 H new ATOM 217 N THR A 16 3.667 3.828 -8.878 1.00 0.00 N ATOM 218 CA THR A 16 2.846 4.968 -8.496 1.00 0.00 C ATOM 219 C THR A 16 1.439 4.527 -8.108 1.00 0.00 C ATOM 220 O THR A 16 0.836 5.117 -7.213 1.00 0.00 O ATOM 221 CB THR A 16 2.797 5.966 -9.655 1.00 0.00 C ATOM 222 OG1 THR A 16 4.110 6.256 -10.081 1.00 0.00 O ATOM 223 CG2 THR A 16 2.132 7.271 -9.220 1.00 0.00 C ATOM 0 H THR A 16 3.999 3.852 -9.842 1.00 0.00 H new ATOM 0 HA THR A 16 3.291 5.447 -7.624 1.00 0.00 H new ATOM 0 HB THR A 16 2.220 5.520 -10.465 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.079 6.894 -10.824 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.108 7.965 -10.060 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.114 7.068 -8.889 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.699 7.713 -8.400 1.00 0.00 H new ATOM 231 N ALA A 17 0.901 3.498 -8.766 1.00 0.00 N ATOM 232 CA ALA A 17 -0.435 3.017 -8.449 1.00 0.00 C ATOM 233 C ALA A 17 -0.392 2.126 -7.216 1.00 0.00 C ATOM 234 O ALA A 17 -1.360 2.069 -6.460 1.00 0.00 O ATOM 235 CB ALA A 17 -0.996 2.267 -9.656 1.00 0.00 C ATOM 0 H ALA A 17 1.370 2.989 -9.515 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.089 3.860 -8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.997 1.904 -9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.042 2.939 -10.513 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.349 1.422 -9.892 1.00 0.00 H new ATOM 241 N CYS A 18 0.725 1.426 -7.003 1.00 0.00 N ATOM 242 CA CYS A 18 0.903 0.592 -5.827 1.00 0.00 C ATOM 243 C CYS A 18 1.019 1.470 -4.584 1.00 0.00 C ATOM 244 O CYS A 18 0.606 1.070 -3.497 1.00 0.00 O ATOM 245 CB CYS A 18 2.155 -0.264 -6.030 1.00 0.00 C ATOM 246 SG CYS A 18 2.624 -1.298 -4.618 1.00 0.00 S ATOM 0 H CYS A 18 1.522 1.425 -7.640 1.00 0.00 H new ATOM 0 HA CYS A 18 0.044 -0.064 -5.685 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.998 -0.909 -6.895 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.990 0.394 -6.270 1.00 0.00 H new ATOM 251 N ARG A 19 1.581 2.672 -4.742 1.00 0.00 N ATOM 252 CA ARG A 19 1.757 3.613 -3.645 1.00 0.00 C ATOM 253 C ARG A 19 0.454 4.338 -3.332 1.00 0.00 C ATOM 254 O ARG A 19 0.198 4.677 -2.179 1.00 0.00 O ATOM 255 CB ARG A 19 2.860 4.598 -4.033 1.00 0.00 C ATOM 256 CG ARG A 19 3.471 5.249 -2.795 1.00 0.00 C ATOM 257 CD ARG A 19 4.609 6.170 -3.231 1.00 0.00 C ATOM 258 NE ARG A 19 5.386 6.630 -2.075 1.00 0.00 N ATOM 259 CZ ARG A 19 6.104 7.754 -2.051 1.00 0.00 C ATOM 260 NH1 ARG A 19 6.143 8.561 -3.107 1.00 0.00 N ATOM 261 NH2 ARG A 19 6.796 8.075 -0.960 1.00 0.00 N ATOM 0 H ARG A 19 1.926 3.015 -5.638 1.00 0.00 H new ATOM 0 HA ARG A 19 2.044 3.078 -2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.636 4.078 -4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.452 5.367 -4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.713 5.816 -2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.844 4.485 -2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.262 5.643 -3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.202 7.029 -3.765 1.00 0.00 H new ATOM 0 HE ARG A 19 5.377 6.052 -1.234 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.620 8.324 -3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.696 9.417 -3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.776 7.462 -0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.346 8.934 -0.939 1.00 0.00 H new ATOM 275 N ASN A 20 -0.369 4.570 -4.356 1.00 0.00 N ATOM 276 CA ASN A 20 -1.662 5.211 -4.182 1.00 0.00 C ATOM 277 C ASN A 20 -2.699 4.232 -3.632 1.00 0.00 C ATOM 278 O ASN A 20 -3.676 4.650 -3.015 1.00 0.00 O ATOM 279 CB ASN A 20 -2.127 5.783 -5.524 1.00 0.00 C ATOM 280 CG ASN A 20 -1.230 6.913 -6.020 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.386 7.427 -5.289 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.409 7.309 -7.276 1.00 0.00 N ATOM 0 H ASN A 20 -0.155 4.319 -5.321 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.556 6.018 -3.457 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.147 4.986 -6.268 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.148 6.151 -5.424 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.837 8.061 -7.660 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.119 6.861 -7.856 1.00 0.00 H new ATOM 289 N HIS A 21 -2.497 2.928 -3.847 1.00 0.00 N ATOM 290 CA HIS A 21 -3.410 1.907 -3.352 