USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 370 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 Single : A 1 ARG N :NH3+ -169:sc= -0.388 (180deg=-0.681) USER MOD Single : A 10 TYR OH : rot 146:sc= 0.513 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -1.5! USER MOD Single : A 24 ASN : amide:sc= -2.82 K(o=-2.8,f=-14!) USER MOD Single : A 26 LYS NZ :NH3+ 167:sc=-0.00035 (180deg=-0.0767) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 32 THR OG1 : rot 28:sc= 0.251 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.63! C(o=-1.6!,f=-4.3!) USER MOD Single : A 44 ASN : amide:sc= -1.98 K(o=-2,f=-1.1) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0527 USER MOD Single : A 54 THR OG1 : rot 121:sc= 0.441! USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -9.034 -12.192 -1.116 1.00 0.00 N ATOM 2 CA ARG A 1 -8.272 -10.976 -0.730 1.00 0.00 C ATOM 3 C ARG A 1 -8.976 -10.221 0.395 1.00 0.00 C ATOM 4 O ARG A 1 -10.205 -10.201 0.462 1.00 0.00 O ATOM 5 CB ARG A 1 -8.131 -10.076 -1.959 1.00 0.00 C ATOM 6 CG ARG A 1 -7.678 -10.814 -3.209 1.00 0.00 C ATOM 7 CD ARG A 1 -8.837 -11.057 -4.163 1.00 0.00 C ATOM 8 NE ARG A 1 -9.250 -9.834 -4.846 1.00 0.00 N ATOM 9 CZ ARG A 1 -8.600 -9.306 -5.881 1.00 0.00 C ATOM 10 NH1 ARG A 1 -7.503 -9.886 -6.351 1.00 0.00 N ATOM 11 NH2 ARG A 1 -9.047 -8.192 -6.445 1.00 0.00 N ATOM 0 H1 ARG A 1 -8.451 -12.782 -1.743 1.00 0.00 H new ATOM 0 H2 ARG A 1 -9.281 -12.733 -0.262 1.00 0.00 H new ATOM 0 H3 ARG A 1 -9.904 -11.913 -1.613 1.00 0.00 H new ATOM 0 HA ARG A 1 -7.288 -11.271 -0.366 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -9.089 -9.596 -2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -7.417 -9.283 -1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -6.905 -10.235 -3.714 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -7.231 -11.767 -2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -8.548 -11.805 -4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -9.682 -11.466 -3.610 1.00 0.00 H new ATOM 0 HE ARG A 1 -10.086 -9.356 -4.510 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -7.153 -10.741 -5.919 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -7.010 -9.477 -7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -9.888 -7.740 -6.086 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -8.550 -7.787 -7.238 1.00 0.00 H new ATOM 27 N PRO A 2 -8.207 -9.589 1.299 1.00 0.00 N ATOM 28 CA PRO A 2 -8.781 -8.837 2.416 1.00 0.00 C ATOM 29 C PRO A 2 -9.639 -7.666 1.934 1.00 0.00 C ATOM 30 O PRO A 2 -9.261 -6.939 1.017 1.00 0.00 O ATOM 31 CB PRO A 2 -7.565 -8.342 3.208 1.00 0.00 C ATOM 32 CG PRO A 2 -6.391 -9.116 2.696 1.00 0.00 C ATOM 33 CD PRO A 2 -6.735 -9.562 1.303 1.00 0.00 C ATOM 0 HA PRO A 2 -9.450 -9.453 3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.417 -7.271 3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.703 -8.506 4.277 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.493 -8.498 2.693 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.185 -9.974 3.336 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.345 -8.873 0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.316 -10.544 1.082 1.00 0.00 H new ATOM 41 N ASP A 3 -10.810 -7.512 2.543 1.00 0.00 N ATOM 42 CA ASP A 3 -11.754 -6.454 2.175 1.00 0.00 C ATOM 43 C ASP A 3 -11.092 -5.080 2.065 1.00 0.00 C ATOM 44 O ASP A 3 -11.164 -4.433 1.021 1.00 0.00 O ATOM 45 CB ASP A 3 -12.891 -6.395 3.198 1.00 0.00 C ATOM 46 CG ASP A 3 -14.213 -6.871 2.625 1.00 0.00 C ATOM 47 OD1 ASP A 3 -14.461 -8.095 2.644 1.00 0.00 O ATOM 48 OD2 ASP A 3 -15.001 -6.019 2.163 1.00 0.00 O ATOM 0 H ASP A 3 -11.134 -8.112 3.302 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.143 -6.704 1.188 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.631 -7.008 4.061 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.001 -5.371 3.555 1.00 0.00 H new ATOM 53 N PHE A 4 -10.478 -4.627 3.151 1.00 0.00 N ATOM 54 CA PHE A 4 -9.838 -3.309 3.182 1.00 0.00 C ATOM 55 C PHE A 4 -8.908 -3.089 1.992 1.00 0.00 C ATOM 56 O PHE A 4 -8.657 -1.951 1.596 1.00 0.00 O ATOM 57 CB PHE A 4 -9.053 -3.123 4.481 1.00 0.00 C ATOM 58 CG PHE A 4 -8.291 -4.341 4.908 1.00 0.00 C ATOM 59 CD1 PHE A 4 -7.004 -4.560 4.452 1.00 0.00 C ATOM 60 CD2 PHE A 4 -8.864 -5.267 5.759 1.00 0.00 C ATOM 61 CE1 PHE A 4 -6.303 -5.684 4.836 1.00 0.00 C ATOM 62 CE2 PHE A 4 -8.168 -6.392 6.149 1.00 0.00 C ATOM 63 CZ PHE A 4 -6.886 -6.601 5.686 1.00 0.00 C ATOM 0 H PHE A 4 -10.407 -5.150 4.024 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.638 -2.570 3.125 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.356 -2.295 4.357 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.745 -2.842 5.275 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.543 -3.843 3.788 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.868 -5.108 6.123 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.299 -5.846 4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -8.626 -7.108 6.816 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.339 -7.482 5.988 1.00 0.00 H new ATOM 73 N CYS A 5 -8.399 -4.173 1.420 1.00 0.00 N ATOM 74 CA CYS A 5 -7.500 -4.070 0.277 1.00 0.00 C ATOM 75 C CYS A 5 -8.199 -3.392 -0.892 1.00 0.00 C ATOM 76 O CYS A 5 -7.560 -2.774 -1.744 1.00 0.00 O ATOM 77 CB CYS A 5 -6.997 -5.445 -0.140 1.00 0.00 C ATOM 78 SG CYS A 5 -6.039 -6.303 1.147 1.00 0.00 S ATOM 0 H CYS A 5 -8.591 -5.127 1.726 1.00 0.00 H new ATOM 0 HA CYS A 5 -6.644 -3.464 0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -7.850 -6.064 -0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.377 -5.339 -1.030 1.00 0.00 H new ATOM 83 N LEU A 6 -9.519 -3.510 -0.913 1.00 0.00 N ATOM 84 CA LEU A 6 -10.328 -2.907 -1.968 1.00 0.00 C ATOM 85 C LEU A 6 -10.618 -1.436 -1.661 1.00 0.00 C ATOM 86 O LEU A 6 -11.080 -0.695 -2.528 1.00 0.00 O ATOM 87 CB LEU A 6 -11.651 -3.662 -2.123 1.00 0.00 C ATOM 88 CG LEU A 6 -11.567 -5.181 -1.951 1.00 0.00 C ATOM 89 CD1 LEU A 6 -12.959 -5.795 -1.964 1.00 0.00 C ATOM 90 CD2 LEU A 6 -10.703 -5.790 -3.045 1.00 0.00 C ATOM 0 H LEU A 6 -10.056 -4.019 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.763 -2.969 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.360 -3.270 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -12.058 -3.448 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 6 -11.106 -5.397 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -12.881 -6.875 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -13.548 -5.378 -1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -13.446 -5.572 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.653 -6.870 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.138 -5.566 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.698 -5.370 -2.991 1.00 0.00 H new ATOM 102 N GLU A 7 -10.353 -1.024 -0.422 1.00 0.00 N ATOM 103 CA GLU A 7 -10.594 0.352 -0.001 1.00 0.00 C ATOM 104 C GLU A 7 -9.572 1.310 -0.613 1.00 0.00 C ATOM 105 O GLU A 7 -8.381 1.233 -0.309 1.00 0.00 O ATOM 106 CB GLU A 7 -10.551 0.452 1.526 1.00 0.00 C ATOM 107 CG GLU A 7 -11.584 1.405 2.104 1.00 0.00 C ATOM 108 CD GLU A 7 -12.371 0.790 3.244 1.00 0.00 C ATOM 109 OE1 GLU A 7 -12.941 -0.304 3.051 1.00 0.00 O ATOM 110 OE2 GLU A 7 -12.418 1.401 4.332 1.00 0.00 O ATOM 0 H GLU A 7 -9.971 -1.626 0.307 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.584 0.640 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.706 -0.540 1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.557 0.778 1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.084 2.306 2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.272 1.711 1.316 1.00 0.00 H new ATOM 117 N PRO A 8 -10.025 2.234 -1.482 1.00 0.00 N ATOM 118 CA PRO A 8 -9.157 3.207 -2.129 1.00 0.00 C ATOM 119 C PRO A 8 -9.101 4.526 -1.362 1.00 0.00 C ATOM 120 O PRO A 8 -10.045 4.879 -0.654 1.00 0.00 O ATOM 121 CB PRO A 8 -9.852 3.399 -3.472 1.00 0.00 C ATOM 122 CG PRO A 8 -11.311 3.254 -3.167 1.00 0.00 C ATOM 123 CD PRO A 8 -11.423 2.414 -1.911 1.00 0.00 C ATOM 0 HA PRO A 8 -8.120 2.879 -2.196 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.631 4.379 -3.896 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.523 2.656 -4.198 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.772 4.230 -3.020 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.832 2.777 -3.997 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.015 2.916 -1.146 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.906 1.458 -2.111 1.00 0.00 H new ATOM 131 N PRO A 9 -7.998 5.284 -1.497 1.00 0.00 N ATOM 132 CA PRO A 9 -7.842 6.569 -0.816 1.00 0.00 C ATOM 133 C PRO A 9 -8.615 7.685 -1.506 1.00 0.00 C ATOM 134 O PRO A 9 -8.746 7.694 -2.729 1.00 0.00 O ATOM 135 CB PRO A 9 -6.343 6.830 -0.920 1.00 0.00 C ATOM 136 CG PRO A 9 -5.953 6.186 -2.202 1.00 0.00 C ATOM 137 CD PRO A 9 -6.818 4.959 -2.331 1.00 0.00 C ATOM 0 HA PRO A 9 -8.223 6.543 0.205 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.123 7.898 -0.927 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.803 6.399 -0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.109 6.863 -3.042 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.896 5.920 -2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.098 4.771 -3.368 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.306 4.066 -1.972 1.00 0.00 H new ATOM 145 N TYR A 10 -9.105 8.636 -0.720 1.00 0.00 N ATOM 146 CA TYR A 10 -9.849 9.763 -1.272 1.00 0.00 C ATOM 147 C TYR A 10 -8.890 10.859 -1.728 1.00 0.00 C ATOM 148 O TYR A 10 -7.991 11.258 -0.989 1.00 0.00 O ATOM 149 CB TYR A 10 -10.860 10.320 -0.258 1.00 0.00 C ATOM 150 CG TYR A 10 -10.298 10.617 1.120 1.00 0.00 C ATOM 151 CD1 TYR A 10 -10.037 9.594 2.025 1.00 0.00 C ATOM 152 CD2 TYR A 10 -10.051 11.925 1.522 1.00 0.00 C ATOM 153 CE1 TYR A 10 -9.543 9.865 3.287 1.00 0.00 C ATOM 154 CE2 TYR A 10 -9.561 12.204 2.784 1.00 0.00 C ATOM 155 CZ TYR A 10 -9.309 11.171 3.663 1.00 0.00 C ATOM 156 OH TYR A 10 -8.819 11.443 4.921 1.00 0.00 O ATOM 0 H TYR A 10 -9.002 8.651 0.295 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.410 9.403 -2.135 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -11.289 11.237 -0.663 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -11.676 9.605 -0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.224 8.570 1.737 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.245 12.737 0.837 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.341 9.058 3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.376 13.226 3.081 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.225 12.221 4.879 1.00 0.00 H new ATOM 166 N ALA A 11 -9.079 11.326 -2.957 1.00 0.00 N ATOM 167 CA ALA A 11 -8.227 12.365 -3.519 1.00 0.00 C ATOM 168 C ALA A 11 -8.875 13.736 -3.388 1.00 0.00 C ATOM 169 O ALA A 11 -9.579 14.190 -4.290 1.00 0.00 O ATOM 170 CB ALA A 11 -7.921 12.059 -4.978 1.00 0.00 C ATOM 0 H ALA A 11 -9.816 11.001 -3.583 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.293 12.381 -2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.283 12.842 -5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.408 11.100 -5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.852 12.016 -5.544 1.00 0.00 H