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 -135:sc= 0.428 USER MOD Set 1.2: A 49 THR OG1 : rot -170:sc= 0.402 USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.0906 (180deg=-0.0906) USER MOD Single : A 2 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.19) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0115 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= -0.155 K(o=-0.16,f=-1.1) USER MOD Single : A 21 HIS : no HD1:sc= -0.0667 X(o=-0.067,f=-0.17) USER MOD Single : A 24 SER OG : rot -96:sc= 0.161 USER MOD Single : A 26 HIS : no HE2:sc= 0.0487 K(o=0.049,f=-3.4!) USER MOD Single : A 36 SER OG : rot -160:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.427 K(o=0.43,f=-7.8!) USER MOD Single : A 39 GLN : amide:sc= -0.942 X(o=-0.94,f=-0.75) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0194 K(o=-0.019,f=-0.52) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -17.426 -1.845 -0.070 1.00 0.00 N HETATM 2 CA PCA A 1 -16.886 -1.432 -1.350 1.00 0.00 C HETATM 3 CB PCA A 1 -18.128 -1.041 -2.161 1.00 0.00 C HETATM 4 CG PCA A 1 -19.197 -1.968 -1.570 1.00 0.00 C HETATM 5 CD PCA A 1 -18.705 -2.196 -0.153 1.00 0.00 C HETATM 6 OE PCA A 1 -19.404 -2.631 0.759 1.00 0.00 O HETATM 7 C PCA A 1 -15.893 -0.275 -1.227 1.00 0.00 C HETATM 8 O PCA A 1 -15.294 0.126 -2.219 1.00 0.00 O HETATM 0 H2 PCA A 1 -18.092 -2.631 -0.212 1.00 0.00 H new HETATM 0 HA PCA A 1 -16.305 -2.223 -1.824 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -18.384 0.011 -2.034 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -17.988 -1.208 -3.229 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -20.184 -1.507 -1.585 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -19.273 -2.902 -2.126 1.00 0.00 H new ATOM 14 N ASN A 2 -15.725 0.256 -0.011 1.00 0.00 N ATOM 15 CA ASN A 2 -14.797 1.348 0.254 1.00 0.00 C ATOM 16 C ASN A 2 -13.355 0.837 0.336 1.00 0.00 C ATOM 17 O ASN A 2 -12.428 1.620 0.541 1.00 0.00 O ATOM 18 CB ASN A 2 -15.230 2.058 1.539 1.00 0.00 C ATOM 19 CG ASN A 2 -14.405 3.307 1.812 1.00 0.00 C ATOM 20 OD1 ASN A 2 -13.601 3.343 2.735 1.00 0.00 O ATOM 21 ND2 ASN A 2 -14.599 4.348 1.005 1.00 0.00 N ATOM 0 H ASN A 2 -16.232 -0.063 0.815 1.00 0.00 H new ATOM 0 HA ASN A 2 -14.822 2.063 -0.568 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -16.283 2.329 1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -15.136 1.372 2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -14.070 5.209 1.146 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -15.277 4.285 0.245 1.00 0.00 H new ATOM 28 N CYS A 3 -13.162 -0.474 0.180 1.00 0.00 N ATOM 29 CA CYS A 3 -11.852 -1.103 0.234 1.00 0.00 C ATOM 30 C CYS A 3 -11.792 -2.289 -0.730 1.00 0.00 C ATOM 31 O CYS A 3 -11.990 -3.436 -0.323 1.00 0.00 O ATOM 32 CB CYS A 3 -11.553 -1.532 1.671 1.00 0.00 C ATOM 33 SG CYS A 3 -12.893 -2.405 2.518 1.00 0.00 S ATOM 0 H CYS A 3 -13.923 -1.132 0.011 1.00 0.00 H new ATOM 0 HA CYS A 3 -11.089 -0.389 -0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.672 -2.174 1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -11.297 -0.645 2.251 1.00 0.00 H new ATOM 38 N PRO A 4 -11.519 -2.018 -2.016 1.00 0.00 N ATOM 39 CA PRO A 4 -11.391 -3.025 -3.058 1.00 0.00 C ATOM 40 C PRO A 4 -10.062 -3.771 -2.955 1.00 0.00 C ATOM 41 O PRO A 4 -9.227 -3.465 -2.102 1.00 0.00 O ATOM 42 CB PRO A 4 -11.474 -2.239 -4.366 1.00 0.00 C ATOM 43 CG PRO A 4 -10.850 -0.898 -3.998 1.00 0.00 C ATOM 44 CD PRO A 4 -11.320 -0.685 -2.561 1.00 0.00 C ATOM 0 HA PRO A 4 -12.165 -3.789 -2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.927 -2.732 -5.169 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.504 -2.126 -4.705 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.763 -0.926 -4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.191 -0.099 -4.657 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.579 -0.132 -1.984 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.244 -0.107 -2.532 1.00 0.00 H new ATOM 52 N THR A 5 -9.868 -4.754 -3.839 1.00 0.00 N ATOM 53 CA THR A 5 -8.637 -5.527 -3.913 1.00 0.00 C ATOM 54 C THR A 5 -7.994 -5.323 -5.282 1.00 0.00 C ATOM 55 O THR A 5 -8.687 -5.353 -6.296 1.00 0.00 O ATOM 56 CB THR A 5 -8.933 -7.015 -3.687 1.00 0.00 C ATOM 57 OG1 THR A 5 -9.687 -7.184 -2.508 1.00 0.00 O ATOM 58 CG2 THR A 5 -7.641 -7.819 -3.556 1.00 0.00 C ATOM 0 H THR A 5 -10.569 -5.033 -4.525 1.00 0.00 H new ATOM 0 HA THR A 5 -7.951 -5.188 -3.137 1.00 0.00 H new ATOM 0 HB THR A 5 -9.494 -7.375 -4.549 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.873 -8.137 -2.372 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.881 -8.870 -3.397 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.054 -7.715 -4.468 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.065 -7.446 -2.709 1.00 0.00 H new ATOM 66 N ARG A 6 -6.674 -5.111 -5.317 1.00 0.00 N ATOM 67 CA ARG A 6 -5.930 -4.929 -6.557 1.00 0.00 C ATOM 68 C ARG A 6 -4.584 -5.638 -6.469 1.00 0.00 C ATOM 69 O ARG A 6 -3.987 -5.708 -5.396 1.00 0.00 O ATOM 70 CB ARG A 6 -5.710 -3.435 -6.814 1.00 0.00 C ATOM 71 CG ARG A 6 -7.008 -2.658 -7.053 1.00 0.00 C ATOM 72 CD ARG A 6 -7.661 -3.087 -8.370 1.00 0.00 C ATOM 73 NE ARG A 6 -8.820 -2.247 -8.691 1.00 0.00 N ATOM 74 CZ ARG A 6 -10.089 -2.560 -8.411 1.00 0.00 C ATOM 75 NH1 ARG A 6 -10.394 -3.683 -7.768 1.00 0.00 N ATOM 76 NH2 ARG A 6 -11.067 -1.740 -8.783 1.00 0.00 N ATOM 0 H ARG A 6 -6.094 -5.062 -4.479 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.503 -5.357 -7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.188 -3.001 -5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.060 -3.316 -7.681 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.698 -2.829 -6.227 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.798 -1.589 -7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.931 -3.026 -9.177 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.973 -4.129 -8.301 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.645 -1.359 -9.162 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.654 -4.323 -7.480 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.368 -3.905 -7.563 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.847 -0.877 -9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.037 -1.974 -8.572 1.00 0.00 H new ATOM 90 N ARG A 7 -4.112 -6.161 -7.604 1.00 0.00 N ATOM 91 CA ARG A 7 -2.832 -6.850 -7.732 1.00 0.00 C ATOM 92 C ARG A 7 -2.206 -6.481 -9.076 1.00 0.00 C ATOM 93 O ARG A 7 -2.896 -6.000 -9.974 1.00 0.00 O ATOM 94 CB ARG A 7 -3.045 -8.368 -7.676 1.00 0.00 C ATOM 95 CG ARG A 7 -3.524 -8.909 -6.323 1.00 0.00 C ATOM 96 CD ARG A 7 -2.406 -8.937 -5.273 1.00 0.00 C ATOM 97 NE ARG A 7 -2.142 -7.607 -4.718 1.00 0.00 N ATOM 98 CZ ARG A 7 -1.043 -7.274 -4.035 1.00 0.00 C ATOM 99 NH1 ARG A 7 -0.077 -8.162 -3.815 1.00 0.00 N ATOM 100 NH2 ARG A 7 -0.907 -6.040 -3.564 1.00 0.00 N ATOM 0 H ARG A 7 -4.628 -6.113 -8.483 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.176 -6.551 -6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.773 -8.645 -8.439 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.108 -8.860 -7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.345 -8.292 -5.959 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.918 -9.917 -6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.682 -9.618 -4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.495 -9.329 -5.724 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.847 -6.884 -4.863 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.169 -9.114 -4.170 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.755 -7.891 -3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.640 -5.349 -3.724 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.069 -5.783 -3.042 1.00 0.00 H new ATOM 114 N GLY A 8 -0.894 -6.707 -9.216 1.00 0.00 N ATOM 115 CA GLY A 8 -0.186 -6.469 -10.467 1.00 0.00 C ATOM 116 C GLY A 8 -0.038 -4.986 -10.795 1.00 0.00 C ATOM 117 O GLY A 8 0.296 -4.642 -11.927 1.00 0.00 O ATOM 0 H GLY A 8 -0.301 -7.059 -8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.803 -6.924 -10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.718 -6.964 -11.279 1.00 0.00 H new ATOM 121 N LEU A 9 -0.282 -4.102 -9.818 1.00 0.00 N ATOM 122 CA LEU A 9 -0.217 -2.658 -10.021 1.00 0.00 C ATOM 123 C LEU A 9 1.158 -2.222 -10.522 1.00 0.00 C ATOM 124 O LEU A 9 1.268 -1.195 -11.188 1.00 0.00 O ATOM 125 CB LEU A 9 -0.541 -1.957 -8.700 1.00 0.00 C ATOM 126 CG LEU A 9 -1.999 -2.170 -8.276 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.195 -1.631 -6.864 1.00 0.00 C ATOM 128 CD2 LEU A 9 -2.955 -1.429 -9.209 1.00 0.00 C ATOM 0 H LEU A 9 -0.530 -4.373 -8.866 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.945 -2.380 -10.783 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.121 -2.331 -7.920 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.345 -0.889 -8.799 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.214 -3.238 -8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.230 -1.780 -6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.534 -2.160 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.961 -0.567 -6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.982 -1.597 -8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.736 -0.362 -9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.830 -1.799 -10.227 1.00 0.00 H new ATOM 140 N CYS A 10 2.203 -2.990 -10.213 1.00 0.00 N ATOM 141 CA CYS A 10 3.567 -2.658 -10.607 1.00 0.00 C ATOM 142 C CYS A 10 3.816 -2.937 -12.092 1.00 0.00 C ATOM 143 O CYS A 10 4.892 -2.639 -12.607 1.00 0.00 O ATOM 144 CB CYS A 10 4.529 -3.444 -9.713 1.00 0.00 C ATOM 145 SG CYS A 10 6.279 -3.003 -9.884 1.00 0.00 S ATOM 0 H CYS A 10 2.125 -3.858 -9.683 1.00 0.00 H new ATOM 0 HA CYS A 10 3.734 -1.589 -10.473 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.234 -3.298 -8.674 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.416 -4.506 -9.931 1.00 0.00 H new ATOM 150 N VAL A 11 2.826 -3.508 -12.792 1.00 0.00 N ATOM 151 CA VAL A 11 2.958 -3.861 -14.202 1.00 0.00 C ATOM 152 C VAL A 11 1.877 -3.197 -15.050 1.00 0.00 C ATOM 153 O VAL A 11 2.091 -2.955 -16.236 1.00 0.00 O ATOM 154 CB VAL A 11 2.881 -5.388 -14.335 1.00 0.00 C ATOM 155 CG1 VAL A 11 3.108 -5.831 -15.781 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.947 -6.053 -13.469 1.00 0.00 C ATOM 0 H VAL A 11 1.915 -3.735 -12.393 1.00 0.00 H new ATOM 0 HA VAL A 11 3.919 -3.501 -14.569 1.00 0.00 H new ATOM 0 HB VAL A 11 1.884 -5.687 -14.011 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.047 -6.918 -15.842 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.345 -5.388 -16.421 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.094 -5.503 -16.111 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.879 -7.136 -13.575 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.935 -5.719 -13.787 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.790 -5.780 -12.425 1.00 0.00 H new ATOM 166 N THR A 12 0.716 -2.899 -14.459 1.00 0.00 N ATOM 167 CA THR A 12 -0.395 -2.310 -15.197 1.00 0.00 C ATOM 168 C THR A 12 -0.379 -0.787 -15.151 1.00 0.00 C ATOM 169 O THR A 12 -0.980 -0.143 -16.008 1.00 0.00 O ATOM 170 CB THR A 12 -1.719 -2.837 -14.642 1.00 0.00 C ATOM 171 OG1 THR A 12 -1.817 -2.538 -13.267 1.00 0.00 O ATOM 172 CG2 THR A 12 -1.815 -4.348 -14.837 1.00 0.00 C ATOM 0 H THR A 12 0.525 -3.058 -13.470 1.00 0.00 H new ATOM 0 HA THR A 12 -0.287 -2.601 -16.242 1.00 0.00 H new ATOM 0 HB THR A 12 -2.535 -2.355 -15.181 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.668 -2.877 -12.918 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.763 -4.707 -14.437 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.758 -4.582 -15.900 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.992 -4.835 -14.314 1.00 0.00 H new ATOM 180 N SER A 13 0.306 -0.208 -14.158 1.00 0.00 N ATOM 181 CA SER A 13 0.389 1.236 -13.994 1.00 0.00 C ATOM 182 C SER A 13 1.738 1.687 -13.437 1.00 0.00 C ATOM 183 O SER A 13 2.124 2.842 -13.617 1.00 0.00 O ATOM 184 CB SER A 13 -0.706 1.654 -13.019 1.00 0.00 C ATOM 185 OG SER A 13 -1.973 1.615 -13.640 1.00 0.00 O ATOM 0 H SER A 13 0.817 -0.734 -13.448 1.00 0.00 H new ATOM 0 HA SER A 13 0.271 1.700 -14.973 