1.00 0.00 C ATOM 291 C HIS A 21 -3.128 1.589 -1.887 1.00 0.00 C ATOM 292 O HIS A 21 -4.055 1.326 -1.120 1.00 0.00 O ATOM 293 CB HIS A 21 -3.264 0.658 -4.217 1.00 0.00 C ATOM 294 CG HIS A 21 -4.192 -0.459 -3.827 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.547 -0.520 -4.065 1.00 0.00 N ATOM 296 CD2 HIS A 21 -3.843 -1.611 -3.178 1.00 0.00 C ATOM 297 CE1 HIS A 21 -5.996 -1.684 -3.566 1.00 0.00 C ATOM 298 NE2 HIS A 21 -4.995 -2.391 -3.018 1.00 0.00 N ATOM 0 H HIS A 21 -1.700 2.558 -4.366 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.434 2.275 -3.413 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.447 0.924 -5.258 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.236 0.302 -4.155 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.850 -1.874 -2.846 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -7.026 -2.008 -3.601 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -5.060 -3.308 -2.576 1.00 0.00 H new ATOM 306 N CYS A 22 -1.854 1.612 -1.491 1.00 0.00 N ATOM 307 CA CYS A 22 -1.478 1.382 -0.103 1.00 0.00 C ATOM 308 C CYS A 22 -1.799 2.605 0.754 1.00 0.00 C ATOM 309 O CYS A 22 -1.981 2.471 1.961 1.00 0.00 O ATOM 310 CB CYS A 22 0.014 1.067 -0.038 1.00 0.00 C ATOM 311 SG CYS A 22 0.469 -0.534 -0.753 1.00 0.00 S ATOM 0 H CYS A 22 -1.067 1.788 -2.116 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.048 0.540 0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.562 1.853 -0.557 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.333 1.091 1.004 1.00 0.00 H new ATOM 316 N ARG A 23 -1.873 3.796 0.143 1.00 0.00 N ATOM 317 CA ARG A 23 -2.231 5.026 0.844 1.00 0.00 C ATOM 318 C ARG A 23 -3.739 5.264 0.805 1.00 0.00 C ATOM 319 O ARG A 23 -4.211 6.359 1.111 1.00 0.00 O ATOM 320 CB ARG A 23 -1.439 6.211 0.281 1.00 0.00 C ATOM 321 CG ARG A 23 0.020 6.127 0.736 1.00 0.00 C ATOM 322 CD ARG A 23 0.799 7.326 0.198 1.00 0.00 C ATOM 323 NE ARG A 23 2.119 7.411 0.829 1.00 0.00 N ATOM 324 CZ ARG A 23 3.059 8.301 0.500 1.00 0.00 C ATOM 325 NH1 ARG A 23 2.858 9.177 -0.482 1.00 0.00 N ATOM 326 NH2 ARG A 23 4.213 8.312 1.162 1.00 0.00 N ATOM 0 H ARG A 23 -1.685 3.928 -0.851 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.960 4.922 1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.490 6.209 -0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.881 7.148 0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.071 6.107 1.825 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.469 5.200 0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.912 7.238 -0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.241 8.243 0.386 1.00 0.00 H new ATOM 0 HE ARG A 23 2.335 6.745 1.570 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.976 9.175 -0.995 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.586 9.851 -0.721 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.375 7.644 1.915 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.935 8.989 0.916 1.00 0.00 H new ATOM 340 N SER A 24 -4.498 4.234 0.428 1.00 0.00 N ATOM 341 CA SER A 24 -5.950 4.265 0.406 1.00 0.00 C ATOM 342 C SER A 24 -6.486 2.989 1.046 1.00 0.00 C ATOM 343 O SER A 24 -5.732 2.046 1.283 1.00 0.00 O ATOM 344 CB SER A 24 -6.437 4.417 -1.034 1.00 0.00 C ATOM 345 OG SER A 24 -7.836 4.596 -1.058 1.00 0.00 O ATOM 0 H SER A 24 -4.108 3.342 0.125 1.00 0.00 H new ATOM 0 HA SER A 24 -6.320 5.117 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.946 5.269 -1.504 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.166 3.534 -1.613 1.00 0.00 H new ATOM 0 HG SER A 24 -8.137 4.694 -1.985 1.00 0.00 H new ATOM 351 N CYS A 25 -7.789 2.952 1.327 1.00 0.00 N ATOM 352 CA CYS A 25 -8.395 1.806 1.982 1.00 0.00 C ATOM 353 C CYS A 25 -8.492 0.641 1.001 1.00 0.00 C ATOM 354 O CYS A 25 -9.090 0.773 -0.066 1.00 0.00 O ATOM 355 CB CYS A 25 -9.760 2.208 2.547 1.00 0.00 C ATOM 356 SG CYS A 25 -10.482 1.001 3.689 1.00 0.00 S ATOM 0 H CYS A 25 -8.440 3.706 1.109 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.776 1.474 2.816 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -9.659 3.163 3.063 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -10.451 2.365 1.719 1.00 0.00 H new ATOM 361 N HIS A 26 -7.903 -0.505 1.359 1.00 0.00 N ATOM 362 CA HIS A 26 -7.890 -1.687 0.514 1.00 0.00 C ATOM 363 C HIS A 26 -8.097 -2.934 1.365 1.00 0.00 C ATOM 364 O HIS A 26 -7.962 -2.878 