USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 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 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 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= -0.24 K(o=-0.24,f=-1.3) USER MOD Single : A 21 HIS : no HD1:sc= -0.0518 X(o=-0.052,f=-0.17) USER MOD Single : A 24 SER OG : rot 96:sc= 0.613 USER MOD Single : A 26 HIS : no HE2:sc= 0.135 K(o=0.13,f=-3.4!) USER MOD Single : A 36 SER OG : rot -170:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.335 K(o=0.34,f=-6.9!) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.216 F(o=-0.97,f=-0.22) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00786 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.0126 K(o=0.013,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 28 N CYS A 3 -13.055 -0.796 0.641 1.00 0.00 N ATOM 29 CA CYS A 3 -11.793 -1.493 0.473 1.00 0.00 C ATOM 30 C CYS A 3 -11.876 -2.500 -0.678 1.00 0.00 C ATOM 31 O CYS A 3 -12.211 -3.664 -0.459 1.00 0.00 O ATOM 32 CB CYS A 3 -11.429 -2.209 1.773 1.00 0.00 C ATOM 33 SG CYS A 3 -12.816 -2.906 2.706 1.00 0.00 S ATOM 0 HA CYS A 3 -11.020 -0.764 0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.732 -3.014 1.539 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -10.900 -1.506 2.417 1.00 0.00 H new ATOM 38 N PRO A 4 -11.576 -2.060 -1.907 1.00 0.00 N ATOM 39 CA PRO A 4 -11.467 -2.925 -3.068 1.00 0.00 C ATOM 40 C PRO A 4 -10.165 -3.723 -3.017 1.00 0.00 C ATOM 41 O PRO A 4 -9.326 -3.504 -2.140 1.00 0.00 O ATOM 42 CB PRO A 4 -11.495 -1.973 -4.262 1.00 0.00 C ATOM 43 CG PRO A 4 -10.810 -0.726 -3.712 1.00 0.00 C ATOM 44 CD PRO A 4 -11.303 -0.681 -2.266 1.00 0.00 C ATOM 0 HA PRO A 4 -12.269 -3.661 -3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.962 -2.383 -5.120 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.513 -1.764 -4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.724 -0.803 -3.767 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.095 0.169 -4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.551 -0.246 -1.608 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.199 -0.067 -2.176 1.00 0.00 H new ATOM 52 N THR A 5 -9.992 -4.647 -3.968 1.00 0.00 N ATOM 53 CA THR A 5 -8.789 -5.460 -4.064 1.00 0.00 C ATOM 54 C THR A 5 -8.146 -5.260 -5.430 1.00 0.00 C ATOM 55 O THR A 5 -8.843 -5.275 -6.445 1.00 0.00 O ATOM 56 CB THR A 5 -9.133 -6.936 -3.847 1.00 0.00 C ATOM 57 OG1 THR A 5 -9.845 -7.082 -2.638 1.00 0.00 O ATOM 58 CG2 THR A 5 -7.866 -7.787 -3.773 1.00 0.00 C ATOM 0 H THR A 5 -10.685 -4.847 -4.689 1.00 0.00 H new ATOM 0 HA THR A 5 -8.084 -5.153 -3.292 1.00 0.00 H new ATOM 0 HB THR A 5 -9.739 -7.271 -4.689 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.066 -8.027 -2.501 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.138 -8.831 -3.618 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.308 -7.691 -4.705 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.247 -7.446 -2.943 1.00 0.00 H new ATOM 66 N ARG A 6 -6.823 -5.073 -5.464 1.00 0.00 N ATOM 67 CA ARG A 6 -6.073 -4.868 -6.698 1.00 0.00 C ATOM 68 C ARG A 6 -4.724 -5.575 -6.614 1.00 0.00 C ATOM 69 O ARG A 6 -4.139 -5.672 -5.537 1.00 0.00 O ATOM 70 CB ARG A 6 -5.846 -3.368 -6.922 1.00 0.00 C ATOM 71 CG ARG A 6 -7.136 -2.580 -7.161 1.00 0.00 C ATOM 72 CD ARG A 6 -7.784 -2.976 -8.487 1.00 0.00 C ATOM 73 NE ARG A 6 -8.939 -2.119 -8.795 1.00 0.00 N ATOM 74 CZ ARG A 6 -10.210 -2.416 -8.503 1.00 0.00 C ATOM 75 NH1 ARG A 6 -10.528 -3.543 -7.871 1.00 0.00 N ATOM 76 NH2 ARG A 6 -11.179 -1.576 -8.855 1.00 0.00 N ATOM 0 H ARG A 6 -6.241 -5.060 -4.626 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.644 -5.280 -7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.333 -2.954 -6.054 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.184 -3.233 -7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.833 -2.761 -6.343 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.918 -1.512 -7.164 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.050 -2.902 -9.289 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.103 -4.017 -8.442 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.757 -1.233 -9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.796 -4.200 -7.600 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.504 -3.750 -7.658 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.951 -0.711 -9.345 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.150 -1.797 -8.635 1.00 0.00 H new ATOM 90 N ARG A 7 -4.233 -6.065 -7.754 1.00 0.00 N ATOM 91 CA ARG A 7 -2.946 -6.749 -7.879 1.00 0.00 C ATOM 92 C ARG A 7 -2.304 -6.372 -9.213 1.00 0.00 C ATOM 93 O ARG A 7 -2.983 -5.879 -10.113 1.00 0.00 O ATOM 94 CB ARG A 7 -3.149 -8.268 -7.841 1.00 0.00 C ATOM 95 CG ARG A 7 -3.626 -8.825 -6.493 1.00 0.00 C ATOM 96 CD ARG A 7 -2.516 -8.866 -5.443 1.00 0.00 C ATOM 97 NE ARG A 7 -2.260 -7.544 -4.866 1.00 0.00 N ATOM 98 CZ ARG A 7 -1.156 -7.207 -4.192 1.00 0.00 C ATOM 99 NH1 ARG A 7 -0.169 -8.078 -4.008 1.00 0.00 N ATOM 100 NH2 ARG A 7 -1.032 -5.979 -3.699 1.00 0.00 N ATOM 0 H ARG A 7 -4.734 -5.995 -8.640 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.304 -6.449 -7.051 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.874 -8.542 -8.607 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.209 -8.752 -8.105 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.448 -8.213 -6.122 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.019 -9.831 -6.639 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.792 -9.561 -4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.601 -9.247 -5.897 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.977 -6.828 -4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.246 -9.023 -4.384 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.665 -7.801 -3.491 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.778 -5.297 -3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.191 -5.719 -3.184 1.00 0.00 H new ATOM 114 N GLY A 8 -0.995 -6.604 -9.341 1.00 0.00 N ATOM 115 CA GLY A 8 -0.264 -6.355 -10.577 1.00 0.00 C ATOM 116 C GLY A 8 -0.113 -4.867 -10.885 1.00 0.00 C ATOM 117 O GLY A 8 0.252 -4.506 -12.003 1.00 0.00 O ATOM 0 H GLY A 8 -0.415 -6.971 -8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.724 -6.809 -10.507 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.781 -6.842 -11.404 1.00 0.00 H new ATOM 121 N LEU A 9 -0.385 -3.997 -9.908 1.00 0.00 N ATOM 122 CA LEU A 9 -0.335 -2.552 -10.098 1.00 0.00 C ATOM 123 C LEU A 9 1.045 -2.083 -10.554 1.00 0.00 C ATOM 124 O LEU A 9 1.149 -1.049 -11.208 1.00 0.00 O ATOM 125 CB LEU A 9 -0.695 -1.865 -8.777 1.00 0.00 C ATOM 126 CG LEU A 9 -2.157 -2.082 -8.378 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.371 -1.534 -6.970 1.00 0.00 C ATOM 128 CD2 LEU A 9 -3.098 -1.351 -9.332 1.00 0.00 C ATOM 0 H LEU A 9 -0.646 -4.279 -8.963 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.048 -2.287 -10.879 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.047 -2.244 -7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.501 -0.796 -8.863 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.373 -3.150 -8.418 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.410 -1.683 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.717 -2.058 -6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.139 -0.469 -6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.130 -1.521 -9.026 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.884 -0.283 -9.307 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.953 -1.726 -10.345 1.00 0.00 H new ATOM 140 N CYS A 10 2.100 -2.831 -10.219 1.00 0.00 N ATOM 141 CA CYS A 10 3.459 -2.441 -10.547 1.00 0.00 C ATOM 142 C CYS A 10 3.859 -2.892 -11.956 1.00 0.00 C ATOM 143 O CYS A 10 5.019 -2.758 -12.343 1.00 0.00 O ATOM 144 CB CYS A 10 4.409 -2.953 -9.464 1.00 0.00 C ATOM 145 SG CYS A 10 5.957 -2.023 -9.337 1.00 0.00 S ATOM 0 H CYS A 10 2.029 -3.716 -9.717 1.00 0.00 H new ATOM 0 HA CYS A 10 3.524 -1.353 -10.565 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.898 -2.919 -8.502 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.642 -3.999 -9.665 1.00 0.00 H new ATOM 150 N VAL A 11 2.903 -3.424 -12.729 1.00 0.00 N ATOM 151 CA VAL A 11 3.151 -3.882 -14.091 1.00 0.00 C ATOM 152 C VAL A 11 2.222 -3.182 -15.081 1.00 0.00 C ATOM 153 O VAL A 11 2.556 -3.073 -16.258 1.00 0.00 O ATOM 154 CB VAL A 11 2.952 -5.401 -14.155 1.00 0.00 C ATOM 155 CG1 VAL A 11 3.325 -5.949 -15.532 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.827 -6.099 -13.112 1.00 0.00 C ATOM 0 H VAL A 11 1.938 -3.546 -12.422 1.00 0.00 H new ATOM 0 HA VAL A 11 4.176 -3.636 -14.367 1.00 0.00 H new ATOM 0 HB VAL A 11 1.898 -5.597 -13.957 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.174 -7.028 -15.547 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.696 -5.484 -16.291 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.371 -5.726 -15.741 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.674 -7.177 -13.171 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.875 -5.871 -13.305 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.556 -5.748 -12.116 1.00 0.00 H new ATOM 166 N THR A 12 1.061 -2.705 -14.619 1.00 0.00 N ATOM 167 CA THR A 12 0.081 -2.060 -15.485 1.00 0.00 C ATOM 168 C THR A 12 0.090 -0.545 -15.328 1.00 0.00 C ATOM 169 O THR A 12 -0.404 0.164 -16.204 1.00 0.00 O ATOM 170 CB THR A 12 -1.315 -2.610 -15.181 1.00 0.00 C ATOM 171 OG1 THR A 12 -1.619 -2.406 -13.819 1.00 0.00 O ATOM 172 CG2 THR A 12 -1.383 -4.105 -15.483 1.00 0.00 C ATOM 0 H THR A 12 0.780 -2.757 -13.640 1.00 0.00 H new ATOM 0 HA THR A 12 0.351 -2.283 -16.517 1.00 0.00 H new ATOM 0 HB THR A 12 -2.035 -2.085 -15.810 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.514 -2.757 -13.627 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.383 -4.476 -15.260 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.160 -4.274 -16.536 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.655 -4.634 -14.868 1.00 0.00 H new ATOM 180 N SER A 13 0.648 -0.042 -14.222 1.00 0.00 N ATOM 181 CA SER A 13 0.699 1.385 -13.939 1.00 0.00 C ATOM 182 C SER A 13 2.002 1.799 -13.255 1.00 0.00 C ATOM 183 O SER A 13 2.359 2.976 -13.276 1.00 0.00 O ATOM 184 CB SER A 13 -0.466 1.714 -13.021 1.00 0.00 C ATOM 185 OG SER A 13 -1.680 1.702 -13.737 1.00 0.00 O ATOM 0 H SER A 13 1.077 -0.620 -13.499 1.00 0.00 H new ATOM 0 HA SER A 13 0.643 1.928 -14.883 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.510 0.990 -12.207 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.314 2.694 -12.568 1.00 0.00 H new ATOM 0 HG SER A 13 -2.420 1.914 -13.130 1.00 0.00 H new ATOM 191 N GLY A 14 2.715 0.848 -12.648 1.00 0.00 N ATOM 192 CA GLY A 14 3.993 1.099 -11.999 1.00 0.00 C ATOM 193 C GLY A 14 3.834 1.317 -10.497 1.00 0.00 C ATOM 194 O GLY A 14 2.736 1.210 -9.953 1.00 0.00 O ATOM 0 H GLY A 14 2.414 -0.125 -12.595 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.661 0.256 -12.175 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.461 1.976 -12.446 1.00 0.00 H new ATOM 198 N LEU A 15 4.942 1.624 -9.819 1.00 0.00 N ATOM 199 CA LEU A 15 4.973 1.795 -8.372 1.00 0.00 C ATOM 200 C LEU A 15 4.028 2.901 -7.912 1.00 0.00 C ATOM 201 O LEU A 15 3.542 2.864 -6.784 1.00 0.00 O ATOM 202 CB LEU A 15 6.420 2.109 -7.965 1.00 0.00 C ATOM 203 CG LEU A 15 6.558 2.457 -6.477 1.00 0.00 C ATOM 204 CD1 LEU A 15 6.121 1.300 -5.574 1.00 0.00 C ATOM 205 CD2 LEU A 15 8.017 2.783 -6.174 1.00 0.00 C ATOM 0 H LEU A 15 5.848 1.761 -10.266 1.00 0.00 H new ATOM 0 HA LEU A 15 4.632 0.878 -7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.051 1.250 -8.192 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.788 2.942 -8.564 1.00 0.00 H new ATOM 0 HG LEU A 15 5.912 3.311 -6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.235 