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.700 0.992 -12.153 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.507 2.661 -12.652 1.00 0.00 H new ATOM 0 HG SER A 13 -2.661 1.885 -12.997 1.00 0.00 H new ATOM 191 N GLY A 14 2.457 0.790 -12.760 1.00 0.00 N ATOM 192 CA GLY A 14 3.771 1.071 -12.194 1.00 0.00 C ATOM 193 C GLY A 14 3.703 1.243 -10.680 1.00 0.00 C ATOM 194 O GLY A 14 2.629 1.163 -10.080 1.00 0.00 O ATOM 0 H GLY A 14 2.136 -0.163 -12.589 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.455 0.258 -12.438 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.177 1.976 -12.646 1.00 0.00 H new ATOM 198 N LEU A 15 4.860 1.484 -10.052 1.00 0.00 N ATOM 199 CA LEU A 15 4.965 1.619 -8.605 1.00 0.00 C ATOM 200 C LEU A 15 4.073 2.741 -8.076 1.00 0.00 C ATOM 201 O LEU A 15 3.629 2.683 -6.929 1.00 0.00 O ATOM 202 CB LEU A 15 6.436 1.883 -8.265 1.00 0.00 C ATOM 203 CG LEU A 15 6.663 2.174 -6.780 1.00 0.00 C ATOM 204 CD1 LEU A 15 6.224 1.002 -5.900 1.00 0.00 C ATOM 205 CD2 LEU A 15 8.149 2.436 -6.541 1.00 0.00 C ATOM 0 H LEU A 15 5.749 1.590 -10.540 1.00 0.00 H new ATOM 0 HA LEU A 15 4.623 0.702 -8.126 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.031 1.017 -8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.794 2.728 -8.854 1.00 0.00 H new ATOM 0 HG LEU A 15 6.066 3.046 -6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.401 1.247 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.162 0.810 -6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.796 0.113 -6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.316 2.644 -5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.725 1.558 -6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.467 3.293 -7.134 1.00 0.00 H new ATOM 217 N THR A 16 3.798 3.761 -8.890 1.00 0.00 N ATOM 218 CA THR A 16 2.978 4.892 -8.473 1.00 0.00 C ATOM 219 C THR A 16 1.562 4.448 -8.121 1.00 0.00 C ATOM 220 O THR A 16 0.937 5.028 -7.236 1.00 0.00 O ATOM 221 CB THR A 16 2.942 5.933 -9.596 1.00 0.00 C ATOM 222 OG1 THR A 16 4.262 6.241 -9.996 1.00 0.00 O ATOM 223 CG2 THR A 16 2.259 7.218 -9.135 1.00 0.00 C ATOM 0 H THR A 16 4.136 3.824 -9.850 1.00 0.00 H new ATOM 0 HA THR A 16 3.420 5.331 -7.579 1.00 0.00 H new ATOM 0 HB THR A 16 2.378 5.512 -10.428 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.239 6.906 -10.716 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.248 7.938 -9.953 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.235 6.998 -8.832 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.805 7.637 -8.290 1.00 0.00 H new ATOM 231 N ALA A 17 1.041 3.419 -8.797 1.00 0.00 N ATOM 232 CA ALA A 17 -0.301 2.936 -8.520 1.00 0.00 C ATOM 233 C ALA A 17 -0.303 2.017 -7.304 1.00 0.00 C ATOM 234 O ALA A 17 -1.297 1.945 -6.585 1.00 0.00 O ATOM 235 CB ALA A 17 -0.832 2.215 -9.755 1.00 0.00 C ATOM 0 H ALA A 17 1.531 2.912 -9.534 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.953 3.779 -8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.839 1.848 -9.557 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.856 2.906 -10.598 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.180 1.374 -9.994 1.00 0.00 H new ATOM 241 N CYS A 18 0.810 1.316 -7.068 1.00 0.00 N ATOM 242 CA CYS A 18 0.959 0.484 -5.885 1.00 0.00 C ATOM 243 C CYS A 18 1.079 1.371 -4.647 1.00 0.00 C ATOM 244 O CYS A 18 0.646 0.996 -3.557 1.00 0.00 O ATOM 245 CB CYS A 18 2.200 -0.393 -6.078 1.00 0.00 C ATOM 246 SG CYS A 18 2.649 -1.400 -4.640 1.00 0.00 S ATOM 0 H CYS A 18 1.620 1.313 -7.687 1.00 0.00 H new ATOM 0 HA CYS A 18 0.090 -0.158 -5.742 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.032 -1.054 -6.929 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.044 0.247 -6.333 1.00 0.00 H new ATOM 251 N ARG A 19 1.670 2.559 -4.812 1.00 0.00 N ATOM 252 CA ARG A 19 1.858 3.505 -3.721 1.00 0.00 C ATOM 253 C ARG A 19 0.565 4.250 -3.412 1.00 0.00 C ATOM 254 O ARG A 19 0.320 4.621 -2.267 1.00 0.00 O ATOM 255 CB ARG A 19 2.976 4.469 -4.114 1.00 0.00 C ATOM 256 CG ARG A 19 3.585 5.139 -2.881 1.00 0.00 C ATOM 257 CD ARG A 19 4.715 6.065 -3.318 1.00 0.00 C ATOM 258 NE ARG A 19 5.491 6.533 -2.165 1.00 0.00 N ATOM 259 CZ ARG A 19 6.294 7.599 -2.179 1.00 0.00 C ATOM 260 NH1 ARG A 19 6.434 8.336 -3.280 1.00 0.00 N ATOM 261 NH2 ARG A 19 6.966 7.932 -1.084 1.00 0.00 N ATOM 0 H ARG A 19 2.030 2.887 -5.709 1.00 0.00 H new ATOM 0 HA ARG A 19 2.136 2.973 -2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.751 3.929 -4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.584 5.230 -4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.822 5.705 -2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.964 4.384 -2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.371 5.540 -4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.302 6.920 -3.853 1.00 0.00 H new ATOM 0 HE ARG A 19 5.412 6.009 -1.294 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.924 8.088 -4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.051 9.148 -3.275 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.868 7.374 -0.236 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.581 8.746 -1.091 1.00 0.00 H new ATOM 275 N ASN A 20 -0.267 4.469 -4.433 1.00 0.00 N ATOM 276 CA ASN A 20 -1.561 5.115 -4.258 1.00 0.00 C ATOM 277 C ASN A 20 -2.600 4.135 -3.713 1.00 0.00 C ATOM 278 O ASN A 20 -3.584 4.562 -3.116 1.00 0.00 O ATOM 279 CB ASN A 20 -2.018 5.695 -5.598 1.00 0.00 C ATOM 280 CG ASN A 20 -1.131 6.838 -6.075 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.291 7.346 -5.338 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.314 7.249 -7.326 1.00 0.00 N ATOM 0 H ASN A 20 -0.061 4.204 -5.396 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.458 5.919 -3.529 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.022 4.905 -6.349 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.044 6.051 -5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.747 8.009 -7.701 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.021 6.804 -7.911 1.00 0.00 H new ATOM 289 N HIS A 21 -2.393 2.827 -3.911 1.00 0.00 N ATOM 290 CA HIS A 21 -3.311 1.814 -3.416 1.00 0.00 C ATOM 291 