2.587 1.00 0.00 O ATOM 365 CB HIS A 26 -6.552 -1.748 -0.226 1.00 0.00 C ATOM 366 CG HIS A 26 -5.382 -1.677 0.713 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.632 -0.550 0.985 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.878 -2.704 1.460 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.696 -0.883 1.892 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.832 -2.188 2.197 1.00 0.00 N ATOM 0 H HIS A 26 -7.421 -0.631 2.249 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.699 -1.637 -0.214 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.499 -2.672 -0.801 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.495 -0.925 -0.938 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.764 0.373 0.571 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.231 -3.725 1.471 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.957 -0.214 2.307 1.00 0.00 H new ATOM 379 N ARG A 27 -8.429 -4.061 0.737 1.00 0.00 N ATOM 380 CA ARG A 27 -8.681 -5.303 1.456 1.00 0.00 C ATOM 381 C ARG A 27 -7.372 -5.904 1.965 1.00 0.00 C ATOM 382 O ARG A 27 -6.388 -5.960 1.229 1.00 0.00 O ATOM 383 CB ARG A 27 -9.429 -6.278 0.541 1.00 0.00 C ATOM 384 CG ARG A 27 -10.763 -6.745 1.132 1.00 0.00 C ATOM 385 CD ARG A 27 -10.594 -7.451 2.480 1.00 0.00 C ATOM 386 NE ARG A 27 -9.746 -8.642 2.363 1.00 0.00 N ATOM 387 CZ ARG A 27 -10.174 -9.849 1.985 1.00 0.00 C ATOM 388 NH1 ARG A 27 -11.450 -10.060 1.675 1.00 0.00 N ATOM 389 NH2 ARG A 27 -9.311 -10.859 1.920 1.00 0.00 N ATOM 0 H ARG A 27 -8.530 -4.136 -0.275 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.304 -5.099 2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.611 -5.799 -0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.798 -7.146 0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.422 -5.886 1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.250 -7.422 0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.155 -6.761 3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.572 -7.737 2.867 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.756 -8.541 2.587 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.120 -9.293 1.724 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.758 -10.989 1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.331 -10.708 2.158 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.630 -11.784 1.632 1.00 0.00 H new ATOM 403 N GLY A 28 -7.370 -6.349 3.223 1.00 0.00 N ATOM 404 CA GLY A 28 -6.222 -6.988 3.856 1.00 0.00 C ATOM 405 C GLY A 28 -6.393 -8.500 3.906 1.00 0.00 C ATOM 406 O GLY A 28 -7.088 -9.081 3.071 1.00 0.00 O ATOM 0 H GLY A 28 -8.180 -6.273 3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.315 -6.740 3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.098 -6.600 4.867 1.00 0.00 H new ATOM 410 N ASP A 29 -5.763 -9.140 4.891 1.00 0.00 N ATOM 411 CA ASP A 29 -5.831 -10.589 5.050 1.00 0.00 C ATOM 412 C ASP A 29 -7.027 -11.019 5.896 1.00 0.00 C ATOM 413 O ASP A 29 -7.434 -12.178 5.841 1.00 0.00 O ATOM 414 CB ASP A 29 -4.522 -11.060 5.684 1.00 0.00 C ATOM 415 CG ASP A 29 -4.439 -12.583 5.742 1.00 0.00 C ATOM 416 OD1 ASP A 29 -4.387 -13.198 4.651 1.00 0.00 O ATOM 417 OD2 ASP A 29 -4.426 -13.117 6.873 1.00 0.00 O ATOM 0 H ASP A 29 -5.195 -8.670 5.596 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.967 -11.048 4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.680 -10.671 5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.438 -10.652 6.691 1.00 0.00 H new ATOM 422 N VAL A 30 -7.592 -10.097 6.681 1.00 0.00 N ATOM 423 CA VAL A 30 -8.722 -10.385 7.557 1.00 0.00 C ATOM 424 C VAL A 30 -9.750 -9.246 7.567 1.00 0.00 C ATOM 425 O VAL A 30 -10.850 -9.406 8.090 1.00 0.00 O ATOM 426 CB VAL A 30 -8.173 -10.669 8.964 1.00 0.00 C ATOM 427 CG1 VAL A 30 -7.558 -9.416 9.592 1.00 0.00 C ATOM 428 CG2 VAL A 30 -9.262 -11.209 9.889 1.00 0.00 C ATOM 0 H VAL A 30 -7.275 -9.129 6.724 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.257 -11.259 7.185 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.396 -11.425 8.847 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.180 -9.655 10.586 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.738 -9.061 8.968 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.317 -8.638 9.670 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.840 -11.399 10.876 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.065 -10.476 9.973 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.660 -12.138 9.479 1.00 0.00 H new ATOM 438 N GLY A 31 -9.403 -8.091 6.990 1.00 0.00 N ATOM 439 CA GLY A 31 -10.277 -6.929 6.942 1.00 0.00 C ATOM 440 C GLY A 31 -9.601 -5.813 6.155 1.00 0.00 C ATOM 441 O GLY A 31 -8.433 -5.935 5.790 1.00 0.00 O ATOM 0 H GLY A 31 -8.499 -7.942 6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.226 -7.194 6.475 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.503 -6.589 7.953 1.00 0.00 H new ATOM 445 N CYS A 32 -10.320 -4.721 5.890 1.00 0.00 N ATOM 446 CA CYS A 32 -9.756 -3.625 5.115 1.00 0.00 C ATOM 447 C CYS A 32 -8.859 -2.740 5.972 1.00 0.00 C ATOM 448 O CYS A 32 -9.153 -2.470 7.136 1.00 0.00 O ATOM 449 CB CYS A 32 -10.863 -2.826 4.427 1.00 0.00 C ATOM 450 SG CYS A 32 -11.705 -3.761 3.126 1.00 0.00 S ATOM 0 H CYS A 32 -11.282 -4.576 6.198 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.123 -4.049 4.335 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.594 -2.512 5.172 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.436 -1.920 3.997 1.00 0.00 H new ATOM 455 N VAL A 33 -7.751 -2.289 5.374 1.00 0.00 N ATOM 456 CA VAL A 33 -6.744 -1.485 6.044 1.00 0.00 C ATOM 457 C VAL A 33 -6.140 -0.477 5.068 1.00 0.00 C ATOM 458 O VAL A 33 -6.366 -0.555 3.859 1.00 0.00 O ATOM 459 CB VAL A 33 -5.638 -2.380 6.625 1.00 0.00 C ATOM 460 CG1 VAL A 33 -6.186 -3.365 7.654 1.00 0.00 C ATOM 461 CG2 VAL A 33 -4.931 -3.169 5.522 1.00 0.00 C ATOM 0 H VAL A 33 -7.533 -2.480 4.396 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.222 -0.946 6.862 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.928 -1.713 7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.372 -3.979 8.040 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.647 -2.815 8.475 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.932 -4.006 7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.154 -3.793 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.654 -3.800 5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.481 -2.477 4.811 1.00 0.00 H new ATOM 471 N ARG A 34 -5.370 0.470 5.603 1.00 0.00 N ATOM 472 CA ARG A 34 -4.625 1.461 4.839 1.00 0.00 C ATOM 473 C ARG A 34 -3.235 1.587 5.455 1.00 0.00 C ATOM 474 O ARG A 34 -3.085 1.352 6.648 1.00 0.00 O ATOM 475 CB ARG A 34 -5.371 2.796 4.827 1.00 0.00 C ATOM 476 CG ARG A 34 -5.618 3.319 6.243 1.00 0.00 C ATOM 477 CD ARG A 34 -6.404 4.629 6.182 1.00 0.00 C ATOM 478 NE ARG A 34 -6.780 5.077 7.529 1.00 0.00 N ATOM 479 CZ ARG A 34 -7.331 6.262 7.798 1.00 0.00 C ATOM 480 NH1 ARG A 34 -7.585 7.135 6.828 1.00 0.00 N ATOM 481 NH2 ARG A 34 -7.632 6.582 9.053 1.00 0.00 N ATOM 0 H ARG A 34 -5.246 0.569 6.611 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.525 1.150 3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.795 3.530 4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.324 2.676 4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.171 2.579 6.822 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.668 3.478 6.753 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.803 5.396 5.694 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.300 4.492 5.576 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.609 4.442 8.309 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.358 6.903 5.861 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.007 8.037 7.051 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.442 5.922 9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.053 7.487 9.261 1.00 0.00 H new ATOM 495 N CYS A 35 -2.228 1.949 4.659 1.00 0.00 N ATOM 496 CA CYS A 35 -0.844 1.962 5.104 1.00 0.00 C ATOM 497 C CYS A 35 -0.168 3.305 4.821 1.00 0.00 C ATOM 498 O CYS A 35 -0.816 4.258 4.388 1.00 0.00 O ATOM 499 CB CYS A 35 -0.102 0.824 4.405 1.00 0.00 C ATOM 500 SG CYS A 35 -0.773 -0.846 4.631 1.00 0.00 S ATOM 0 H CYS A 35 -2.354 2.240 3.690 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.816 1.821 6.184 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.078 1.039 3.337 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.931 0.826 4.754 1.00 0.00 H new ATOM 505 N SER A 36 1.146 3.375 5.069 1.00 0.00 N ATOM 506 CA SER A 36 1.910 4.614 4.981 1.00 0.00 C ATOM 507 C SER A 36 2.669 4.747 3.663 1.00 0.00 C ATOM 508 O SER A 36 2.789 5.850 3.126 1.00 0.00 O ATOM 509 CB SER A 36 2.892 