new ATOM 176 N GLY A 12 -8.634 14.392 -2.259 1.00 0.00 N ATOM 177 CA GLY A 12 -9.209 15.706 -2.031 1.00 0.00 C ATOM 178 C GLY A 12 -9.372 16.020 -0.557 1.00 0.00 C ATOM 179 O GLY A 12 -9.525 15.115 0.264 1.00 0.00 O ATOM 0 H GLY A 12 -8.052 14.039 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.574 16.462 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.181 15.764 -2.521 1.00 0.00 H new ATOM 183 N ALA A 13 -9.341 17.304 -0.222 1.00 0.00 N ATOM 184 CA ALA A 13 -9.488 17.734 1.161 1.00 0.00 C ATOM 185 C ALA A 13 -8.398 17.125 2.038 1.00 0.00 C ATOM 186 O ALA A 13 -8.644 16.752 3.185 1.00 0.00 O ATOM 187 CB ALA A 13 -10.867 17.358 1.684 1.00 0.00 C ATOM 0 H ALA A 13 -9.215 18.065 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.384 18.818 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.965 17.685 2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.631 17.843 1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.994 16.277 1.631 1.00 0.00 H new ATOM 193 N CYS A 14 -7.196 17.022 1.484 1.00 0.00 N ATOM 194 CA CYS A 14 -6.067 16.452 2.202 1.00 0.00 C ATOM 195 C CYS A 14 -4.757 16.831 1.519 1.00 0.00 C ATOM 196 O CYS A 14 -4.753 17.241 0.358 1.00 0.00 O ATOM 197 CB CYS A 14 -6.219 14.937 2.271 1.00 0.00 C ATOM 198 SG CYS A 14 -4.982 14.091 3.304 1.00 0.00 S ATOM 0 H CYS A 14 -6.979 17.328 0.535 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.048 16.852 3.216 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.212 14.703 2.654 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.164 14.534 1.260 1.00 0.00 H new ATOM 257 N ALA A 19 5.467 8.172 3.385 1.00 0.00 N ATOM 258 CA ALA A 19 5.814 7.070 4.277 1.00 0.00 C ATOM 259 C ALA A 19 4.647 6.108 4.487 1.00 0.00 C ATOM 260 O ALA A 19 4.582 5.420 5.506 1.00 0.00 O ATOM 261 CB ALA A 19 6.288 7.615 5.616 1.00 0.00 C ATOM 0 HA ALA A 19 6.618 6.507 3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.545 6.786 6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.166 8.243 5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.493 8.207 6.070 1.00 0.00 H new ATOM 267 N ARG A 20 3.735 6.053 3.520 1.00 0.00 N ATOM 268 CA ARG A 20 2.585 5.162 3.614 1.00 0.00 C ATOM 269 C ARG A 20 2.243 4.563 2.252 1.00 0.00 C ATOM 270 O ARG A 20 2.616 5.099 1.207 1.00 0.00 O ATOM 271 CB ARG A 20 1.368 5.894 4.178 1.00 0.00 C ATOM 272 CG ARG A 20 1.623 6.571 5.519 1.00 0.00 C ATOM 273 CD ARG A 20 0.584 7.640 5.815 1.00 0.00 C ATOM 274 NE ARG A 20 -0.431 7.173 6.758 1.00 0.00 N ATOM 275 CZ ARG A 20 -0.671 7.736 7.942 1.00 0.00 C ATOM 276 NH1 ARG A 20 0.019 8.799 8.341 1.00 0.00 N ATOM 277 NH2 ARG A 20 -1.609 7.234 8.732 1.00 0.00 N ATOM 0 H ARG A 20 3.770 6.612 2.667 1.00 0.00 H new ATOM 0 HA ARG A 20 2.853 4.354 4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.042 6.645 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.549 5.184 4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.612 5.823 6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.616 7.020 5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.078 8.522 6.222 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.102 7.944 4.886 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.992 6.364 6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.742 9.193 7.739 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.174 9.221 9.249 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.145 6.419 8.433 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.795 7.662 9.639 1.00 0.00 H new ATOM 291 N TYR A 21 1.540 3.440 2.275 1.00 0.00 N ATOM 292 CA TYR A 21 1.149 2.757 1.047 1.00 0.00 C ATOM 293 C TYR A 21 -0.266 2.193 1.155 1.00 0.00 C ATOM 294 O TYR A 21 -0.870 2.194 2.228 1.00 0.00 O ATOM 295 CB TYR A 21 2.122 1.619 0.731 1.00 0.00 C ATOM 296 CG TYR A 21 3.581 2.018 0.752 1.00 0.00 C ATOM 297 CD1 TYR A 21 4.208 2.385 1.936 1.00 0.00 C ATOM 298 CD2 TYR A 21 4.337 2.009 -0.413 1.00 0.00 C ATOM 299 CE1 TYR A 21 5.545 2.731 1.958 1.00 0.00 C ATOM 300 CE2 TYR A 21 5.673 2.355 -0.401 1.00 0.00 C ATOM 301 CZ TYR A 21 6.274 2.715 0.787 1.00 0.00 C ATOM 302 OH TYR A 21 7.607 3.061 0.807 1.00 0.00 O ATOM 0 H TYR A 21 1.228 2.981 3.131 1.00 0.00 H new ATOM 0 HA TYR A 21 1.175 3.492 0.242 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.968 0.815 1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.883 1.216 -0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.641 2.400 2.855 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.871 1.726 -1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 21 6.017 3.013 2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 21 6.245 2.344 -1.317 1.00 0.00 H new ATOM 0 HH TYR A 21 7.975 2.997 -0.099 1.00 0.00 H new ATOM 312 N PHE A 22 -0.774 1.691 0.034 1.00 0.00 N ATOM 313 CA PHE A 22 -2.103 1.084 -0.019 1.00 0.00 C ATOM 314 C PHE A 22 -2.146 0.017 -1.094 1.00 0.00 C ATOM 315 O PHE A 22 -1.362 0.044 -2.038 1.00 0.00 O ATOM 316 CB PHE A 22 -3.185 2.124 -0.293 1.00 0.00 C ATOM 317 CG PHE A 22 -2.948 2.927 -1.538 1.00 0.00 C ATOM 318 CD1 PHE A 22 -2.040 3.971 -1.544 1.00 0.00 C ATOM 319 CD2 PHE A 22 -3.631 2.630 -2.708 1.00 0.00 C ATOM 320 CE1 PHE A 22 -1.817 4.706 -2.691 1.00 0.00 C ATOM 321 CE2 PHE A 22 -3.412 3.361 -3.859 1.00 0.00 C ATOM 322 CZ PHE A 22 -2.503 4.401 -3.850 1.00 0.00 C ATOM 0 H PHE A 22 -0.281 1.692 -0.859 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.299 0.635 0.955 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.148 1.621 -0.374 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.250 2.801 0.559 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.500 4.214 -0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.342 1.818 -2.719 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.106 5.519 -2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.950 3.120 -4.764 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.329 4.975 -4.748 1.00 0.00 H new ATOM 332 N TYR A 23 -3.063 -0.923 -0.954 1.00 0.00 N ATOM 333 CA TYR A 23 -3.190 -2.003 -1.932 1.00 0.00 C ATOM 334 C TYR A 23 -4.027 -1.562 -3.125 1.00 0.00 C ATOM 335 O TYR A 23 -5.054 -0.902 -2.971 1.00 0.00 O ATOM 336 CB TYR A 23 -3.805 -3.248 -1.299 1.00 0.00 C ATOM 337 CG TYR A 23 -3.907 -4.417 -2.255 1.00 0.00 C ATOM 338 CD1 TYR A 23 -2.784 -5.167 -2.581 1.00 0.00 C ATOM 339 CD2 TYR A 23 -5.120 -4.768 -2.831 1.00 0.00 C ATOM 340 CE1 TYR A 23 -2.870 -6.235 -3.453 1.00 0.00 C ATOM 341 CE2 TYR A 23 -5.214 -5.836 -3.703 1.00 0.00 C ATOM 342 CZ TYR A 23 -4.087 -6.566 -4.011 1.00 0.00 C ATOM 343 OH TYR A 23 -4.177 -7.632 -4.876 1.00 0.00 O ATOM 0 H TYR A 23 -3.728 -0.966 -0.182 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.187 -2.249 -2.280 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.206 -3.543 -0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.800 -3.004 -0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.829 -4.911 -2.146 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.005 -4.197 -2.594 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.988 -6.808 -3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.166 -6.097 -4.141 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.104 -7.731 -5.178 1.00 0.00 H new ATOM 353 N ASN A 24 -3.581 -1.944 -4.312 1.00 0.00 N ATOM 354 CA ASN A 24 -4.280 -1.602 -5.544 1.00 0.00 C ATOM 355 C ASN A 24 -5.007 -2.822 -6.096 1.00 0.00 C ATOM 356 O ASN A 24 -4.441 -3.598 -6.859 1.00 0.00 O ATOM 357 CB ASN A 24 -3.284 -1.064 -6.575 1.00 0.00 C ATOM 358 CG ASN A 24 -3.951 -0.643 -7.865 1.00 0.00 C ATOM 359 OD1 ASN A 24 -4.953 -1.222 -8.281 1.00 0.00 O ATOM 360 ND2 ASN A 24 -3.388 0.367 -8.509 1.00 0.00 N ATOM 0 H ASN A 24 -2.733 -2.494 -4.450 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.018 -0.829 -5.329 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.752 -0.212 -6.151 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.539 -1.830 -6.789 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.785 0.695 -9.389 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.557 0.817 -8.125 1.00 0.00 H new ATOM 367 N ALA A 25 -6.266 -2.987 -5.702 1.00 0.00 N ATOM 368 CA ALA A 25 -7.068 -4.121 -6.151 1.00 0.00 C ATOM 369 C ALA A 25 -7.085 -4.230 -7.676 1.00 0.00 C ATOM 370 O ALA A 25 -7.331 -5.304 -8.225 1.00 0.00 O ATOM 371 CB ALA A 25 -8.488 -4.005 -5.614 1.00 0.00 C ATOM 0 H ALA A 25 -6.753 -2.350 -5.072 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.610 -5.029 -5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.077 -4.856 -5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.465 -3.993 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.940 -3.082 -5.977 1.00 0.00 H new ATOM 377 N LYS A 26 -6.822 -3.117 -8.352 1.00 0.00 N ATOM 378 CA LYS A 26 -6.812 -3.088 -9.813 1.00 0.00 C ATOM 379 C LYS A 26 -5.418 -3.373 -10.385 1.00 0.00 C ATOM 380 O LYS A 26 -5.243 -3.406 -11.603 1.00 0.00 O ATOM 381 CB LYS A 26 -7.311 -1.729 -10.313 1.00 0.00 C ATOM 382 CG LYS A 26 -8.515 -1.824 -11.236 1.00 0.00 C ATOM 383 CD LYS A 26 -8.649 -0.587 -12.111 1.00 0.00 C ATOM 384 CE LYS A 26 -10.090 -0.366 -12.546 1.00 0.00 C ATOM 385 NZ LYS A 26 -10.936 0.148 -11.434 1.00 0.00 N ATOM 0 H LYS A 26 -6.612 -2.221 -7.912 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.479 -3.877 -10.161 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.570 -1.108 -9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.500 -1.225 -10.838 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.422 -2.708 -11.867 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.420 -1.950 -10.642 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.295 0.287 -11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.014 -0.692 -12.991 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.114 0.340 -13.376 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.506 -1.304 -12.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.840 0.491 -11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.116 -0.617 -10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.444 0.929 -10.956 1.00 0.00 H new ATOM 399 N ALA A 27 -4.427 -3.569 -9.514 1.00 0.00 N ATOM 400 CA ALA A 27 -3.062 -3.838 -9.975 1.00 0.00 C ATOM 401 C ALA A 27 -2.377 -4.947 -9.168 1.00 0.00 C ATOM 402 O ALA A 27 -1.257 -5.347 -9.487 1.00 0.00 O ATOM 403 CB ALA A 27 -2.232 -2.565 -9.932 1.00 0.00 C ATOM 0 H ALA A 27 -4.539 -3.547 -8.500 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.135 -4.190 -11.004 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.220 -2.778 -10.277 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.685 -1.813 -10.579 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.195 -2.189 -8.910 1.00 0.00 H new ATOM 409 N GLY A 28 -3.053 -5.455 -8.140 1.00 0.00 N ATOM 410 CA GLY A 28 -2.502 -6.523 -7.336 1.00 0.00 C ATOM 411 C GLY A 28 -1.331 -6.119 -6.449 1.00 0.00 C ATOM 412 O GLY A 28 -0.875 -6.917 -5.630 1.00 0.00 O ATOM 0 H GLY A 28 -3.979 -5.140 -7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.293 -6.929 -6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.178 -7.326 -7.998 1.00 0.00 H new ATOM 416 N LEU A 29 -0.834 -4.900 -6.609 1.00 0.00 N ATOM 417 CA LEU A 29 0.298 -4.432 -5.809 1.00 0.00 C ATOM 418 C LEU A 29 -0.038 -3.149 -5.053 