C HIS A 21 -3.045 1.497 -1.945 1.00 0.00 C ATOM 292 O HIS A 21 -3.966 1.187 -1.192 1.00 0.00 O ATOM 293 CB HIS A 21 -3.160 0.560 -4.274 1.00 0.00 C ATOM 294 CG HIS A 21 -4.093 -0.550 -3.864 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.451 -0.608 -4.078 1.00 0.00 N ATOM 296 CD2 HIS A 21 -3.740 -1.698 -3.201 1.00 0.00 C ATOM 297 CE1 HIS A 21 -5.900 -1.763 -3.559 1.00 0.00 C ATOM 298 NE2 HIS A 21 -4.896 -2.468 -3.012 1.00 0.00 N ATOM 0 H HIS A 21 -1.590 2.452 -4.415 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.332 2.189 -3.484 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.345 0.816 -5.317 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.131 0.205 -4.210 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.743 -1.963 -2.880 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -6.932 -2.082 -3.579 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.961 -3.377 -2.553 1.00 0.00 H new ATOM 306 N CYS A 22 -1.778 1.573 -1.529 1.00 0.00 N ATOM 307 CA CYS A 22 -1.420 1.373 -0.132 1.00 0.00 C ATOM 308 C CYS A 22 -1.751 2.603 0.711 1.00 0.00 C ATOM 309 O CYS A 22 -1.930 2.475 1.920 1.00 0.00 O ATOM 310 CB CYS A 22 0.072 1.057 -0.040 1.00 0.00 C ATOM 311 SG CYS A 22 0.553 -0.549 -0.732 1.00 0.00 S ATOM 0 H CYS A 22 -0.988 1.772 -2.143 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.002 0.540 0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.627 1.840 -0.556 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.372 1.090 1.007 1.00 0.00 H new ATOM 316 N ARG A 23 -1.838 3.786 0.091 1.00 0.00 N ATOM 317 CA ARG A 23 -2.173 5.023 0.791 1.00 0.00 C ATOM 318 C ARG A 23 -3.683 5.259 0.830 1.00 0.00 C ATOM 319 O ARG A 23 -4.131 6.307 1.290 1.00 0.00 O ATOM 320 CB ARG A 23 -1.419 6.194 0.166 1.00 0.00 C ATOM 321 CG ARG A 23 0.051 6.148 0.590 1.00 0.00 C ATOM 322 CD ARG A 23 0.811 7.330 -0.006 1.00 0.00 C ATOM 323 NE ARG A 23 2.139 7.466 0.604 1.00 0.00 N ATOM 324 CZ ARG A 23 3.085 8.302 0.177 1.00 0.00 C ATOM 325 NH1 ARG A 23 2.881 9.078 -0.884 1.00 0.00 N ATOM 326 NH2 ARG A 23 4.251 8.362 0.816 1.00 0.00 N ATOM 0 H ARG A 23 -1.678 3.908 -0.909 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.855 4.934 1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.495 6.150 -0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.868 7.137 0.479 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.124 6.171 1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.503 5.213 0.260 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.914 7.194 -1.083 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.242 8.247 0.147 1.00 0.00 H new ATOM 0 HE ARG A 23 2.353 6.880 1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.992 9.038 -1.382 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.614 9.713 -1.200 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.418 7.769 1.629 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.978 9.000 0.492 1.00 0.00 H new ATOM 340 N SER A 24 -4.457 4.284 0.351 1.00 0.00 N ATOM 341 CA SER A 24 -5.910 4.303 0.424 1.00 0.00 C ATOM 342 C SER A 24 -6.384 3.003 1.066 1.00 0.00 C ATOM 343 O SER A 24 -5.607 2.058 1.203 1.00 0.00 O ATOM 344 CB SER A 24 -6.514 4.500 -0.971 1.00 0.00 C ATOM 345 OG SER A 24 -6.185 3.411 -1.809 1.00 0.00 O ATOM 0 H SER A 24 -4.083 3.451 -0.103 1.00 0.00 H new ATOM 0 HA SER A 24 -6.244 5.140 1.037 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.597 4.594 -0.895 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.143 5.428 -1.407 1.00 0.00 H new ATOM 0 HG SER A 24 -5.394 3.636 -2.342 1.00 0.00 H new ATOM 351 N CYS A 25 -7.656 2.945 1.466 1.00 0.00 N ATOM 352 CA CYS A 25 -8.165 1.750 2.115 1.00 0.00 C ATOM 353 C CYS A 25 -8.325 0.626 1.094 1.00 0.00 C ATOM 354 O CYS A 25 -8.895 0.828 0.023 1.00 0.00 O ATOM 355 CB CYS A 25 -9.472 2.060 2.846 1.00 0.00 C ATOM 356 SG CYS A 25 -9.305 3.438 4.012 1.00 0.00 S ATOM 0 H CYS A 25 -8.335 3.698 1.352 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.450 1.410 2.864 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -10.245 2.298 2.116 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.804 1.172 3.383 1.00 0.00 H new ATOM 361 N HIS A 26 -7.817 -0.556 1.444 1.00 0.00 N ATOM 362 CA HIS A 26 -7.828 -1.721 0.572 1.00 0.00 C ATOM 363 C HIS A 26 -8.072 -2.978 1.405 1.00 0.00 C ATOM 364 O HIS A 26 -8.052 -2.934 2.637 1.00 0.00 O ATOM 365 CB HIS A 26 -6.491 -1.787 -0.164 1.00 0.00 C ATOM 366 CG HIS A 26 -5.314 -1.705 0.772 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.516 -0.593 0.968 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.853 -2.702 1.584 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.590 -0.904 1.894 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.778 -2.183 2.280 1.00 0.00 N ATOM 0 H HIS A 26 -7.383 -0.729 2.351 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.630 -1.648 -0.163 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.437 -2.717 -0.730 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.436 -0.971 -0.885 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.612 0.305 0.494 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.252 -3.702 1.666 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.824 -0.240 2.266 1.00 0.00 H new ATOM 379 N ARG A 27 -8.312 -4.105 0.735 1.00 0.00 N ATOM 380 CA ARG A 27 -8.623 -5.356 1.410 1.00 0.00 C ATOM 381 C ARG A 27 -7.373 -5.973 2.032 1.00 0.00 C ATOM 382 O ARG A 27 -6.302 -5.954 1.427 1.00 0.00 O ATOM 383 CB ARG A 27 -9.270 -6.310 0.402 1.00 0.00 C ATOM 384 CG ARG A 27 -10.004 -7.469 1.085 1.00 0.00 C ATOM 385 CD ARG A 27 -11.150 -6.964 1.963 1.00 0.00 C ATOM 386 NE ARG A 27 -12.064 -6.109 1.199 1.00 0.00 N ATOM 387 CZ ARG A 27 -13.284 -6.453 0.785 1.00 0.00 C ATOM 388 NH1 ARG A 27 -13.797 -7.649 1.055 1.00 0.00 N ATOM 389 NH2 ARG A 27 -14.003 -5.581 0.088 1.00 0.00 N ATOM 0 H ARG A 27 -8.296 -4.173 -0.283 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.320 -5.165 2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.972 -5.755 -0.221 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.502 -6.709 -0.261 