4.649 6.148 1.00 0.00 C ATOM 510 OG SER A 36 3.526 5.911 6.213 1.00 0.00 O ATOM 0 H SER A 36 1.707 2.566 5.337 1.00 0.00 H new ATOM 0 HA SER A 36 1.212 5.450 5.024 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.366 4.449 7.082 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.639 3.864 6.028 1.00 0.00 H new ATOM 0 HG SER A 36 4.153 5.924 6.966 1.00 0.00 H new ATOM 516 N ASN A 37 3.189 3.639 3.133 1.00 0.00 N ATOM 517 CA ASN A 37 3.981 3.658 1.907 1.00 0.00 C ATOM 518 C ASN A 37 3.869 2.305 1.193 1.00 0.00 C ATOM 519 O ASN A 37 3.116 1.437 1.634 1.00 0.00 O ATOM 520 CB ASN A 37 5.430 3.999 2.278 1.00 0.00 C ATOM 521 CG ASN A 37 6.258 4.449 1.077 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.722 4.727 0.011 1.00 0.00 O ATOM 523 ND2 ASN A 37 7.571 4.527 1.248 1.00 0.00 N ATOM 0 H ASN A 37 3.073 2.711 3.539 1.00 0.00 H new ATOM 0 HA ASN A 37 3.611 4.414 1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.432 4.788 3.031 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.900 3.126 2.730 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.169 4.826 0.478 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.983 4.288 2.150 1.00 0.00 H new ATOM 530 N ALA A 38 4.614 2.114 0.097 1.00 0.00 N ATOM 531 CA ALA A 38 4.555 0.889 -0.682 1.00 0.00 C ATOM 532 C ALA A 38 5.852 0.643 -1.447 1.00 0.00 C ATOM 533 O ALA A 38 6.696 1.530 -1.562 1.00 0.00 O ATOM 534 CB ALA A 38 3.402 0.996 -1.676 1.00 0.00 C ATOM 0 H ALA A 38 5.269 2.806 -0.266 1.00 0.00 H new ATOM 0 HA ALA A 38 4.405 0.054 0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.346 0.082 -2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.466 1.135 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.569 1.847 -2.337 1.00 0.00 H new ATOM 540 N GLN A 39 5.997 -0.575 -1.973 1.00 0.00 N ATOM 541 CA GLN A 39 7.092 -0.951 -2.849 1.00 0.00 C ATOM 542 C GLN A 39 6.668 -2.128 -3.726 1.00 0.00 C ATOM 543 O GLN A 39 5.664 -2.786 -3.452 1.00 0.00 O ATOM 544 CB GLN A 39 8.335 -1.314 -2.032 1.00 0.00 C ATOM 545 CG GLN A 39 8.103 -2.532 -1.135 1.00 0.00 C ATOM 546 CD GLN A 39 9.397 -2.963 -0.450 1.00 0.00 C ATOM 547 OE1 GLN A 39 9.929 -4.034 -0.726 1.00 0.00 O ATOM 548 NE2 GLN A 39 9.919 -2.134 0.448 1.00 0.00 N ATOM 0 H GLN A 39 5.342 -1.336 -1.795 1.00 0.00 H new ATOM 0 HA GLN A 39 7.341 -0.103 -3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.166 -1.516 -2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.625 -0.462 -1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.351 -2.296 -0.383 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.711 -3.357 -1.730 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.454 -1.250 0.657 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.784 -2.381 0.928 1.00 0.00 H new ATOM 557 N CYS A 40 7.436 -2.401 -4.784 1.00 0.00 N ATOM 558 CA CYS A 40 7.179 -3.542 -5.647 1.00 0.00 C ATOM 559 C CYS A 40 8.106 -4.694 -5.263 1.00 0.00 C ATOM 560 O CYS A 40 9.277 -4.474 -4.947 1.00 0.00 O ATOM 561 CB CYS A 40 7.327 -3.128 -7.112 1.00 0.00 C ATOM 562 SG CYS A 40 6.086 -1.927 -7.663 1.00 0.00 S ATOM 0 H CYS A 40 8.243 -1.841 -5.059 1.00 0.00 H new ATOM 0 HA CYS A 40 6.155 -3.893 -5.516 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.320 -2.704 -7.261 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.262 -4.017 -7.739 1.00 0.00 H new ATOM 567 N THR A 41 7.582 -5.922 -5.287 1.00 0.00 N ATOM 568 CA THR A 41 8.307 -7.118 -4.875 1.00 0.00 C ATOM 569 C THR A 41 8.046 -8.269 -5.843 1.00 0.00 C ATOM 570 O THR A 41 7.329 -8.106 -6.830 1.00 0.00 O ATOM 571 CB THR A 41 7.878 -7.522 -3.462 1.00 0.00 C ATOM 572 OG1 THR A 41 6.506 -7.857 -3.447 1.00 0.00 O ATOM 573 CG2 THR A 41 8.120 -6.397 -2.457 1.00 0.00 C ATOM 0 H THR A 41 6.629 -6.112 -5.598 1.00 0.00 H new ATOM 0 HA THR A 41 9.374 -6.896 -4.882 1.00 0.00 H new ATOM 0 HB THR A 41 8.480 -8.384 -3.174 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.315 -8.418 -2.667 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.803 -6.721 -1.465 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.181 -6.150 -2.436 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.548 -5.517 -2.751 1.00 0.00 H new ATOM 581 N GLY A 42 8.629 -9.436 -5.558 1.00 0.00 N ATOM 582 CA GLY A 42 8.487 -10.627 -6.381 1.00 0.00 C ATOM 583 C GLY A 42 9.781 -10.946 -7.120 1.00 0.00 C ATOM 584 O GLY A 42 10.813 -10.318 -6.883 