1.590 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.076 1.059 -5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.740 0.426 -5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.123 3.031 -5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.639 1.919 -6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.333 3.632 -6.780 1.00 0.00 H new ATOM 217 N THR A 16 3.758 3.887 -8.770 1.00 0.00 N ATOM 218 CA THR A 16 2.903 5.008 -8.408 1.00 0.00 C ATOM 219 C THR A 16 1.485 4.540 -8.085 1.00 0.00 C ATOM 220 O THR A 16 0.833 5.107 -7.208 1.00 0.00 O ATOM 221 CB THR A 16 2.881 6.021 -9.553 1.00 0.00 C ATOM 222 OG1 THR A 16 4.202 6.319 -9.948 1.00 0.00 O ATOM 223 CG2 THR A 16 2.196 7.313 -9.123 1.00 0.00 C ATOM 0 H THR A 16 4.123 3.927 -9.722 1.00 0.00 H new ATOM 0 HA THR A 16 3.308 5.480 -7.512 1.00 0.00 H new ATOM 0 HB THR A 16 2.327 5.583 -10.383 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.185 6.967 -10.683 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.193 8.017 -9.955 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.170 7.099 -8.825 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.735 7.748 -8.281 1.00 0.00 H new ATOM 231 N ALA A 17 0.993 3.510 -8.781 1.00 0.00 N ATOM 232 CA ALA A 17 -0.349 2.999 -8.537 1.00 0.00 C ATOM 233 C ALA A 17 -0.352 2.048 -7.345 1.00 0.00 C ATOM 234 O ALA A 17 -1.350 1.949 -6.634 1.00 0.00 O ATOM 235 CB ALA A 17 -0.853 2.303 -9.796 1.00 0.00 C ATOM 0 H ALA A 17 1.506 3.019 -9.514 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.017 3.826 -8.297 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.857 1.918 -9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.876 3.015 -10.621 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.186 1.478 -10.047 1.00 0.00 H new ATOM 241 N CYS A 18 0.764 1.348 -7.120 1.00 0.00 N ATOM 242 CA CYS A 18 0.904 0.472 -5.971 1.00 0.00 C ATOM 243 C CYS A 18 0.984 1.312 -4.698 1.00 0.00 C ATOM 244 O CYS A 18 0.537 0.880 -3.639 1.00 0.00 O ATOM 245 CB CYS A 18 2.161 -0.379 -6.169 1.00 0.00 C ATOM 246 SG CYS A 18 2.620 -1.398 -4.741 1.00 0.00 S ATOM 0 H CYS A 18 1.583 1.377 -7.727 1.00 0.00 H new ATOM 0 HA CYS A 18 0.043 -0.190 -5.874 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.010 -1.031 -7.030 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.995 0.280 -6.411 1.00 0.00 H new ATOM 251 N ARG A 19 1.551 2.520 -4.795 1.00 0.00 N ATOM 252 CA ARG A 19 1.668 3.422 -3.662 1.00 0.00 C ATOM 253 C ARG A 19 0.344 4.119 -3.385 1.00 0.00 C ATOM 254 O ARG A 19 0.000 4.350 -2.229 1.00 0.00 O ATOM 255 CB ARG A 19 2.780 4.429 -3.955 1.00 0.00 C ATOM 256 CG ARG A 19 3.164 5.178 -2.679 1.00 0.00 C ATOM 257 CD ARG A 19 4.325 6.131 -2.964 1.00 0.00 C ATOM 258 NE ARG A 19 4.758 6.811 -1.740 1.00 0.00 N ATOM 259 CZ ARG A 19 4.472 8.079 -1.424 1.00 0.00 C ATOM 260 NH1 ARG A 19 3.747 8.847 -2.235 1.00 0.00 N ATOM 261 NH2 ARG A 19 4.919 8.585 -0.278 1.00 0.00 N ATOM 0 H ARG A 19 1.938 2.892 -5.662 1.00 0.00 H new ATOM 0 HA ARG A 19 1.922 2.858 -2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.651 3.913 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.449 5.137 -4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.307 5.737 -2.303 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.447 4.468 -1.902 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.160 5.575 -3.391 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.021 6.869 -3.706 1.00 0.00 H new ATOM 0 HE ARG A 19 5.321 6.276 -1.078 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.398 8.471 -3.117 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.541 9.811 -1.975 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.475 8.007 0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.706 9.551 -0.029 1.00 0.00 H new ATOM 275 N ASN A 20 -0.399 4.449 -4.441 1.00 0.00 N ATOM 276 CA ASN A 20 -1.700 5.082 -4.292 1.00 0.00 C ATOM 277 C ASN A 20 -2.731 4.085 -3.759 1.00 0.00 C ATOM 278 O ASN A 20 -3.724 4.493 -3.158 1.00 0.00 O ATOM 279 CB ASN A 20 -2.143 5.659 -5.642 1.00 0.00 C ATOM 280 CG ASN A 20 -1.279 6.838 -6.079 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.476 7.360 -5.310 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.440 7.264 -7.328 1.00 0.00 N ATOM 0 H ASN A 20 -0.118 4.286 -5.408 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.622 5.893 -3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.098 4.878 -6.401 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.183 5.979 -5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.887 8.048 -7.675 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.116 6.807 -7.940 1.00 0.00 H new ATOM 289 N HIS A 21 -2.507 2.783 -3.966 1.00 0.00 N ATOM 290 CA HIS A 21 -3.401 1.757 -3.452 1.00 0.00 C ATOM 291 C HIS A 21 -3.103 1.470 -1.982 1.00 0.00 C ATOM 292 O HIS A 21 -4.017 1.187 -1.210 1.00 0.00 O ATOM 293 CB HIS A 21 -3.233 0.500 -4.296 1.00 0.00 C ATOM 294 CG HIS A 21 -4.143 -0.621 -3.875 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.499 -0.694 -4.087 1.00 0.00 N ATOM 296 CD2 HIS A 21 -3.775 -1.756 -3.204 1.00 0.00 C ATOM 297 CE1 HIS A 21 -5.936 -1.849 -3.554 1.00 0.00 C ATOM 298 NE2 HIS A 21 -4.919 -2.538 -3.007 1.00 0.00 N ATOM 0 H HIS A 21 -1.710 2.421 -4.489 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.433 2.102 -3.514 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.426 0.743 -5.341 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.198 0.163 -4.233 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.775 -2.005 -2.882 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -6.964 -2.178 -3.564 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.971 -3.445 -2.543 1.00 0.00 H new ATOM 306 N CYS A 22 -1.827 1.544 -1.589 1.00 0.00 N ATOM 307 CA CYS A 22 -1.428 1.332 -0.201 1.00 0.00 C ATOM 308 C CYS A 22 -1.725 2.559 0.663 1.00 0.00 C ATOM 309 O CYS A 22 -1.953 2.409 1.860 1.00 0.00 O ATOM 310 CB CYS A 22 0.058 1.011 -0.147 1.00 0.00 C ATOM 311 SG CYS A 22 0.513 -0.614 -0.805 1.00 0.00 S ATOM 0 H CYS A 22 -1.052 1.750 -2.219 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.005 0.497 0.196 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.600 1.776 -0.702 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.391 1.073 0.889 1.00 0.00 H new ATOM 316 N ARG A 23 -1.728 3.759 0.070 1.00 0.00 N ATOM 317 CA ARG A 23 -2.035 4.996 0.787 1.00 0.00 C ATOM 318 C ARG A 23 -3.539 5.256 0.834 1.00 0.00 C ATOM 319 O ARG A 23 -3.972 6.294 1.332 1.00 0.00 O ATOM 320 CB ARG A 23 -1.266 6.165 0.165 1.00 0.00 C ATOM 321 CG ARG A 23 0.234 6.025 0.446 1.00 0.00 C ATOM 322 CD ARG A 23 1.019 7.155 -0.220 1.00 0.00 C ATOM 323 NE ARG A 23 0.620 8.468 0.304 1.00 0.00 N ATOM 324 CZ ARG A 23 -0.024 9.404 -0.400 1.00 0.00 C ATOM 325 NH1 ARG A 23 -0.367 9.198 -1.669 1.00 0.00 N ATOM 326 NH2 ARG A 23 -0.330 10.566 0.171 1.00 0.00 N ATOM 0 H ARG A 23 -1.518 3.896 -0.919 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.709 4.891 1.822 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.440 6.192 -0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.633 7.108 0.572 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.410 6.039 1.522 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.589 5.063 0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.086 7.005 -0.055 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.856 7.127 -1.297 1.00 0.00 H new ATOM 0 HE ARG A 23 0.851 8.681 1.274 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.139 8.313 -2.122 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.858 9.925 -2.189 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.073 10.740 1.143 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.821 11.283 -0.363 1.00 0.00 H new ATOM 340 N SER A 24 -4.326 4.310 0.315 1.00 0.00 N ATOM 341 CA SER A 24 -5.777 4.344 0.373 1.00 0.00 C ATOM 342 C SER A 24 -6.267 3.061 1.033 1.00 0.00 C ATOM 343 O SER A 24 -5.498 2.107 1.173 1.00 0.00 O ATOM 344 CB SER A 24 -6.362 4.493 -1.032 1.00 0.00 C ATOM 345 OG SER A 24 -5.899 5.686 -1.630 1.00 0.00 O ATOM 0 H SER A 24 -3.959 3.488 -0.164 1.00 0.00 H new ATOM 0 HA SER A 24 -6.106 5.202 0.960 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.078 3.637 -1.644 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.451 4.502 -0.981 1.00 0.00 H new ATOM 0 HG SER A 24 -5.123 5.489 -2.195 1.00 0.00 H new ATOM 351 N CYS A 25 -7.533 3.014 1.446 1.00 0.00 N ATOM 352 CA CYS A 25 -8.052 1.832 2.103 1.00 0.00 C ATOM 353 C CYS A 25 -8.225 0.702 1.088 1.00 0.00 C ATOM 354 O CYS A 25 -8.754 0.918 -0.002 1.00 0.00 O ATOM 355 CB CYS A 25 -9.352 2.161 2.831 1.00 0.00 C ATOM 356 SG CYS A 25 -9.188 3.535 3.993 1.00 0.00 S ATOM 0 H CYS A 25 -8.205 3.774 1.336 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.340 1.489 2.854 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -10.121 2.404 2.097 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.693 1.277 3.369 1.00 0.00 H new ATOM 361 N HIS A 26 -7.774 -0.500 1.453 1.00 0.00 N ATOM 362 CA HIS A 26 -7.808 -1.661 0.580 1.00 0.00 C ATOM 363 C HIS A 26 -8.073 -2.928 1.388 1.00 0.00 C ATOM 364 O HIS A 26 -8.045 -2.900 2.619 1.00 0.00 O ATOM 365 CB HIS A 26 -6.465 -1.760 -0.147 1.00 0.00 C ATOM 366 CG HIS A 26 -5.295 -1.688 0.798 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.477 -0.589 0.987 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.863 -2.681 1.629 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.560 -0.909 1.919 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.783 -2.174 2.325 1.00 0.00 N ATOM 0 H HIS A 26 -7.373 -0.690 2.371 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.614 -1.555 -0.146 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.423 -2.697 -0.702 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.389 -0.954 -0.877 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.555 0.307 0.505 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.284 -3.671 1.724 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.776 -0.260 2.281 1.00 0.00 H new ATOM 379 N ARG A 27 -8.330 -4.037 0.698 1.00 0.00 N ATOM 380 CA ARG A 27 -8.650 -5.299 1.348 1.00 0.00 C ATOM 381 C ARG A 27 -7.408 -5.904 1.998 1.00 0.00 C ATOM 382 O ARG A 27 -6.329 -5.893 1.408 1.00 0.00 O ATOM 383 CB ARG A 27 -9.264 -6.249 0.317 1.00 0.00 C ATOM 384 CG ARG A 27 -9.928 -7.465 0.965 1.00 0.00 C ATOM 385 CD ARG A 27 -11.054 -7.054 1.918 1.00 0.00 C ATOM 386 NE ARG A 27 -12.053 -6.226 1.231 1.00 0.00 N ATOM 387 CZ ARG A 27 -13.371 -6.285 1.440 1.00 0.00 C ATOM 388 NH1 ARG A 27 -13.888 -7.139 2.320 1.00 0.00 N ATOM 389 NH2 ARG A 27 -14.179 -5.481 0.758 1.00 0.00 N ATOM 0 H ARG A 27 -8.322 -4.083 -0.321 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.375 -5.127 2.144 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.002 -5.709 -0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.488 -6.586 -0.370 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.328 -8.118 0.189 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.180 -8.040 1.511 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.533 -7.944 2.325 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.638 -6.502 2.761 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.715 -5.555 0.542 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.275 -7.761 2.847 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.897 -7.171 2.467 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.792 -4.824 0.080 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.187 -5.520 0.912 1.00 0.00 H new ATOM 403 N GLY A 28 -7.575 -6.425 3.214 1.00 0.00 N ATOM 404 CA GLY A 28 -6.518 -7.084 3.963 1.00 0.00 C ATOM 405 C GLY A 28 -6.729 -8.597 3.986 1.00 0.00 C ATOM 406 O GLY A 28 -7.493 -9.137 3.187 1.00 0.00 O ATOM 0 H GLY A 28 -8.466 -6.398 3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.551 -6.854 3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.496 -6.700 4.983 1.00 0.00 H new ATOM 410 N ASP A 29 -6.050 -9.287 4.905 1.00 0.00 N ATOM 411 CA ASP A 29 -6.128 -10.738 5.014 1.00 0.00 C ATOM 412 C ASP A 29 -7.215 -11.185 5.994 1.00 0.00 C ATOM 413 O ASP A 29 -7.627 -12.343 5.965 1.00 0.00 O ATOM 414 CB ASP A 29 -4.759 -11.256 5.447 1.00 0.00 C ATOM 415 CG ASP A 29 -4.686 -12.781 5.413 1.00 0.00 C ATOM 416 OD1 ASP A 29 -4.757 -13.334 4.295 1.00 0.00 O ATOM 417 OD2 ASP A 29 -4.564 -13.378 6.507 1.00 0.00 O ATOM 0 H ASP A 29 -5.433 -8.853 5.591 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.402 -11.154 4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.992 -10.842 4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.541 -10.905 6.456 1.00 0.00 H new ATOM 422 N VAL A 30 -7.677 -10.274 6.857 1.00 0.00 N ATOM 423 CA VAL A 30 -8.689 -10.577 7.865 1.00 0.00 C ATOM 424 C VAL A 30 -9.721 -9.449 7.997 1.00 0.00 C ATOM 425 O VAL A 30 -10.691 -9.566 8.741 1.00 0.00 O ATOM 426 CB VAL A 30 -7.970 -10.856 9.190 1.00 0.00 C ATOM 427 CG1 VAL A 30 -7.309 -9.592 9.746 1.00 0.00 C ATOM 428 CG2 VAL A 30 -8.923 -11.420 10.237 1.00 0.00 C ATOM 0 H VAL A 30 -7.357 -9.306 6.873 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.256 -11.458 7.564 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.200 -11.597 8.974 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.809 -9.826 10.686 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.578 -9.218 9.029 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.069 -8.830 9.920 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.378 -11.605 11.163 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.723 -10.704 10.424 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.350 -12.355 9.874 1.00 0.00 H new ATOM 438 N GLY A 31 -9.520 -8.350 7.271 1.00 0.00 N ATOM 439 CA GLY A 31 -10.388 -7.184 7.333 1.00 0.00 C ATOM 440 C GLY A 31 -9.979 -6.169 6.277 1.00 0.00 C ATOM 441 O GLY A 31 -9.516 -6.551 5.205 1.00 0.00 O ATOM 0 H GLY A 31 -8.742 -8.247 6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.424 -7.484 7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.332 -6.732 8.323 1.00 0.00 H new ATOM 445 N CYS A 32 -10.146 -4.878 6.576 1.00 0.00 N ATOM 446 CA CYS A 32 -9.730 -3.814 5.674 1.00 0.00 C ATOM 447 C CYS A 32 -8.810 -2.830 6.386 1.00 0.00 C ATOM 448 O CYS A 32 -9.019 -2.498 7.555 1.00 0.00 O ATOM 449 CB CYS A 32 -10.955 -3.129 5.070 1.00 0.00 C ATOM 450 SG CYS A 32 -11.878 -4.208 3.952 1.00 0.00 S ATOM 0 H CYS A 32 -10.570 -4.548 7.443 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.156 -4.245 4.853 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.613 -2.797 5.873 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.638 -2.238 4.528 1.00 0.00 H new ATOM 455 N VAL A 33 -7.785 -2.364 5.669 1.00 0.00 N ATOM 456 CA VAL A 33 -6.736 -1.527 6.243 1.00 0.00 C ATOM 457 C VAL A 33 -6.235 -0.495 5.237 1.00 0.00 C ATOM 458 O VAL A 33 -6.566 -0.545 4.055 1.00 0.00 O ATOM 459 CB VAL A 33 -5.564 -2.400 6.717 1.00 0.00 C ATOM 460 CG1 VAL A 33 -5.988 -3.389 7.803 1.00 0.00 C ATOM 461 CG2 VAL A 33 -4.960 -3.188 5.552 1.00 0.00 C ATOM 0 H VAL A 33 -7.661 -2.558 4.675 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.162 -0.995 7.094 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.821 -1.717 7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.128 -3.985 8.108 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.374 -2.842 8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.765 -4.046 7.413 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.133 -3.797 5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.722 -3.834 5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.595 -2.495 4.794 1.00 0.00 H new ATOM 471 N ARG A 34 -5.423 0.445 5.726 1.00 0.00 N ATOM 472 CA ARG A 34 -4.745 1.459 4.926 1.00 0.00 C ATOM 473 C ARG A 34 -3.325 1.606 5.464 1.00 0.00 C ATOM 474 O ARG A 34 -3.112 1.388 6.654 1.00 0.00 O ATOM 475 CB ARG A 34 -5.512 2.779 4.984 1.00 0.00 C ATOM 476 CG ARG A 34 -5.679 3.269 6.426 1.00 0.00 C ATOM 477 CD ARG A 34 -6.471 4.573 6.449 1.00 0.00 C ATOM 478 NE ARG A 34 -6.719 5.018 7.825 1.00 0.00 N ATOM 479 CZ ARG A 34 -7.359 6.145 8.141 1.00 0.00 C ATOM 480 NH1 ARG A 34 -7.815 6.958 7.192 1.00 0.00 N ATOM 481 NH2 ARG A 34 -7.549 6.466 9.418 1.00 0.00 N ATOM 0 H ARG A 34 -5.215 0.521 6.722 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.705 1.163 3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.984 3.534 4.401 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.493 2.651 4.526 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.193 2.512 7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.701 3.421 6.882 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.923 5.344 5.908 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.420 4.434 5.932 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.381 4.430 8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.677 6.723 6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.303 7.817 7.447 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.205 5.850 10.155 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.038 7.328 9.660 1.00 0.00 H new ATOM 495 N CYS A 35 -2.364 1.970 4.614 1.00 0.00 N ATOM 496 CA CYS A 35 -0.962 2.034 5.007 1.00 0.00 C ATOM 497 C CYS A 35 -0.343 3.390 4.659 1.00 0.00 C ATOM 498 O CYS A 35 -1.040 4.300 4.214 1.00 0.00 O ATOM 499 CB CYS A 35 -0.202 0.903 4.320 1.00 0.00 C ATOM 500 SG CYS A 35 -0.844 -0.778 4.561 1.00 0.00 S ATOM 0 H CYS A 35 -2.537 2.226 3.642 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.894 1.919 6.089 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.181 1.109 3.250 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.830 0.926 4.669 1.00 0.00 H new ATOM 