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.396 -8.150 0.329 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.301 -8.039 1.693 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.698 -7.812 2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.746 -6.406 2.808 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.739 -5.171 0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.255 -8.327 1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.733 -7.888 0.727 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.621 -4.660 -0.125 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.938 -5.833 -0.234 1.00 0.00 H new ATOM 403 N GLY A 28 -7.511 -6.518 3.243 1.00 0.00 N ATOM 404 CA GLY A 28 -6.433 -7.178 3.964 1.00 0.00 C ATOM 405 C GLY A 28 -6.723 -8.667 4.145 1.00 0.00 C ATOM 406 O GLY A 28 -7.640 -9.205 3.530 1.00 0.00 O ATOM 0 H GLY A 28 -8.393 -6.510 3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.497 -7.050 3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.303 -6.709 4.939 1.00 0.00 H new ATOM 410 N ASP A 29 -5.937 -9.333 4.997 1.00 0.00 N ATOM 411 CA ASP A 29 -6.054 -10.769 5.223 1.00 0.00 C ATOM 412 C ASP A 29 -7.119 -11.105 6.270 1.00 0.00 C ATOM 413 O ASP A 29 -7.570 -12.246 6.347 1.00 0.00 O ATOM 414 CB ASP A 29 -4.692 -11.301 5.660 1.00 0.00 C ATOM 415 CG ASP A 29 -4.676 -12.824 5.757 1.00 0.00 C ATOM 416 OD1 ASP A 29 -4.830 -13.471 4.697 1.00 0.00 O ATOM 417 OD2 ASP A 29 -4.507 -13.332 6.887 1.00 0.00 O ATOM 0 H ASP A 29 -5.203 -8.887 5.547 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.370 -11.244 4.294 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.931 -10.975 4.951 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.430 -10.874 6.628 1.00 0.00 H new ATOM 422 N VAL A 30 -7.524 -10.117 7.073 1.00 0.00 N ATOM 423 CA VAL A 30 -8.507 -10.312 8.136 1.00 0.00 C ATOM 424 C VAL A 30 -9.563 -9.200 8.143 1.00 0.00 C ATOM 425 O VAL A 30 -10.575 -9.307 8.836 1.00 0.00 O ATOM 426 CB VAL A 30 -7.763 -10.422 9.472 1.00 0.00 C ATOM 427 CG1 VAL A 30 -7.108 -9.090 9.855 1.00 0.00 C ATOM 428 CG2 VAL A 30 -8.700 -10.863 10.597 1.00 0.00 C ATOM 0 H VAL A 30 -7.178 -9.160 7.002 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.058 -11.236 7.962 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.987 -11.176 9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.588 -9.200 10.807 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.395 -8.800 9.084 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.875 -8.321 9.947 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.141 -10.931 11.530 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.504 -10.135 10.708 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.124 -11.838 10.356 1.00 0.00 H new ATOM 438 N GLY A 31 -9.338 -8.131 7.378 1.00 0.00 N ATOM 439 CA GLY A 31 -10.248 -6.998 7.298 1.00 0.00 C ATOM 440 C GLY A 31 -9.639 -5.903 6.435 1.00 0.00 C ATOM 441 O GLY A 31 -8.519 -6.056 5.948 1.00 0.00 O ATOM 0 H GLY A 31 -8.509 -8.031 6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.202 -7.316 6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.453 -6.614 8.297 1.00 0.00 H new ATOM 445 N CYS A 32 -10.356 -4.797 6.235 1.00 0.00 N ATOM 446 CA CYS A 32 -9.845 -3.701 5.426 1.00 0.00 C ATOM 447 C CYS A 32 -8.890 -2.820 6.228 1.00 0.00 C ATOM 448 O CYS A 32 -9.100 -2.573 7.415 1.00 0.00 O ATOM 449 CB CYS A 32 -10.994 -2.901 4.824 1.00 0.00 C ATOM 450 SG CYS A 32 -11.903 -3.839 3.567 1.00 0.00 S ATOM 0 H CYS A 32 -11.287 -4.641 6.622 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.269 -4.120 4.601 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.680 -2.602 5.617 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.603 -1.986 4.379 1.00 0.00 H new ATOM 455 N VAL A 33 -7.835 -2.351 5.556 1.00 0.00 N ATOM 456 CA VAL A 33 -6.775 -1.558 6.171 1.00 0.00 C ATOM 457 C VAL A 33 -6.236 -0.522 5.190 1.00 0.00 C ATOM 458 O VAL A 33 -6.530 -0.564 3.996 1.00 0.00 O ATOM 459 CB VAL A 33 -5.628 -2.472 6.635 1.00 0.00 C ATOM 460 CG1 VAL A 33 -6.095 -3.495 7.671 1.00 0.00 C ATOM 461 CG2 VAL A 33 -5.011 -3.223 5.454 1.00 0.00 C ATOM 0 H VAL A 33 -7.694 -2.515 4.559 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.196 -1.040 7.033 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.882 -1.821 7.091 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.253 -4.119 7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.490 -2.975 8.544 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.875 -4.121 7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.203 -3.861 5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.774 -3.837 4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.616 -2.507 4.734 1.00 0.00 H new ATOM 471 N ARG A 34 -5.435 0.413 5.709 1.00 0.00 N ATOM 472 CA ARG A 34 -4.748 1.435 4.928 1.00 0.00 C ATOM 473 C ARG A 34 -3.339 1.588 5.490 1.00 0.00 C ATOM 474 O ARG A 34 -3.141 1.356 6.679 1.00 0.00 O ATOM 475 CB ARG A 34 -5.527 2.749 4.980 1.00 0.00 C ATOM 476 CG ARG A 34 -5.696 3.253 6.415 1.00 0.00 C ATOM 477 CD ARG A 34 -6.529 4.532 6.424 1.00 0.00 C ATOM 478 NE ARG A 34 -6.783 4.987 7.792 1.00 0.00 N ATOM 479 CZ ARG A 34 -7.534 6.046 8.100 1.00 0.00 C ATOM 480 NH1 ARG A 34 -8.107 6.774 7.142 1.00 0.00 N ATOM 481 NH2 ARG A 34 -7.719 6.380 9.373 1.00 0.00 N ATOM 0 H ARG A 34 -5.244 0.478 6.709 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.685 1.145 3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.008 3.503 4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.508 2.608 4.526 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.181 2.489 7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.719 3.442 6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.008 5.312 5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.476 4.356 5.914 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.360 4.462 8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.973 6.524 6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.679 7.582 7.388 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.287 5.827 10.113 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.293 