1.00 0.00 C ATOM 419 O LEU A 29 -1.086 -2.542 -5.277 1.00 0.00 O ATOM 420 CB LEU A 29 1.515 -4.202 -6.708 1.00 0.00 C ATOM 421 CG LEU A 29 2.539 -5.337 -6.715 1.00 0.00 C ATOM 422 CD1 LEU A 29 2.074 -6.469 -7.618 1.00 0.00 C ATOM 423 CD2 LEU A 29 3.900 -4.822 -7.158 1.00 0.00 C ATOM 0 H LEU A 29 -1.191 -4.219 -7.279 1.00 0.00 H new ATOM 0 HA LEU A 29 0.526 -5.204 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.168 -4.040 -7.729 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.013 -3.286 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 29 2.632 -5.725 -5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.815 -7.268 -7.611 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.121 -6.855 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.952 -6.096 -8.635 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.617 -5.643 -7.157 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.823 -4.408 -8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.236 -4.046 -6.471 1.00 0.00 H new ATOM 435 N CYS A 30 0.861 -2.738 -4.159 1.00 0.00 N ATOM 436 CA CYS A 30 0.653 -1.522 -3.383 1.00 0.00 C ATOM 437 C CYS A 30 1.468 -0.366 -3.943 1.00 0.00 C ATOM 438 O CYS A 30 2.402 -0.558 -4.722 1.00 0.00 O ATOM 439 CB CYS A 30 1.020 -1.711 -1.910 1.00 0.00 C ATOM 440 SG CYS A 30 0.818 -3.408 -1.272 1.00 0.00 S ATOM 0 H CYS A 30 1.733 -3.227 -3.957 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.410 -1.293 -3.455 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.057 -1.408 -1.769 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.407 -1.039 -1.310 1.00 0.00 H new ATOM 445 N GLN A 31 1.105 0.836 -3.520 1.00 0.00 N ATOM 446 CA GLN A 31 1.790 2.049 -3.949 1.00 0.00 C ATOM 447 C GLN A 31 1.737 3.120 -2.862 1.00 0.00 C ATOM 448 O GLN A 31 0.896 3.066 -1.963 1.00 0.00 O ATOM 449 CB GLN A 31 1.170 2.585 -5.243 1.00 0.00 C ATOM 450 CG GLN A 31 1.479 1.736 -6.465 1.00 0.00 C ATOM 451 CD GLN A 31 0.674 2.149 -7.683 1.00 0.00 C ATOM 452 OE1 GLN A 31 0.390 3.329 -7.884 1.00 0.00 O ATOM 453 NE2 GLN A 31 0.300 1.173 -8.503 1.00 0.00 N ATOM 0 H GLN A 31 0.333 0.999 -2.874 1.00 0.00 H new ATOM 0 HA GLN A 31 2.834 1.797 -4.134 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.089 2.648 -5.119 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.530 3.599 -5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.542 1.810 -6.695 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.274 0.690 -6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.558 0.208 -8.298 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.245 1.389 -9.338 1.00 0.00 H new ATOM 462 N THR A 32 2.634 4.099 -2.958 1.00 0.00 N ATOM 463 CA THR A 32 2.679 5.195 -1.996 1.00 0.00 C ATOM 464 C THR A 32 1.537 6.177 -2.245 1.00 0.00 C ATOM 465 O THR A 32 1.014 6.268 -3.355 1.00 0.00 O ATOM 466 CB THR A 32 4.028 5.918 -2.074 1.00 0.00 C ATOM 467 OG1 THR A 32 4.264 6.664 -0.892 1.00 0.00 O ATOM 468 CG2 THR A 32 4.143 6.873 -3.247 1.00 0.00 C ATOM 0 H THR A 32 3.339 4.155 -3.693 1.00 0.00 H new ATOM 0 HA THR A 32 2.563 4.778 -0.996 1.00 0.00 H new ATOM 0 HB THR A 32 4.766 5.126 -2.203 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.793 6.245 -0.141 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.125 7.347 -3.236 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.017 6.322 -4.179 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.370 7.638 -3.171 1.00 0.00 H new ATOM 476 N PHE A 33 1.165 6.920 -1.209 1.00 0.00 N ATOM 477 CA PHE A 33 0.086 7.898 -1.318 1.00 0.00 C ATOM 478 C PHE A 33 0.525 9.119 -2.122 1.00 0.00 C ATOM 479 O PHE A 33 1.170 10.024 -1.591 1.00 0.00 O ATOM 480 CB PHE A 33 -0.368 8.341 0.068 1.00 0.00 C ATOM 481 CG PHE A 33 -1.125 7.284 0.818 1.00 0.00 C ATOM 482 CD1 PHE A 33 -0.451 6.307 1.531 1.00 0.00 C ATOM 483 CD2 PHE A 33 -2.507 7.265 0.805 1.00 0.00 C ATOM 484 CE1 PHE A 33 -1.144 5.330 2.218 1.00 0.00 C ATOM 485 CE2 PHE A 33 -3.206 6.291 1.490 1.00 0.00 C ATOM 486 CZ PHE A 33 -2.524 5.323 2.198 1.00 0.00 C ATOM 0 H PHE A 33 1.593 6.865 -0.285 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.743 7.419 -1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.505 8.634 0.651 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.997 9.226 -0.030 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.629 6.309 1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.046 8.021 0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.607 4.573 2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.286 6.287 1.472 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.069 4.561 2.736 1.00 0.00 H new ATOM 496 N ALA A 34 0.162 9.144 -3.397 1.00 0.00 N ATOM 497 CA ALA A 34 0.504 10.263 -4.265 1.00 0.00 C ATOM 498 C ALA A 34 -0.407 11.454 -3.993 1.00 0.00 C ATOM 499 O ALA A 34 -1.463 11.314 -3.366 1.00 0.00 O ATOM 500 CB ALA A 34 0.419 9.847 -5.726 1.00 0.00 C ATOM 0 H ALA A 34 -0.369 8.402 -3.853 1.00 0.00 H new ATOM 0 HA ALA A 34 1.530 10.563 -4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.677 10.694 -6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.114 9.028 -5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.596 9.520 -5.953 1.00 0.00 H new ATOM 506 N TYR A 35 -0.003 12.632 -4.469 1.00 0.00 N ATOM 507 CA TYR A 35 -0.793 13.847 -4.277 1.00 0.00 C ATOM 508 C TYR A 35 -1.365 13.917 -2.871 1.00 0.00 C ATOM 509 O TYR A 35 -0.995 13.145 -1.986 1.00 0.00 O ATOM 510 CB TYR A 35 -1.919 13.910 -5.319 1.00 0.00 C ATOM 511 CG TYR A 35 -2.694 12.620 -5.468 1.00 0.00 C ATOM 512 CD1 TYR A 35 -3.743 12.316 -4.613 1.00 0.00 C ATOM 513 CD2 TYR A 35 -2.377 11.709 -6.467 