505 N SER A 36 0.974 3.521 4.863 1.00 0.00 N ATOM 506 CA SER A 36 1.684 4.782 4.713 1.00 0.00 C ATOM 507 C SER A 36 2.546 4.865 3.450 1.00 0.00 C ATOM 508 O SER A 36 2.761 5.961 2.932 1.00 0.00 O ATOM 509 CB SER A 36 2.567 4.972 5.944 1.00 0.00 C ATOM 510 OG SER A 36 1.768 5.136 7.099 1.00 0.00 O ATOM 0 H SER A 36 1.575 2.744 5.139 1.00 0.00 H new ATOM 0 HA SER A 36 0.937 5.569 4.616 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.223 4.110 6.066 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.208 5.844 5.810 1.00 0.00 H new ATOM 0 HG SER A 36 2.333 5.413 7.851 1.00 0.00 H new ATOM 516 N ASN A 37 3.044 3.733 2.937 1.00 0.00 N ATOM 517 CA ASN A 37 3.906 3.721 1.758 1.00 0.00 C ATOM 518 C ASN A 37 3.845 2.345 1.085 1.00 0.00 C ATOM 519 O ASN A 37 3.106 1.471 1.544 1.00 0.00 O ATOM 520 CB ASN A 37 5.337 4.082 2.195 1.00 0.00 C ATOM 521 CG ASN A 37 6.237 4.466 1.030 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.772 4.688 -0.083 1.00 0.00 O ATOM 523 ND2 ASN A 37 7.539 4.552 1.283 1.00 0.00 N ATOM 0 H ASN A 37 2.860 2.809 3.327 1.00 0.00 H new ATOM 0 HA ASN A 37 3.570 4.456 1.026 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.296 4.909 2.903 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.775 3.234 2.721 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.187 4.810 0.539 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.890 4.360 2.221 1.00 0.00 H new ATOM 530 N ALA A 38 4.606 2.134 0.005 1.00 0.00 N ATOM 531 CA ALA A 38 4.575 0.878 -0.729 1.00 0.00 C ATOM 532 C ALA A 38 5.896 0.588 -1.443 1.00 0.00 C ATOM 533 O ALA A 38 6.762 1.454 -1.546 1.00 0.00 O ATOM 534 CB ALA A 38 3.456 0.948 -1.764 1.00 0.00 C ATOM 0 H ALA A 38 5.252 2.825 -0.376 1.00 0.00 H new ATOM 0 HA ALA A 38 4.405 0.074 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.419 0.013 -2.324 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.503 1.107 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.646 1.774 -2.449 1.00 0.00 H new ATOM 540 N GLN A 39 6.026 -0.647 -1.931 1.00 0.00 N ATOM 541 CA GLN A 39 7.141 -1.094 -2.749 1.00 0.00 C ATOM 542 C GLN A 39 6.669 -2.245 -3.634 1.00 0.00 C ATOM 543 O GLN A 39 5.566 -2.759 -3.444 1.00 0.00 O ATOM 544 CB GLN A 39 8.310 -1.535 -1.862 1.00 0.00 C ATOM 545 CG GLN A 39 7.930 -2.708 -0.955 1.00 0.00 C ATOM 546 CD GLN A 39 9.161 -3.286 -0.259 1.00 0.00 C ATOM 547 OE1 GLN A 39 9.763 -2.534 0.658 1.00 0.00 O flip ATOM 548 NE2 GLN A 39 9.572 -4.407 -0.544 1.00 0.00 N flip ATOM 0 H GLN A 39 5.337 -1.379 -1.760 1.00 0.00 H new ATOM 0 HA GLN A 39 7.491 -0.274 -3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.154 -1.821 -2.490 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.638 -0.695 -1.250 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.209 -2.376 -0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.443 -3.485 -1.545 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.091 -4.962 -1.251 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.395 -4.783 -0.073 1.00 0.00 H new ATOM 557 N CYS A 40 7.494 -2.657 -4.599 1.00 0.00 N ATOM 558 CA CYS A 40 7.155 -3.787 -5.450 1.00 0.00 C ATOM 559 C CYS A 40 8.039 -4.984 -5.113 1.00 0.00 C ATOM 560 O CYS A 40 9.207 -4.821 -4.762 1.00 0.00 O ATOM 561 CB CYS A 40 7.228 -3.394 -6.924 1.00 0.00 C ATOM 562 SG CYS A 40 6.270 -1.910 -7.328 1.00 0.00 S ATOM 0 H CYS A 40 8.395 -2.225 -4.806 1.00 0.00 H new ATOM 0 HA CYS A 40 6.124 -4.086 -5.259 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.270 -3.228 -7.196 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.868 -4.225 -7.531 1.00 0.00 H new ATOM 567 N THR A 41 7.475 -6.188 -5.223 1.00 0.00 N ATOM 568 CA THR A 41 8.149 -7.426 -4.853 1.00 0.00 C ATOM 569 C THR A 41 7.977 -8.487 -5.937 1.00 0.00 C ATOM 570 O THR A 41 7.364 -8.236 -6.973 1.00 0.00 O ATOM 571 CB THR A 41 7.603 -7.936 -3.516 1.00 0.00 C ATOM 572 OG1 THR A 41 6.224 -8.205 -3.644 1.00 0.00 O ATOM 573 CG2 THR A 41 7.806 -6.906 -2.407 1.00 0.00 C ATOM 0 H THR A 41 6.528 -6.329 -5.575 1.00 0.00 H new ATOM 0 HA THR A 41 9.215 -7.222 -4.749 1.00 0.00 H new ATOM 0 HB THR A 41 8.145 -8.844 -3.252 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.874 -8.533 -2.789 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.408 -7.297 -1.470 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.870 -6.700 -2.292 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.284 -5.985 -2.666 1.00 0.00 H new ATOM 581 N GLY A 42 8.524 -9.681 -5.691 1.00 0.00 N ATOM 582 CA GLY A 42 8.470 -10.786 -6.632 1.00 0.00 C ATOM 583 C GLY A 42 9.793 -10.937 -7.373 1.00 0.00 C ATOM 584 O GLY A 42 10.751 -10.216 -7.101 1.00 0.00 O ATOM 0 H GLY A 42 9.018 -9.902 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.239 -11.710 -6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.665 -10.620 -7.348 1.00 0.00 H new ATOM 588 N PHE A 43 9.840 -11.881 -8.318 1.00 0.00 N ATOM 589 CA PHE A 43 11.046 -12.181 -9.077 1.00 0.00 C ATOM 590 C PHE A 43 11.459 -11.023 -9.990 1.00 0.00 C ATOM 591 O PHE A 43 12.625 -10.932 -10.373 1.00 0.00 O ATOM 592 CB PHE A 43 10.791 -13.441 -9.908 1.00 0.00 C ATOM 593 CG PHE A 43 11.872 -13.734 -10.922 1.00 0.00 C ATOM 594 CD1 PHE A 43 13.110 -14.244 -10.510 1.00 0.00 C ATOM 595 CD2 PHE A 43 11.637 -13.486 -12.281 1.00 0.00 C ATOM 596 CE1 PHE A 43 14.113 -14.498 -11.455 1.00 0.00 C ATOM 597 CE2 PHE A 43 12.642 -13.735 -13.226 1.00 0.00 C ATOM 598 CZ PHE A 43 13.881 -14.237 -12.813 1.00 0.00 C ATOM 0 H PHE A 43 9.038 -12.457 -8.575 1.00 0.00 H new ATOM 0 HA PHE A 43 11.867 -12.338 -8.377 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.695 -14.294 -9.236 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.838 -13.336 -10.427 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.291 -14.441 -9.464 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.680 -13.102 -12.601 1.00 0.00 H new ATOM 0 HE1 PHE A 43 15.066 -14.895 -11.137 1.00 