7.189 9.610 1.00 0.00 H new ATOM 495 N CYS A 35 -2.367 1.968 4.659 1.00 0.00 N ATOM 496 CA CYS A 35 -0.969 2.037 5.067 1.00 0.00 C ATOM 497 C CYS A 35 -0.359 3.403 4.748 1.00 0.00 C ATOM 498 O CYS A 35 -1.060 4.319 4.317 1.00 0.00 O ATOM 499 CB CYS A 35 -0.190 0.933 4.363 1.00 0.00 C ATOM 500 SG CYS A 35 -0.812 -0.759 4.574 1.00 0.00 S ATOM 0 H CYS A 35 -2.529 2.235 3.688 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.914 1.899 6.147 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.168 1.158 3.297 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.841 0.964 4.717 1.00 0.00 H new ATOM 505 N SER A 36 0.956 3.536 4.963 1.00 0.00 N ATOM 506 CA SER A 36 1.669 4.797 4.832 1.00 0.00 C ATOM 507 C SER A 36 2.519 4.891 3.561 1.00 0.00 C ATOM 508 O SER A 36 2.703 5.989 3.034 1.00 0.00 O ATOM 509 CB SER A 36 2.559 4.951 6.064 1.00 0.00 C ATOM 510 OG SER A 36 1.758 5.083 7.222 1.00 0.00 O ATOM 0 H SER A 36 1.555 2.757 5.236 1.00 0.00 H new ATOM 0 HA SER A 36 0.933 5.598 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.214 4.085 6.161 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.201 5.825 5.953 1.00 0.00 H new ATOM 0 HG SER A 36 2.286 5.489 7.941 1.00 0.00 H new ATOM 516 N ASN A 37 3.041 3.768 3.060 1.00 0.00 N ATOM 517 CA ASN A 37 3.894 3.766 1.876 1.00 0.00 C ATOM 518 C ASN A 37 3.828 2.391 1.196 1.00 0.00 C ATOM 519 O ASN A 37 3.089 1.518 1.646 1.00 0.00 O ATOM 520 CB ASN A 37 5.322 4.128 2.308 1.00 0.00 C ATOM 521 CG ASN A 37 6.214 4.513 1.135 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.732 4.779 0.036 1.00 0.00 O ATOM 523 ND2 ASN A 37 7.524 4.552 1.361 1.00 0.00 N ATOM 0 H ASN A 37 2.884 2.844 3.462 1.00 0.00 H new ATOM 0 HA ASN A 37 3.555 4.503 1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.284 4.956 3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.764 3.280 2.832 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.164 4.809 0.609 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.889 4.325 2.286 1.00 0.00 H new ATOM 530 N ALA A 38 4.594 2.190 0.119 1.00 0.00 N ATOM 531 CA ALA A 38 4.576 0.940 -0.625 1.00 0.00 C ATOM 532 C ALA A 38 5.900 0.672 -1.338 1.00 0.00 C ATOM 533 O ALA A 38 6.773 1.539 -1.408 1.00 0.00 O ATOM 534 CB ALA A 38 3.463 1.006 -1.663 1.00 0.00 C ATOM 0 H ALA A 38 5.238 2.888 -0.254 1.00 0.00 H new ATOM 0 HA ALA A 38 4.410 0.130 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.438 0.075 -2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.506 1.152 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.648 1.838 -2.342 1.00 0.00 H new ATOM 540 N GLN A 39 6.028 -0.544 -1.868 1.00 0.00 N ATOM 541 CA GLN A 39 7.144 -0.963 -2.695 1.00 0.00 C ATOM 542 C GLN A 39 6.676 -2.056 -3.655 1.00 0.00 C ATOM 543 O GLN A 39 5.596 -2.620 -3.480 1.00 0.00 O ATOM 544 CB GLN A 39 8.305 -1.461 -1.829 1.00 0.00 C ATOM 545 CG GLN A 39 7.892 -2.654 -0.965 1.00 0.00 C ATOM 546 CD GLN A 39 9.098 -3.264 -0.264 1.00 0.00 C ATOM 547 OE1 GLN A 39 9.493 -4.389 -0.559 1.00 0.00 O ATOM 548 NE2 GLN A 39 9.700 -2.535 0.671 1.00 0.00 N ATOM 0 H GLN A 39 5.336 -1.280 -1.726 1.00 0.00 H new ATOM 0 HA GLN A 39 7.504 -0.110 -3.270 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.140 -1.746 -2.468 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.655 -0.651 -1.189 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.159 -2.334 -0.224 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.409 -3.408 -1.587 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.350 -1.604 0.895 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.512 -2.907 1.164 1.00 0.00 H new ATOM 557 N CYS A 40 7.486 -2.360 -4.669 1.00 0.00 N ATOM 558 CA CYS A 40 7.166 -3.394 -5.640 1.00 0.00 C ATOM 559 C CYS A 40 8.041 -4.620 -5.387 1.00 0.00 C ATOM 560 O CYS A 40 9.230 -4.494 -5.088 1.00 0.00 O ATOM 561 CB CYS A 40 7.315 -2.827 -7.051 1.00 0.00 C ATOM 562 SG CYS A 40 7.170 -4.046 -8.379 1.00 0.00 S ATOM 0 H CYS A 40 8.379 -1.895 -4.836 1.00 0.00 H new ATOM 0 HA CYS A 40 6.131 -3.719 -5.535 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.558 -2.057 -7.200 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.286 -2.338 -7.130 1.00 0.00 H new ATOM 567 N THR A 41 7.440 -5.806 -5.512 1.00 0.00 N ATOM 568 CA THR A 41 8.081 -7.077 -5.199 1.00 0.00 C ATOM 569 C THR A 41 7.768 -8.124 -6.262 1.00 0.00 C ATOM 570 O THR A 41 7.186 -7.814 -7.303 1.00 0.00 O ATOM 571 CB THR A 41 7.604 -7.557 -3.823 1.00 0.00 C ATOM 572 OG1 THR A 41 6.202 -7.708 -3.826 1.00 0.00 O ATOM 573 CG2 THR A 41 7.985 -6.559 -2.731 1.00 0.00 C ATOM 0 H THR A 41 6.479 -5.907 -5.839 1.00 0.00 H new ATOM 0 HA THR A 41 9.161 -6.933 -5.182 1.00 0.00 H new ATOM 0 HB THR A 41 8.086 -8.513 -3.618 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.829 -7.319 -3.007 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.635 -6.924 -1.766 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.069 -6.445 -2.704 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.524 -5.594 -2.943 1.00 0.00 H new ATOM 581 N GLY A 42 8.153 -9.376 -5.999 1.00 0.00 N ATOM 582 CA GLY A 42 7.937 -10.491 -6.910 1.00 0.00 C ATOM 583 C GLY A 42 9.222 -10.866 -7.638 1.00 0.00 C ATOM 584 O GLY A 42 10.240 -10.183 -7.511 1.00 0.00 O ATOM 0 H GLY A 42 8.628 -9.641 -5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.567 -11.352 -6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.168 -10.227 -7.636 1.00 0.00 H new ATOM 588 N PHE A 43 9.174 -11.958 -8.403 1.00 0.00 N ATOM 589 CA PHE A 43 10.330 -12.471 -9.126 1.00 0.00 C ATOM 590 C PHE A 43 10.730 -11.552 -10.282 1.00 0.00 C ATOM 591 O PHE A 43 11.870 -11.605 -10.743 1.00 0.00 O ATOM 592 CB PHE A 43 9.990 -13.868 -9.649 1.00 0.00 C ATOM 593 CG PHE A 43 10.995 -14.410 -10.645 1.00 0.00 C ATOM 594 CD1 PHE A 43 12.233 -14.905 -10.207 1.00 0.00 C ATOM 595 CD2 PHE A 43 10.688 -14.409 -12.014 1.00 0.00 C ATOM 596 CE1 PHE A 43 13.168 -15.385 -11.139 1.00 0.00 C ATOM 597 CE2 PHE A 43 11.621 -14.885 -12.943 1.00 0.00 C ATOM 598 CZ PHE A 43 12.863 -15.370 -12.508 1.00 0.00 C ATOM 0 H PHE A 43 8.327 -12.511 -8.536 1.00 0.00 H new ATOM 0 HA PHE A 43 11.182 -12.516 -8.447 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.922 -14.555 -8.805 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.006 -13.841 -10.118 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.467 -14.917 -9.153 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.731 -14.041 -12.352 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.121 -15.765 -10.802 1.00 0.00 H new ATOM 0 HE2 PHE A 43 11.384 -14.879 -13.997 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.584 -15.732 -13.226 1.00 0.00 H new ATOM 608 N LEU A 44 9.806 -10.710 -10.754 1.00 0.00 N ATOM 609 CA LEU A 44 10.062 -9.838 -11.890 1.00 0.00 C ATOM 610 C LEU A 44 9.350 -8.491 -11.732 1.00 0.00 C ATOM 611 O LEU A 44 9.057 -7.819 -12.721 1.00 0.00 O ATOM 612 CB LEU A 44 9.658 -10.580 -13.173 1.00 0.00 C ATOM 613 CG LEU A 44 10.305 -10.020 -14.446 1.00 0.00 C ATOM 614 CD1 LEU A 44 11.828 -10.134 -14.394 1.00 0.00 C ATOM 615 CD2 LEU A 44 9.809 -10.821 -15.646 1.00 0.00 C ATOM 0 H LEU A 44 8.870 -10.618 -10.360 1.00 0.00 H new ATOM 0 HA LEU A 44 11.124 -9.599 -11.947 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.927 -11.631 -13.073 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.574 -10.537 -13.279 1.00 0.00 H new ATOM 0 HG LEU A 44 10.033 -8.968 -14.530 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.255 -9.728 -15.311 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.206 -9.573 -13.539 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.111 -11.182 -14.295 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.263 -10.431 -16.557 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.084 -11.868 -15.523 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.725 -10.737 -15.717 1.00 0.00 H new ATOM 627 N GLY A 45 9.065 -8.089 -10.489 1.00 0.00 N ATOM 628 CA GLY A 45 8.378 -6.833 -10.220 1.00 0.00 C ATOM 629 C GLY A 45 6.892 -6.933 -10.555 1.00 0.00 C ATOM 630 O GLY A 45 6.284 -5.947 -10.969 1.00 0.00 O ATOM 0 H GLY A 45 9.303 -8.622 -9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.500 -6.567 -9.170 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.833 -6.034 -10.806 1.00 0.00 H new ATOM 634 N THR A 46 6.301 -8.117 -10.381 1.00 0.00 N ATOM 635 CA THR A 46 4.911 -8.374 -10.741 1.00 0.00 C ATOM 636 C THR A 46 3.973 -8.354 -9.536 1.00 0.00 C ATOM 637 O THR A 46 2.821 -8.774 -9.652 1.00 0.00 O ATOM 638 CB THR A 46 4.807 -9.698 -11.506 1.00 0.00 C ATOM 639 OG1 THR A 46 5.315 -10.751 -10.714 1.00 0.00 O ATOM 640 CG2 THR A 46 5.609 -9.635 -12.804 1.00 0.00 C ATOM 0 H THR A 46 6.778 -8.926 -9.984 1.00 0.00 H new ATOM 0 HA THR A 46 4.584 -7.560 -11.388 1.00 0.00 H new ATOM 0 HB THR A 46 3.756 -9.874 -11.738 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.244 -11.595 -11.207 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.522 -10.585 -13.332 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.221 -8.833 -13.433 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.657 -9.442 -12.575 1.00 0.00 H new ATOM 648 N THR A 47 4.448 -7.874 -8.384 1.00 0.00 N ATOM 649 CA THR A 47 3.658 -7.851 -7.160 1.00 0.00 C ATOM 650 C THR A 47 3.756 -6.486 -6.477 1.00 0.00 C ATOM 651 O THR A 47 4.739 -5.765 -6.649 1.00 0.00 O ATOM 652 CB THR A 47 4.117 -8.981 -6.234 1.00 0.00 C ATOM 653 OG1 THR A 47 4.090 -10.209 -6.932 1.00 0.00 O ATOM 654 CG2 THR A 47 3.226 -9.118 -5.004 1.00 0.00 C ATOM 0 H THR A 47 5.388 -7.493 -8.278 1.00 0.00 H new ATOM 0 HA THR A 47 2.608 -8.012 -7.405 1.00 0.00 H new ATOM 0 HB THR A 47 5.127 -8.734 -5.907 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.386 -10.930 -6.337 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.592 -9.932 -4.378 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.244 -8.188 -4.436 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.204 -9.332 -5.317 1.00 0.00 H new ATOM 662 N CYS A 48 2.728 -6.137 -5.700 1.00 0.00 N ATOM 663 CA CYS A 48 2.671 -4.896 -4.942 1.00 0.00 C ATOM 664 C CYS A 48 2.621 -5.213 -3.448 1.00 0.00 C ATOM 665 O CYS A 48 1.932 -6.146 -3.037 1.00 0.00 O ATOM 666 CB CYS A 48 1.448 -4.092 -5.396 1.00 0.00 C ATOM 667 SG CYS A 48 1.057 -2.643 -4.378 1.00 0.00 S ATOM 0 H CYS A 48 1.901 -6.722 -5.581 1.00 0.00 H new ATOM 0 HA CYS A 48 3.561 -4.294 -5.123 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.610 -3.762 -6.422 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.582 -4.753 -5.407 1.00 0.00 H new ATOM 672 N THR A 49 3.348 -4.436 -2.641 1.00 0.00 N ATOM 673 CA THR A 49 3.423 -4.635 -1.197 1.00 0.00 C ATOM 674 C THR A 49 3.386 -3.283 -0.486 1.00 0.00 C ATOM 675 O THR A 49 3.940 -2.304 -0.983 1.00 0.00 O ATOM 676 CB THR A 49 4.703 -5.406 -0.860 1.00 0.00 C ATOM 677 OG1 THR A 49 4.664 -6.682 -1.460 1.00 0.00 O ATOM 678 CG2 THR A 49 4.865 -5.601 0.648 1.00 0.00 C ATOM 0 H THR A 49 3.903 -3.648 -2.976 1.00 0.00 H new ATOM 0 HA THR A 49 2.568 -5.218 -0.855 1.00 0.00 H new ATOM 0 HB THR A 49 5.541 -4.821 -1.237 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.402 -7.227 -1.117 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.784 -6.152 0.847 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.912 -4.628 1.138 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.015 -6.162 1.036 1.00 0.00 H new ATOM 686 N CYS A 50 2.734 -3.229 0.678 1.00 0.00 N ATOM 687 CA CYS A 50 2.595 -1.998 1.445 1.00 0.00 C ATOM 688 C CYS A 50 3.589 -1.945 2.605 1.00 0.00 C ATOM 689 O CYS A 50 4.180 -2.960 2.977 1.00 0.00 O ATOM 690 CB CYS A 50 1.155 -1.861 1.941 1.00 0.00 C ATOM 691 SG CYS A 50 -0.107 -1.909 0.637 1.00 0.00 S ATOM 0 H CYS A 50 2.290 -4.039 1.111 1.00 0.00 H new ATOM 0 HA CYS A 50 2.824 -1.155 0.793 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.953 -2.662 2.652 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.061 -0.921 2.484 1.00 0.00 H new ATOM 696 N ILE A 51 3.771 -0.750 3.174 1.00 0.00 N ATOM 697 CA ILE A 51 4.715 -0.503 4.255 1.00 0.00 C ATOM 698 C ILE A 51 3.971 -0.144 5.540 1.00 0.00 C ATOM 699 O ILE A 51 2.932 0.509 5.491 1.00 0.00 O ATOM 700 CB ILE A 51 5.667 0.623 3.837 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.404 0.296 2.530 