1.00 0.00 C ATOM 514 CE1 TYR A 35 -4.456 11.141 -4.746 1.00 0.00 C ATOM 515 CE2 TYR A 35 -3.085 10.531 -6.608 1.00 0.00 C ATOM 516 CZ TYR A 35 -4.123 10.252 -5.746 1.00 0.00 C ATOM 517 OH TYR A 35 -4.832 9.078 -5.879 1.00 0.00 O ATOM 0 H TYR A 35 0.864 12.770 -4.989 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.136 14.706 -4.410 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.610 14.707 -5.044 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.491 14.178 -6.285 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.007 13.011 -3.829 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.564 11.925 -7.145 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.269 10.920 -4.071 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.826 9.832 -7.390 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.473 8.563 -6.632 1.00 0.00 H new ATOM 527 N GLY A 36 -2.252 14.862 -2.672 1.00 0.00 N ATOM 528 CA GLY A 36 -2.872 15.050 -1.373 1.00 0.00 C ATOM 529 C GLY A 36 -3.749 13.884 -0.926 1.00 0.00 C ATOM 530 O GLY A 36 -4.693 14.092 -0.168 1.00 0.00 O ATOM 0 H GLY A 36 -2.564 15.516 -3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.091 15.209 -0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.477 15.956 -1.399 1.00 0.00 H new ATOM 534 N ALA A 37 -3.455 12.657 -1.373 1.00 0.00 N ATOM 535 CA ALA A 37 -4.260 11.507 -0.961 1.00 0.00 C ATOM 536 C ALA A 37 -4.085 11.228 0.529 1.00 0.00 C ATOM 537 O ALA A 37 -2.960 11.114 1.021 1.00 0.00 O ATOM 538 CB ALA A 37 -3.897 10.276 -1.777 1.00 0.00 C ATOM 0 H ALA A 37 -2.684 12.440 -2.005 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.308 11.746 -1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.507 9.433 -1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.080 10.473 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.843 10.039 -1.629 1.00 0.00 H new ATOM 544 N CYS A 38 -5.199 11.120 1.245 1.00 0.00 N ATOM 545 CA CYS A 38 -5.159 10.857 2.681 1.00 0.00 C ATOM 546 C CYS A 38 -5.028 9.365 2.972 1.00 0.00 C ATOM 547 O CYS A 38 -5.246 8.526 2.098 1.00 0.00 O ATOM 548 CB CYS A 38 -6.413 11.408 3.360 1.00 0.00 C ATOM 549 SG CYS A 38 -6.099 12.838 4.447 1.00 0.00 S ATOM 0 H CYS A 38 -6.138 11.210 0.857 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.280 11.361 3.083 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.131 11.698 2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.875 10.614 3.946 1.00 0.00 H new ATOM 554 N ALA A 39 -4.675 9.048 4.213 1.00 0.00 N ATOM 555 CA ALA A 39 -4.519 7.663 4.637 1.00 0.00 C ATOM 556 C ALA A 39 -5.866 6.963 4.756 1.00 0.00 C ATOM 557 O ALA A 39 -6.826 7.520 5.288 1.00 0.00 O ATOM 558 CB ALA A 39 -3.763 7.596 5.956 1.00 0.00 C ATOM 0 H ALA A 39 -4.491 9.735 4.945 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.941 7.141 3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.654 6.555 6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.777 8.043 5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.316 8.142 6.721 1.00 0.00 H new ATOM 564 N ALA A 40 -5.925 5.730 4.263 1.00 0.00 N ATOM 565 CA ALA A 40 -7.150 4.945 4.320 1.00 0.00 C ATOM 566 C ALA A 40 -7.470 4.542 5.754 1.00 0.00 C ATOM 567 O ALA A 40 -6.578 4.425 6.593 1.00 0.00 O ATOM 568 CB ALA A 40 -7.032 3.715 3.432 1.00 0.00 C ATOM 0 H ALA A 40 -5.139 5.254 3.820 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.970 5.562 3.952 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.955 3.138 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.857 4.025 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.199 3.099 3.772 1.00 0.00 H new ATOM 574 N LYS A 41 -8.752 4.337 6.031 1.00 0.00 N ATOM 575 CA LYS A 41 -9.196 3.956 7.365 1.00 0.00 C ATOM 576 C LYS A 41 -8.615 2.609 7.791 1.00 0.00 C ATOM 577 O LYS A 41 -7.846 2.528 8.749 1.00 0.00 O ATOM 578 CB LYS A 41 -10.726 3.903 7.419 1.00 0.00 C ATOM 579 CG LYS A 41 -11.335 4.892 8.398 1.00 0.00 C ATOM 580 CD LYS A 41 -12.847 4.744 8.474 1.00 0.00 C ATOM 581 CE LYS A 41 -13.557 5.867 7.736 1.00 0.00 C ATOM 582 NZ LYS A 41 -14.725 6.382 8.503 1.00 0.00 N ATOM 0 H LYS A 41 -9.504 4.429 5.347 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.833 4.713 8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.123 4.099 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.037 2.895 7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.903 4.739 9.387 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.083 5.908 8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.141 3.785 8.048 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.161 4.739 9.518 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.856 6.681 7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.891 5.508 6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.183 7.147 7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.406 5.611 8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.403 6.748 9.422 1.00 0.00 H new ATOM 596 N ARG A 42 -9.011 1.549 7.092 1.00 0.00 N ATOM 597 CA ARG A 42 -8.558 0.201 7.418 1.00 0.00 C ATOM 598 C ARG A 42 -7.257 -0.167 6.702 1.00 0.00 C ATOM 599 O ARG A 42 -6.293 -0.593 7.338 1.00 0.00 O ATOM 600 CB ARG A 42 -9.649 -0.817 7.074 1.00 0.00 C ATOM 601 CG ARG A 42 -10.400 -1.340 8.288 1.00 0.00 C ATOM 602 CD ARG A 42 -11.884 -1.499 7.999 1.00 0.00 C ATOM 603 NE ARG A 42 -12.122 -2.277 6.784 1.00 0.00 N ATOM 604 CZ ARG A 42 -13.267 -2.897 6.512 1.00 0.00 C ATOM 605 NH1 ARG A 42 -14.287 -2.827 7.358 1.00 0.00 N ATOM 606 NH2 ARG A 42 -13.392 -3.589 5.387 1.00 0.00 N ATOM 0 H ARG A 42 -9.646 1.598 6.295 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.356 