0.00 H new ATOM 0 HE2 PHE A 43 12.460 -13.539 -14.272 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.658 -14.423 -13.540 1.00 0.00 H new ATOM 608 N LEU A 44 10.520 -10.137 -10.339 1.00 0.00 N ATOM 609 CA LEU A 44 10.798 -9.046 -11.263 1.00 0.00 C ATOM 610 C LEU A 44 10.027 -7.781 -10.878 1.00 0.00 C ATOM 611 O LEU A 44 9.822 -6.898 -11.710 1.00 0.00 O ATOM 612 CB LEU A 44 10.493 -9.527 -12.690 1.00 0.00 C ATOM 613 CG LEU A 44 11.175 -8.700 -13.789 1.00 0.00 C ATOM 614 CD1 LEU A 44 12.696 -8.769 -13.676 1.00 0.00 C ATOM 615 CD2 LEU A 44 10.773 -9.269 -15.149 1.00 0.00 C ATOM 0 H LEU A 44 9.561 -10.159 -9.992 1.00 0.00 H new ATOM 0 HA LEU A 44 11.851 -8.768 -11.213 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.805 -10.567 -12.786 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.415 -9.502 -12.848 1.00 0.00 H new ATOM 0 HG LEU A 44 10.861 -7.662 -13.680 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.147 -8.173 -14.469 1.00 0.00 H new ATOM 0 HD12 LEU A 44 13.007 -8.379 -12.707 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.021 -9.805 -13.771 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.250 -8.691 -15.941 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.091 -10.309 -15.217 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.690 -9.213 -15.261 1.00 0.00 H new ATOM 627 N GLY A 45 9.591 -7.681 -9.616 1.00 0.00 N ATOM 628 CA GLY A 45 8.857 -6.517 -9.142 1.00 0.00 C ATOM 629 C GLY A 45 7.416 -6.501 -9.644 1.00 0.00 C ATOM 630 O GLY A 45 6.783 -5.447 -9.651 1.00 0.00 O ATOM 0 H GLY A 45 9.738 -8.400 -8.907 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.860 -6.506 -8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.365 -5.610 -9.471 1.00 0.00 H new ATOM 634 N THR A 46 6.890 -7.655 -10.066 1.00 0.00 N ATOM 635 CA THR A 46 5.560 -7.763 -10.648 1.00 0.00 C ATOM 636 C THR A 46 4.452 -7.834 -9.596 1.00 0.00 C ATOM 637 O THR A 46 3.282 -7.981 -9.951 1.00 0.00 O ATOM 638 CB THR A 46 5.496 -8.971 -11.583 1.00 0.00 C ATOM 639 OG1 THR A 46 5.887 -10.132 -10.883 1.00 0.00 O ATOM 640 CG2 THR A 46 6.433 -8.773 -12.772 1.00 0.00 C ATOM 0 H THR A 46 7.385 -8.545 -10.010 1.00 0.00 H new ATOM 0 HA THR A 46 5.384 -6.851 -11.218 1.00 0.00 H new ATOM 0 HB THR A 46 4.473 -9.077 -11.944 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.844 -10.906 -11.483 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.376 -9.641 -13.428 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.137 -7.881 -13.324 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.456 -8.655 -12.414 1.00 0.00 H new ATOM 648 N THR A 47 4.800 -7.730 -8.313 1.00 0.00 N ATOM 649 CA THR A 47 3.836 -7.780 -7.220 1.00 0.00 C ATOM 650 C THR A 47 3.877 -6.470 -6.434 1.00 0.00 C ATOM 651 O THR A 47 4.905 -5.794 -6.408 1.00 0.00 O ATOM 652 CB THR A 47 4.134 -8.993 -6.338 1.00 0.00 C ATOM 653 OG1 THR A 47 4.115 -10.165 -7.125 1.00 0.00 O ATOM 654 CG2 THR A 47 3.092 -9.148 -5.236 1.00 0.00 C ATOM 0 H THR A 47 5.764 -7.608 -8.004 1.00 0.00 H new ATOM 0 HA THR A 47 2.825 -7.892 -7.611 1.00 0.00 H new ATOM 0 HB THR A 47 5.114 -8.841 -5.886 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.308 -10.942 -6.560 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.333 -10.019 -4.627 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.090 -8.256 -4.609 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.107 -9.279 -5.683 1.00 0.00 H new ATOM 662 N CYS A 48 2.760 -6.113 -5.796 1.00 0.00 N ATOM 663 CA CYS A 48 2.653 -4.896 -5.006 1.00 0.00 C ATOM 664 C CYS A 48 2.553 -5.235 -3.520 1.00 0.00 C ATOM 665 O CYS A 48 1.828 -6.156 -3.146 1.00 0.00 O ATOM 666 CB CYS A 48 1.432 -4.102 -5.480 1.00 0.00 C ATOM 667 SG CYS A 48 1.027 -2.644 -4.478 1.00 0.00 S ATOM 0 H CYS A 48 1.903 -6.666 -5.816 1.00 0.00 H new ATOM 0 HA CYS A 48 3.545 -4.285 -5.142 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.603 -3.782 -6.508 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.568 -4.767 -5.493 1.00 0.00 H new ATOM 672 N THR A 49 3.277 -4.492 -2.680 1.00 0.00 N ATOM 673 CA THR A 49 3.286 -4.687 -1.234 1.00 0.00 C ATOM 674 C THR A 49 3.295 -3.335 -0.529 1.00 0.00 C ATOM 675 O THR A 49 3.867 -2.371 -1.033 1.00 0.00 O ATOM 676 CB THR A 49 4.508 -5.522 -0.843 1.00 0.00 C ATOM 677 OG1 THR A 49 4.445 -6.779 -1.483 1.00 0.00 O ATOM 678 CG2 THR A 49 4.569 -5.763 0.663 1.00 0.00 C ATOM 0 H THR A 49 3.879 -3.730 -2.991 1.00 0.00 H new ATOM 0 HA THR A 49 2.387 -5.222 -0.926 1.00 0.00 H new ATOM 0 HB THR A 49 5.395 -4.967 -1.150 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.228 -7.313 -1.234 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.450 -6.359 0.901 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.627 -4.807 1.182 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.673 -6.296 0.983 1.00 0.00 H new ATOM 686 N CYS A 50 2.658 -3.261 0.643 1.00 0.00 N ATOM 687 CA CYS A 50 2.550 -2.023 1.399 1.00 0.00 C ATOM 688 C CYS A 50 3.560 -1.975 2.548 1.00 0.00 C ATOM 689 O CYS A 50 4.145 -2.994 2.921 1.00 0.00 O ATOM 690 CB CYS A 50 1.118 -1.853 1.906 1.00 0.00 C ATOM 691 SG CYS A 50 -0.153 -1.921 0.613 1.00 0.00 S ATOM 0 H CYS A 50 2.206 -4.059 1.089 1.00 0.00 H new ATOM 0 HA CYS A 50 2.788 -1.190 0.738 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.912 -2.631 2.641 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.041 -0.897 2.423 1.00 0.00 H new ATOM 696 N ILE A 51 3.759 -0.777 3.101 1.00 0.00 N ATOM 697 CA ILE A 51 4.713 -0.525 4.173 1.00 0.00 C ATOM 698 C ILE A 51 3.979 -0.153 5.458 1.00 0.00 C ATOM 699 O ILE A 51 2.936 0.501 5.408 1.00 0.00 O ATOM 700 CB ILE A 51 5.663 0.594 3.738 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.401 0.245 2.443 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.673 0.926 4.838 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.327 -0.962 2.585 1.00 0.00 C ATOM 0 H ILE A 51 3.251 0.057 2.808 1.00 