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.683 0.933 4.937 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.295 -0.943 2.635 1.00 0.00 C ATOM 0 H ILE A 51 3.256 0.083 2.888 1.00 0.00 H new ATOM 0 HA ILE A 51 5.295 -1.405 4.451 1.00 0.00 H new ATOM 0 HB ILE A 51 5.048 1.504 3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.673 0.144 1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.015 1.151 2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.342 1.736 4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.158 1.242 5.841 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.274 0.042 5.148 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.787 -1.119 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.048 -0.785 3.407 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.685 -1.809 2.894 1.00 0.00 H new ATOM 715 N ASN A 52 4.504 -0.569 6.688 1.00 0.00 N ATOM 716 CA ASN A 52 3.889 -0.326 7.985 1.00 0.00 C ATOM 717 C ASN A 52 4.054 1.144 8.395 1.00 0.00 C ATOM 718 O ASN A 52 4.981 1.809 7.929 1.00 0.00 O ATOM 719 CB ASN A 52 4.507 -1.273 9.016 1.00 0.00 C ATOM 720 CG ASN A 52 5.998 -1.022 9.195 1.00 0.00 C ATOM 721 OD1 ASN A 52 6.816 -1.577 8.464 1.00 0.00 O ATOM 722 ND2 ASN A 52 6.365 -0.190 10.164 1.00 0.00 N ATOM 0 H ASN A 52 5.378 -1.093 6.739 1.00 0.00 H new ATOM 0 HA ASN A 52 2.818 -0.523 7.928 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.000 -1.148 9.973 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.348 -2.305 8.703 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.354 0.006 10.321 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.658 0.253 10.751 1.00 0.00 H new ATOM 729 N PRO A 53 3.177 1.668 9.261 1.00 0.00 N ATOM 730 CA PRO A 53 2.029 0.988 9.842 1.00 0.00 C ATOM 731 C PRO A 53 0.901 0.819 8.828 1.00 0.00 C ATOM 732 O PRO A 53 0.873 1.487 7.796 1.00 0.00 O ATOM 733 CB PRO A 53 1.587 1.882 10.999 1.00 0.00 C ATOM 734 CG PRO A 53 1.956 3.277 10.502 1.00 0.00 C ATOM 735 CD PRO A 53 3.261 3.030 9.753 1.00 0.00 C ATOM 0 HA PRO A 53 2.285 -0.020 10.170 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.519 1.791 11.196 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.104 1.632 11.925 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.187 3.691 9.850 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.088 3.979 11.326 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.381 3.737 8.932 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.121 3.157 10.411 1.00 0.00 H new ATOM 743 N CYS A 54 -0.036 -0.082 9.135 1.00 0.00 N ATOM 744 CA CYS A 54 -1.199 -0.355 8.301 1.00 0.00 C ATOM 745 C CYS A 54 -2.453 -0.474 9.174 1.00 0.00 C ATOM 746 O CYS A 54 -3.003 -1.564 9.326 1.00 0.00 O ATOM 747 CB CYS A 54 -0.971 -1.646 7.507 1.00 0.00 C ATOM 748 SG CYS A 54 0.227 -1.548 6.149 1.00 0.00 S ATOM 0 H CYS A 54 -0.003 -0.648 9.983 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.344 0.467 7.600 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.642 -2.421 8.199 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.928 -1.970 7.097 1.00 0.00 H new ATOM 753 N PRO A 55 -2.921 0.638 9.758 1.00 0.00 N ATOM 754 CA PRO A 55 -4.105 0.678 10.604 1.00 0.00 C ATOM 755 C PRO A 55 -5.366 0.305 9.822 1.00 0.00 C ATOM 756 O PRO A 55 -5.380 0.324 8.592 1.00 0.00 O ATOM 757 CB PRO A 55 -4.181 2.114 11.134 1.00 0.00 C ATOM 758 CG PRO A 55 -3.456 2.917 10.054 1.00 0.00 C ATOM 759 CD PRO A 55 -2.343 1.965 9.638 1.00 0.00 C ATOM 0 HA PRO A 55 -4.039 -0.046 11.416 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.212 2.444 11.259 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.695 2.212 12.105 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.113 3.164 9.220 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.064 3.858 10.440 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.016 2.162 8.617 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.469 2.075 10.280 1.00 0.00 H new ATOM 767 N ARG A 56 -6.435 -0.036 10.549 1.00 0.00 N ATOM 768 CA ARG A 56 -7.694 -0.477 9.953 1.00 0.00 C ATOM 769 C ARG A 56 -8.474 0.696 9.362 1.00 0.00 C ATOM 770 O ARG A 56 -8.228 1.851 9.706 1.00 0.00 O ATOM 771 CB ARG A 56 -8.530 -1.224 10.999 1.00 0.00 C ATOM 772 CG ARG A 56 -7.810 -2.491 11.469 1.00 0.00 C ATOM 773 CD ARG A 56 -8.685 -3.293 12.426 1.00 0.00 C ATOM 774 NE ARG A 56 -8.970 -2.543 13.656 1.00 0.00 N ATOM 775 CZ ARG A 56 -9.753 -2.987 14.644 1.00 0.00 C ATOM 776 NH1 ARG A 56 -10.344 -4.176 14.563 1.00 0.00 N ATOM 777 NH2 ARG A 56 -9.949 -2.237 15.724 1.00 0.00 N ATOM 0 H ARG A 56 -6.449 -0.013 11.569 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.467 -1.157 9.132 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.721 -0.572 11.851 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.499 -1.487 10.576 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.548 -3.106 10.608 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.877 -2.221 11.963 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.621 -3.553 11.932 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.187 -4.229 12.677 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.542 -1.623 13.763 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.202 -4.761 13.740 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.939 -4.503 15.324 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.502 -1.323 15.798 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.546 -2.575 16.478 1.00 0.00 H new ATOM 791 N CYS A 57 -9.419 0.380 8.474 1.00 0.00 N ATOM 792 CA CYS A 57 -10.268 1.361 7.814 1.00 0.00 C ATOM 793 C CYS A 57 -11.660 0.771 7.572 1.00 0.00 C ATOM 794 O CYS A 57 -11.735 -0.254 6.856 1.00 0.00 O ATOM 795 CB CYS A 57 -9.611 1.785 6.501 1.00 0.00 C ATOM 796 SG CYS A 57 -10.580 2.964 5.526 1.00 0.00 S ATOM 797 OXT CYS A 57 -12.632 1.349 8.103 1.00 0.00 O ATOM 0 H CYS A 57 -9.615 -0.581 8.192 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.385 2.240 8.448 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.639 2.227 6.721 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.428 0.896 5.897 1.00 0.00 H new TER 802 CYS A 57