0.179 8.489 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.360 -0.357 6.388 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.197 -1.657 6.547 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.982 -2.300 8.590 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.263 -0.655 9.125 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.368 -1.988 8.844 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.341 -0.515 7.896 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.365 -2.349 6.104 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.196 -2.295 8.224 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.162 -3.305 7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.611 -3.645 4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.269 -4.065 5.176 1.00 0.00 H new ATOM 620 N ASN A 43 -7.243 -0.032 5.379 1.00 0.00 N ATOM 621 CA ASN A 43 -6.069 -0.374 4.593 1.00 0.00 C ATOM 622 C ASN A 43 -5.078 0.792 4.549 1.00 0.00 C ATOM 623 O ASN A 43 -5.212 1.721 3.755 1.00 0.00 O ATOM 624 CB ASN A 43 -6.520 -0.827 3.195 1.00 0.00 C ATOM 625 CG ASN A 43 -5.737 -0.213 2.055 1.00 0.00 C ATOM 626 OD1 ASN A 43 -4.750 -0.774 1.579 1.00 0.00 O ATOM 627 ND2 ASN A 43 -6.191 0.952 1.613 1.00 0.00 N ATOM 0 H ASN A 43 -8.032 0.312 4.832 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.535 -1.201 5.061 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.437 -1.912 3.134 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.574 -0.581 3.069 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.717 1.425 0.843 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.014 1.375 2.043 1.00 0.00 H new ATOM 634 N ASN A 44 -4.084 0.731 5.430 1.00 0.00 N ATOM 635 CA ASN A 44 -3.065 1.768 5.515 1.00 0.00 C ATOM 636 C ASN A 44 -1.791 1.220 6.149 1.00 0.00 C ATOM 637 O ASN A 44 -1.670 1.172 7.373 1.00 0.00 O ATOM 638 CB ASN A 44 -3.585 2.948 6.335 1.00 0.00 C ATOM 639 CG ASN A 44 -4.042 2.531 7.719 1.00 0.00 C ATOM 640 OD1 ASN A 44 -3.335 2.733 8.706 1.00 0.00 O ATOM 641 ND2 ASN A 44 -5.229 1.941 7.797 1.00 0.00 N ATOM 0 H ASN A 44 -3.964 -0.031 6.098 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.834 2.106 4.505 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.800 3.699 6.425 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.415 3.417 5.807 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.588 1.635 8.701 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.782 1.794 6.953 1.00 0.00 H new ATOM 648 N PHE A 45 -0.844 0.802 5.315 1.00 0.00 N ATOM 649 CA PHE A 45 0.410 0.255 5.806 1.00 0.00 C ATOM 650 C PHE A 45 1.537 1.269 5.666 1.00 0.00 C ATOM 651 O PHE A 45 1.753 1.826 4.590 1.00 0.00 O ATOM 652 CB PHE A 45 0.763 -1.016 5.038 1.00 0.00 C ATOM 653 CG PHE A 45 -0.267 -2.101 5.188 1.00 0.00 C ATOM 654 CD1 PHE A 45 -1.393 -2.124 4.379 1.00 0.00 C ATOM 655 CD2 PHE A 45 -0.115 -3.087 6.149 1.00 0.00 C ATOM 656 CE1 PHE A 45 -2.347 -3.115 4.525 1.00 0.00 C ATOM 657 CE2 PHE A 45 -1.066 -4.078 6.301 1.00 0.00 C ATOM 658 CZ PHE A 45 -2.184 -4.092 5.488 1.00 0.00 C ATOM 0 H PHE A 45 -0.923 0.833 4.299 1.00 0.00 H new ATOM 0 HA PHE A 45 0.287 0.018 6.863 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.877 -0.775 3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.727 -1.388 5.386 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.527 -1.360 3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.757 -3.081 6.787 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.218 -3.125 3.887 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.936 -4.841 7.054 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.929 -4.865 5.605 1.00 0.00 H new ATOM 668 N LYS A 46 2.257 1.499 6.757 1.00 0.00 N ATOM 669 CA LYS A 46 3.369 2.439 6.749 1.00 0.00 C ATOM 670 C LYS A 46 4.473 1.970 5.803 1.00 0.00 C ATOM 671 O LYS A 46 5.375 2.734 5.463 1.00 0.00 O ATOM 672 CB LYS A 46 3.925 2.615 8.164 1.00 0.00 C ATOM 673 CG LYS A 46 3.266 3.748 8.936 1.00 0.00 C ATOM 674 CD LYS A 46 3.754 3.802 10.374 1.00 0.00 C ATOM 675 CE LYS A 46 2.881 4.708 11.226 1.00 0.00 C ATOM 676 NZ LYS A 46 3.652 5.343 12.330 1.00 0.00 N ATOM 0 H LYS A 46 2.091 1.048 7.657 1.00 0.00 H new ATOM 0 HA LYS A 46 2.999 3.400 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.794 1.685 8.716 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.997 2.802 8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.478 4.697 8.443 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.184 3.617 8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.757 2.797 10.796 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.783 4.161 10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.440 5.483 10.598 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.057 4.130 11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.021 5.953 12.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.052 4.605 12.