1.00 0.00 O ATOM 0 H GLY A 42 9.219 -9.576 -4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.205 -11.473 -5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.681 -10.481 -7.100 1.00 0.00 H new ATOM 588 N PHE A 43 9.724 -11.928 -8.021 1.00 0.00 N ATOM 589 CA PHE A 43 10.890 -12.371 -8.778 1.00 0.00 C ATOM 590 C PHE A 43 11.384 -11.292 -9.742 1.00 0.00 C ATOM 591 O PHE A 43 12.554 -11.301 -10.131 1.00 0.00 O ATOM 592 CB PHE A 43 10.505 -13.634 -9.549 1.00 0.00 C ATOM 593 CG PHE A 43 11.537 -14.064 -10.569 1.00 0.00 C ATOM 594 CD1 PHE A 43 12.721 -14.686 -10.155 1.00 0.00 C ATOM 595 CD2 PHE A 43 11.308 -13.827 -11.932 1.00 0.00 C ATOM 596 CE1 PHE A 43 13.682 -15.065 -11.106 1.00 0.00 C ATOM 597 CE2 PHE A 43 12.269 -14.201 -12.883 1.00 0.00 C ATOM 598 CZ PHE A 43 13.459 -14.812 -12.468 1.00 0.00 C ATOM 0 H PHE A 43 8.868 -12.436 -8.244 1.00 0.00 H new ATOM 0 HA PHE A 43 11.707 -12.577 -8.087 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.347 -14.447 -8.841 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.555 -13.464 -10.056 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.895 -14.874 -9.106 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.390 -13.356 -12.250 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.593 -15.551 -10.789 1.00 0.00 H new ATOM 0 HE2 PHE A 43 12.092 -14.018 -13.933 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.206 -15.089 -13.197 1.00 0.00 H new ATOM 608 N LEU A 44 10.510 -10.356 -10.131 1.00 0.00 N ATOM 609 CA LEU A 44 10.859 -9.310 -11.083 1.00 0.00 C ATOM 610 C LEU A 44 10.117 -8.005 -10.773 1.00 0.00 C ATOM 611 O LEU A 44 9.948 -7.154 -11.644 1.00 0.00 O ATOM 612 CB LEU A 44 10.578 -9.832 -12.499 1.00 0.00 C ATOM 613 CG LEU A 44 11.338 -9.078 -13.597 1.00 0.00 C ATOM 614 CD1 LEU A 44 12.851 -9.249 -13.451 1.00 0.00 C ATOM 615 CD2 LEU A 44 10.925 -9.645 -14.955 1.00 0.00 C ATOM 0 H LEU A 44 9.549 -10.307 -9.794 1.00 0.00 H new ATOM 0 HA LEU A 44 11.919 -9.068 -11.005 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.843 -10.888 -12.546 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.508 -9.762 -12.697 1.00 0.00 H new ATOM 0 HG LEU A 44 11.095 -8.019 -13.513 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.357 -8.701 -14.246 1.00 0.00 H new ATOM 0 HD12 LEU A 44 13.169 -8.861 -12.483 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.106 -10.307 -13.520 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.458 -9.118 -15.747 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.171 -10.706 -14.996 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.851 -9.516 -15.092 1.00 0.00 H new ATOM 627 N GLY A 45 9.659 -7.843 -9.524 1.00 0.00 N ATOM 628 CA GLY A 45 8.940 -6.646 -9.104 1.00 0.00 C ATOM 629 C GLY A 45 7.496 -6.634 -9.612 1.00 0.00 C ATOM 630 O GLY A 45 6.870 -5.577 -9.655 1.00 0.00 O ATOM 0 H GLY A 45 9.778 -8.536 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.942 -6.586 -8.016 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.461 -5.762 -9.473 1.00 0.00 H new ATOM 634 N THR A 46 6.969 -7.798 -9.998 1.00 0.00 N ATOM 635 CA THR A 46 5.647 -7.923 -10.601 1.00 0.00 C ATOM 636 C THR A 46 4.513 -7.938 -9.575 1.00 0.00 C ATOM 637 O THR A 46 3.363 -8.169 -9.948 1.00 0.00 O ATOM 638 CB THR A 46 5.597 -9.176 -11.483 1.00 0.00 C ATOM 639 OG1 THR A 46 6.020 -10.300 -10.743 1.00 0.00 O ATOM 640 CG2 THR A 46 6.512 -8.999 -12.692 1.00 0.00 C ATOM 0 H THR A 46 7.456 -8.688 -9.898 1.00 0.00 H new ATOM 0 HA THR A 46 5.488 -7.034 -11.211 1.00 0.00 H new ATOM 0 HB THR A 46 4.572 -9.326 -11.822 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.984 -11.098 -11.311 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.471 -9.893 -13.314 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.184 -8.138 -13.274 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.536 -8.839 -12.353 1.00 0.00 H new ATOM 648 N THR A 47 4.804 -7.698 -8.295 1.00 0.00 N ATOM 649 CA THR A 47 3.788 -7.709 -7.250 1.00 0.00 C ATOM 650 C THR A 47 3.882 -6.442 -6.407 1.00 0.00 C ATOM 651 O THR A 47 4.974 -5.924 -6.185 1.00 0.00 O ATOM 652 CB THR A 47 3.948 -8.957 -6.378 1.00 0.00 C ATOM 653 OG1 THR A 47 3.912 -10.108 -7.196 1.00 0.00 O ATOM 654 CG2 THR A 47 2.829 -9.064 -5.346 1.00 0.00 C ATOM 0 H THR A 47 5.745 -7.492 -7.959 1.00 0.00 H new ATOM 0 HA THR A 47 2.802 -7.736 -7.713 1.00 0.00 H new