0.00 H new ATOM 0 HA ILE A 51 5.292 -1.426 4.373 1.00 0.00 H new ATOM 0 HB ILE A 51 5.045 1.472 3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.671 0.044 1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.985 1.107 2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.333 1.724 4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.142 1.251 5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.265 0.040 5.068 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.820 -1.157 1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.079 -0.756 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.744 -1.835 2.877 1.00 0.00 H new ATOM 715 N ASN A 52 4.523 -0.564 6.603 1.00 0.00 N ATOM 716 CA ASN A 52 3.919 -0.304 7.904 1.00 0.00 C ATOM 717 C ASN A 52 4.075 1.169 8.292 1.00 0.00 C ATOM 718 O ASN A 52 4.990 1.838 7.816 1.00 0.00 O ATOM 719 CB ASN A 52 4.558 -1.238 8.940 1.00 0.00 C ATOM 720 CG ASN A 52 6.052 -0.985 9.087 1.00 0.00 C ATOM 721 OD1 ASN A 52 6.858 -1.546 8.349 1.00 0.00 O ATOM 722 ND2 ASN A 52 6.434 -0.134 10.036 1.00 0.00 N ATOM 0 H ASN A 52 5.397 -1.088 6.652 1.00 0.00 H new ATOM 0 HA ASN A 52 2.848 -0.505 7.862 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.070 -1.099 9.904 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.392 -2.274 8.646 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.424 0.071 10.169 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.736 0.314 10.631 1.00 0.00 H new ATOM 729 N PRO A 53 3.199 1.694 9.158 1.00 0.00 N ATOM 730 CA PRO A 53 2.064 1.013 9.762 1.00 0.00 C ATOM 731 C PRO A 53 0.927 0.825 8.758 1.00 0.00 C ATOM 732 O PRO A 53 0.907 1.458 7.703 1.00 0.00 O ATOM 733 CB PRO A 53 1.630 1.922 10.909 1.00 0.00 C ATOM 734 CG PRO A 53 1.972 3.317 10.386 1.00 0.00 C ATOM 735 CD PRO A 53 3.272 3.065 9.624 1.00 0.00 C ATOM 0 HA PRO A 53 2.328 0.012 10.103 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.566 1.821 11.125 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.165 1.693 11.831 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.190 3.712 9.738 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.107 4.034 11.196 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.375 3.757 8.788 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.138 3.213 10.269 1.00 0.00 H new ATOM 743 N CYS A 54 -0.013 -0.053 9.104 1.00 0.00 N ATOM 744 CA CYS A 54 -1.186 -0.335 8.292 1.00 0.00 C ATOM 745 C CYS A 54 -2.434 -0.435 9.176 1.00 0.00 C ATOM 746 O CYS A 54 -2.982 -1.522 9.349 1.00 0.00 O ATOM 747 CB CYS A 54 -0.973 -1.625 7.501 1.00 0.00 C ATOM 748 SG CYS A 54 0.213 -1.550 6.133 1.00 0.00 S ATOM 0 H CYS A 54 0.023 -0.593 9.968 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.336 0.482 7.587 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.645 -2.400 8.194 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.936 -1.942 7.100 1.00 0.00 H new ATOM 753 N PRO A 55 -2.898 0.686 9.751 1.00 0.00 N ATOM 754 CA PRO A 55 -4.082 0.735 10.594 1.00 0.00 C ATOM 755 C PRO A 55 -5.349 0.377 9.814 1.00 0.00 C ATOM 756 O PRO A 55 -5.362 0.385 8.584 1.00 0.00 O ATOM 757 CB PRO A 55 -4.138 2.169 11.127 1.00 0.00 C ATOM 758 CG PRO A 55 -3.413 2.970 10.047 1.00 0.00 C ATOM 759 CD PRO A 55 -2.309 2.007 9.620 1.00 0.00 C ATOM 0 HA PRO A 55 -4.027 0.006 11.402 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.165 2.510 11.260 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.644 2.259 12.095 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.073 3.227 9.218 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.010 3.905 10.435 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.991 2.199 8.595 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.427 2.111 10.252 1.00 0.00 H new ATOM 767 N ARG A 56 -6.424 0.057 10.541 1.00 0.00 N ATOM 768 CA ARG A 56 -7.689 -0.370 9.960 1.00 0.00 C ATOM 769 C ARG A 56 -8.453 0.803 9.347 1.00 0.00 C ATOM 770 O ARG A 56 -8.199 1.963 9.673 1.00 0.00 O ATOM 771 CB ARG A 56 -8.536 -1.084 11.017 1.00 0.00 C ATOM 772 CG ARG A 56 -7.824 -2.349 11.508 1.00 0.00 C ATOM 773 CD ARG A 56 -8.703 -3.113 12.495 1.00 0.00 C ATOM 774 NE ARG A 56 -8.945 -2.334 13.712 1.00 0.00 N ATOM 775 CZ ARG A 56 -9.743 -2.732 14.708 1.00 0.00 C ATOM 776 NH1 ARG A 56 -10.384 -3.894 14.645 1.00 0.00 N ATOM 777 NH2 ARG A 56 -9.902 -1.960 15.781 1.00 0.00 N ATOM 0 H ARG A 56 -6.435 0.089 11.560 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.472 -1.068 9.152 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.721 -0.414 11.857 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.508 -1.346 10.598 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.581 -2.988 10.659 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.881 -2.080 11.985 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.655 -3.357 12.023 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.224 -4.057 12.755 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.476 -1.433 13.805 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.270 -4.495 13.829 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.990 -4.185 15.413 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.415 -1.066 15.843 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.511 -2.263 16.541 1.00 0.00 H new ATOM 791 N CYS A 57 -9.396 0.483 8.458 1.00 0.00 N ATOM 792 CA CYS A 57 -10.230 1.464 7.780 1.00 0.00 C ATOM 793 C CYS A 57 -11.611 0.872 7.509 1.00 0.00 C ATOM 794 O CYS A 57 -11.695 -0.027 6.644 1.00 0.00 O ATOM 795 CB CYS A 57 -9.541 1.890 6.481 1.00 0.00 C ATOM 796 SG CYS A 57 -10.494 3.063 5.483 1.00 0.00 S ATOM 797 OXT CYS A 57 -12.570 1.324 8.173 1.00 0.00 O ATOM 0 H CYS A 57 -9.600 -0.479 8.189 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.363 2.344 8.409 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.577 2.337 6.724 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.339 1.002 5.882 1.00 0.00 H new