ATOM 0 HB THR A 47 4.902 -8.880 -5.856 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.016 -10.908 -6.640 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.974 -9.961 -4.744 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.845 -8.187 -4.699 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.868 -9.121 -5.856 1.00 0.00 H new ATOM 662 N CYS A 48 2.736 -5.942 -5.939 1.00 0.00 N ATOM 663 CA CYS A 48 2.658 -4.764 -5.088 1.00 0.00 C ATOM 664 C CYS A 48 2.607 -5.175 -3.618 1.00 0.00 C ATOM 665 O CYS A 48 1.965 -6.167 -3.275 1.00 0.00 O ATOM 666 CB CYS A 48 1.418 -3.956 -5.476 1.00 0.00 C ATOM 667 SG CYS A 48 1.044 -2.559 -4.383 1.00 0.00 S ATOM 0 H CYS A 48 1.826 -6.354 -6.147 1.00 0.00 H new ATOM 0 HA CYS A 48 3.545 -4.146 -5.227 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.550 -3.579 -6.490 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.557 -4.625 -5.494 1.00 0.00 H new ATOM 672 N THR A 49 3.281 -4.412 -2.757 1.00 0.00 N ATOM 673 CA THR A 49 3.290 -4.648 -1.318 1.00 0.00 C ATOM 674 C THR A 49 3.306 -3.317 -0.571 1.00 0.00 C ATOM 675 O THR A 49 3.916 -2.352 -1.032 1.00 0.00 O ATOM 676 CB THR A 49 4.511 -5.493 -0.949 1.00 0.00 C ATOM 677 OG1 THR A 49 4.448 -6.722 -1.638 1.00 0.00 O ATOM 678 CG2 THR A 49 4.555 -5.796 0.547 1.00 0.00 C ATOM 0 H THR A 49 3.839 -3.608 -3.043 1.00 0.00 H new ATOM 0 HA THR A 49 2.389 -5.189 -1.030 1.00 0.00 H new ATOM 0 HB THR A 49 5.401 -4.927 -1.222 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.258 -6.837 -2.177 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.436 -6.398 0.771 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.602 -4.862 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.658 -6.345 0.834 1.00 0.00 H new ATOM 686 N CYS A 50 2.636 -3.260 0.583 1.00 0.00 N ATOM 687 CA CYS A 50 2.528 -2.042 1.374 1.00 0.00 C ATOM 688 C CYS A 50 3.536 -2.031 2.522 1.00 0.00 C ATOM 689 O CYS A 50 4.109 -3.064 2.870 1.00 0.00 O ATOM 690 CB CYS A 50 1.094 -1.884 1.886 1.00 0.00 C ATOM 691 SG CYS A 50 -0.192 -1.895 0.608 1.00 0.00 S ATOM 0 H CYS A 50 2.154 -4.061 0.991 1.00 0.00 H new ATOM 0 HA CYS A 50 2.766 -1.190 0.737 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.888 -2.688 2.592 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.025 -0.948 2.440 1.00 0.00 H new ATOM 696 N ILE A 51 3.747 -0.849 3.110 1.00 0.00 N ATOM 697 CA ILE A 51 4.705 -0.635 4.188 1.00 0.00 C ATOM 698 C ILE A 51 3.969 -0.213 5.456 1.00 0.00 C ATOM 699 O ILE A 51 3.065 0.616 5.400 1.00 0.00 O ATOM 700 CB ILE A 51 5.704 0.449 3.762 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.431 0.084 2.463 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.719 0.715 4.873 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.273 -1.185 2.583 1.00 0.00 C ATOM 0 H ILE A 51 3.246 -0.002 2.842 1.00 0.00 H new ATOM 0 HA ILE A 51 5.245 -1.559 4.393 1.00 0.00 H new ATOM 0 HB ILE A 51 5.130 1.357 3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.697 -0.048 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.074 0.913 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.418 1.487 4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.198 1.050 5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.267 -0.202 5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.762 -1.389 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.029 -1.048 3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.630 -2.024 2.848 1.00 0.00 H new ATOM 715 N ASN A 52 4.359 -0.784 6.597 1.00 0.00 N ATOM 716 CA ASN A 52 3.735 -0.497 7.881 1.00 0.00 C ATOM 717 C ASN A 52 4.082 0.917 8.362 1.00 0.00 C ATOM 718 O ASN A 52 5.076 1.488 7.915 1.00 0.00 O ATOM 719 CB ASN A 52 4.188 -1.562 8.884 1.00 0.00 C ATOM 720 CG ASN A 52 5.691 -1.517 9.115 1.00 0.00 C ATOM 721 OD1 ASN A 52 6.454 -2.163 8.402 1.00 0.00 O ATOM 722 ND2 ASN A 52 6.132 -0.756 10.111 1.00 0.00 N ATOM 0 H ASN A 52 5.120 -1.461 6.652 1.00 0.00 H new ATOM 0 HA ASN A 52 2.650 -0.531 7.782 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.670 -1.413 9.831 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.906 -2.549 8.518 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.132 -0.696 10.302 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.470 -0.232 10.684 1.00 0.00 H new ATOM 729 N PRO A 53 3.288 1.502 9.270 1.00 0.00 N ATOM 730 CA PRO A 53 2.065 0.962 9.854 1.00 0.00 C ATOM 731 C PRO A 53 0.949 0.767 8.831 1.00 0.00 C ATOM 732 O PRO A 53 0.983 1.346 7.748 1.00 0.00 O ATOM 733 CB PRO A 53 1.628 1.978 10.915 1.00 0.00 C ATOM 734 CG PRO A 53 2.897 2.770 11.211 1.00 0.00 C ATOM 735 CD PRO A 53 3.576 2.797 9.849 1.00 0.00 C ATOM 0 HA PRO A 53 2.260 -0.028 10.267 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.831 2.624 10.545 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.248 1.483 11.809 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.676 3.773 11.577 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.515 2.284 11.966 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.187 3.604 9.228 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.650 2.958 9.945 1.00 0.00 H new ATOM 743 N CYS A 54 -0.044 -0.057 9.186 1.00 0.00 N ATOM 744 CA CYS A 54 -1.206 -0.325 8.353 1.00 0.00 C ATOM 745 C CYS A 54 -2.473 -0.391 9.213 1.00 0.00 C ATOM 746 O CYS A 54 -3.034 -1.471 9.408 1.00 0.00 O ATOM 747 CB CYS A 54 -1.004 -1.636 7.592 1.00 0.00 C ATOM 748 SG CYS A 54 0.218 -1.605 6.253 1.00 0.00 S ATOM 0 H CYS A 54 -0.056 -0.560 10.073 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.324 0.485 7.633 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.710 -2.405 8.306 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.963 -1.940 7.173 1.00 0.00 H new ATOM 753 N PRO A 55 -2.943 0.749 9.737 1.00 0.00 N ATOM 754 CA PRO A 55 -4.155 0.828 10.537 1.00 0.00 C ATOM 755 C PRO A 55 -5.396 0.485 9.713 1.00 0.00 C ATOM 756 O PRO A 55 -5.353 0.455 8.484 1.00 0.00 O ATOM 757 CB PRO A 55 -4.207 2.271 11.041 1.00 0.00 C ATOM 758 CG PRO A 55 -3.456 3.040 9.958 1.00 0.00 C ATOM 759 CD PRO A 55 -2.343 2.063 9.593 1.00 0.00 C ATOM 0 HA PRO A 55 -4.142 0.110 11.357 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.233 2.624 11.149 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.729 2.376 12.015 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.093 3.271 9.104 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.063 3.987 10.328 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.990 2.228 8.575 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.482 2.179 10.252 1.00 0.00 H new ATOM 767 N ARG A 56 -6.518 0.223 10.395 1.00 0.00 N ATOM 768 CA ARG A 56 -7.762 -0.164 9.740 1.00 0.00 C ATOM 769 C ARG A 56 -8.465 1.044 9.124 1.00 0.00 C ATOM 770 O ARG A 56 -8.144 2.190 9.440 1.00 0.00 O ATOM 771 CB ARG A 56 -8.666 -0.895 10.731 1.00 0.00 C ATOM 772 CG ARG A 56 -7.976 -2.156 11.264 1.00 0.00 C ATOM 773 CD ARG A 56 -8.953 -2.958 12.117 1.00 0.00 C ATOM 774 NE ARG A 56 -8.315 -4.151 12.687 1.00 0.00 N ATOM 775 CZ ARG A 56 -8.949 -5.049 13.447 1.00 0.00 C ATOM 776 NH1 ARG A 56 -10.236 -4.897 13.743 1.00 0.00 N ATOM 777 NH2 ARG A 56 -8.293 -6.106 13.919 1.00 0.00 N ATOM 0 H ARG A 56 -6.583 0.275 11.412 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.528 -0.845 8.922 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.916 -0.233 11.560 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.604 -1.165 10.245 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.619 -2.765 10.433 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.103 -1.881 11.856 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.336 -2.330 12.921 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.808 -3.256 11.510 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.326 -4.304 12.491 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.749 -4.089 13.389 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.711 -5.588 14.324 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.305 -6.232 13.701 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.779 -6.790 14.499 1.00 0.00 H new ATOM 791 N CYS A 57 -9.429 0.778 8.240 1.00 0.00 N ATOM 792 CA CYS A 57 -10.186 1.805 7.538 1.00 0.00 C ATOM 793 C CYS A 57 -11.596 1.312 7.194 1.00 0.00 C ATOM 794 O CYS A 57 -12.448 2.186 6.922 1.00 0.00 O ATOM 795 CB CYS A 57 -9.416 2.206 6.281 1.00 0.00 C ATOM 796 SG CYS A 57 -9.073 0.837 5.148 1.00 0.00 S ATOM 797 OXT CYS A 57 -11.809 0.081 7.203 1.00 0.00 O ATOM 0 H CYS A 57 -9.706 -0.172 7.991 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.305 2.676 8.182 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.985 2.969 5.749 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.471 2.662 6.578 1.00 0.00 H new TER 802 CYS A 57