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.423 5.916 11.931 1.00 0.00 H new ATOM 690 N SER A 47 4.395 0.709 5.375 1.00 0.00 N ATOM 691 CA SER A 47 5.382 0.150 4.466 1.00 0.00 C ATOM 692 C SER A 47 4.730 -0.760 3.444 1.00 0.00 C ATOM 693 O SER A 47 3.800 -1.503 3.758 1.00 0.00 O ATOM 694 CB SER A 47 6.455 -0.625 5.229 1.00 0.00 C ATOM 695 OG SER A 47 6.056 -0.876 6.565 1.00 0.00 O ATOM 0 H SER A 47 3.656 0.060 5.646 1.00 0.00 H new ATOM 0 HA SER A 47 5.852 0.985 3.946 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.654 -1.570 4.723 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.387 -0.060 5.226 1.00 0.00 H new ATOM 0 HG SER A 47 6.761 -1.375 7.029 1.00 0.00 H new ATOM 701 N ALA A 48 5.236 -0.709 2.224 1.00 0.00 N ATOM 702 CA ALA A 48 4.706 -1.538 1.156 1.00 0.00 C ATOM 703 C ALA A 48 4.882 -3.007 1.492 1.00 0.00 C ATOM 704 O ALA A 48 4.001 -3.824 1.226 1.00 0.00 O ATOM 705 CB ALA A 48 5.368 -1.205 -0.172 1.00 0.00 C ATOM 0 H ALA A 48 6.010 -0.105 1.949 1.00 0.00 H new ATOM 0 HA ALA A 48 3.640 -1.331 1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.953 -1.840 -0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.184 -0.159 -0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.442 -1.377 -0.097 1.00 0.00 H new ATOM 711 N GLU A 49 6.014 -3.336 2.104 1.00 0.00 N ATOM 712 CA GLU A 49 6.276 -4.708 2.498 1.00 0.00 C ATOM 713 C GLU A 49 5.177 -5.158 3.446 1.00 0.00 C ATOM 714 O GLU A 49 4.695 -6.288 3.373 1.00 0.00 O ATOM 715 CB GLU A 49 7.645 -4.829 3.172 1.00 0.00 C ATOM 716 CG GLU A 49 7.984 -6.246 3.606 1.00 0.00 C ATOM 717 CD GLU A 49 9.477 -6.512 3.611 1.00 0.00 C ATOM 718 OE1 GLU A 49 10.056 -6.672 2.516 1.00 0.00 O ATOM 719 OE2 GLU A 49 10.067 -6.561 4.711 1.00 0.00 O ATOM 0 H GLU A 49 6.756 -2.676 2.335 1.00 0.00 H new ATOM 0 HA GLU A 49 6.287 -5.344 1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.413 -4.475 2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.671 -4.174 4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.584 -6.422 4.605 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.495 -6.954 2.937 1.00 0.00 H new ATOM 726 N ASP A 50 4.760 -4.239 4.314 1.00 0.00 N ATOM 727 CA ASP A 50 3.691 -4.515 5.259 1.00 0.00 C ATOM 728 C ASP A 50 2.375 -4.740 4.516 1.00 0.00 C ATOM 729 O ASP A 50 1.630 -5.673 4.825 1.00 0.00 O ATOM 730 CB ASP A 50 3.549 -3.368 6.259 1.00 0.00 C ATOM 731 CG ASP A 50 3.514 -3.854 7.695 1.00 0.00 C ATOM 732 OD1 ASP A 50 2.857 -4.884 7.957 1.00 0.00 O ATOM 733 OD2 ASP A 50 4.141 -3.206 8.558 1.00 0.00 O ATOM 0 H ASP A 50 5.149 -3.298 4.379 1.00 0.00 H new ATOM 0 HA ASP A 50 3.941 -5.422 5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.381 -2.675 6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.636 -2.813 6.044 1.00 0.00 H new ATOM 738 N CYS A 51 2.093 -3.887 3.523 1.00 0.00 N ATOM 739 CA CYS A 51 0.866 -4.017 2.743 1.00 0.00 C ATOM 740 C CYS A 51 0.848 -5.362 2.023 1.00 0.00 C ATOM 741 O CYS A 51 -0.083 -6.151 2.180 1.00 0.00 O ATOM 742 CB CYS A 51 0.766 -2.870 1.726 1.00 0.00 C ATOM 743 SG CYS A 51 -0.393 -3.171 0.344 1.00 0.00 S ATOM 0 H CYS A 51 2.693 -3.110 3.247 1.00 0.00 H new ATOM 0 HA CYS A 51 0.010 -3.966 3.415 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.458 -1.965 2.249 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.758 -2.679 1.315 1.00 0.00 H new ATOM 748 N LEU A 52 1.893 -5.621 1.245 1.00 0.00 N ATOM 749 CA LEU A 52 2.006 -6.871 0.503 1.00 0.00 C ATOM 750 C LEU A 52 1.843 -8.076 1.421 1.00 0.00 C ATOM 751 O LEU A 52 1.154 -9.035 1.084 1.00 0.00 O ATOM 752 CB LEU A 52 3.355 -6.941 -0.215 1.00 0.00 C ATOM 753 CG LEU A 52 3.527 -5.951 -1.368 1.00 0.00 C ATOM 754 CD1 LEU A 52 4.934 -6.034 -1.934 1.00 0.00 C ATOM 755 CD2 LEU A 52 2.496 -6.214 -2.456 1.00 0.00 C ATOM 0 H LEU A 52 2.675 -4.980 1.112 1.00 0.00 H new ATOM 0 HA LEU A 52 1.204 -6.895 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.147 -6.767 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.492 -7.951 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 52 3.370 -4.943 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.039 -5.323 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.655 -5.796 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.119 -7.043 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.634 -5.500 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.621 -7.227 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.494 -6.104 -2.042 1.00 0.00 H new ATOM 767 N ARG A 53 2.467 -8.024 2.591 1.00 0.00 N ATOM 768 CA ARG A 53 2.370 -9.126 3.543 1.00 0.00 C ATOM 769 C ARG A 53 0.914 -9.394 3.903 1.00 0.00 C ATOM 770 O ARG A 53 0.457 -10.537 3.877 1.00 0.00 O ATOM 771 CB ARG A 53 3.171 -8.815 4.809 1.00 0.00 C ATOM 772 CG ARG A 53 3.528 -10.049 5.623 1.00 0.00 C ATOM 773 CD ARG A 53 2.431 -10.400 6.615 1.00 0.00 C ATOM 774 NE ARG A 53 2.366 -11.838 6.874 1.00 0.00 N ATOM 775 CZ ARG A 53 3.257 -12.502 7.607 1.00 0.00 C ATOM 776 NH1 ARG A 53 4.278 -11.862 8.163 1.00 0.00 N ATOM 777 NH2 ARG A 53 3.124 -13.808 7.788 1.00 0.00 N ATOM 0 H ARG A 53 3.040 -7.240 2.903 1.00 0.00 H new ATOM 0 HA ARG A 53 2.787 -10.017 3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.088 -8.296 4.530 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.596 -8.132 5.434 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.697 -10.892 4.953 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.462 -9.875 6.158 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.606 -9.871 7.552 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.471 -10.057 6.230 1.00 0.00 H new ATOM 0 HE ARG A 53 1.592 -12.364 6.469 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.383 -10.856 8.030 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.958 -12.376 8.724 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.339 -14.304 7.366 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.807 -14.317 8.350 1.00 0.00 H new ATOM 791 N THR A 54 0.189 -8.333 4.238 1.00 0.00 N ATOM 792 CA THR A 54 -1.218 -8.453 4.606 1.00 0.00 C ATOM 793 C THR A 54 -2.120 -8.567 3.376 1.00 0.00 C ATOM 794 O THR A 54 -2.816 -9.566 3.194 1.00 0.00 O ATOM 795 CB THR A 54 -1.641 -7.248 5.446 1.00 0.00 C ATOM 796 OG1 THR A 54 -0.677 -6.973 6.448 1.00 0.00 O ATOM 797 CG2 THR A 54 -2.977 -7.435 6.134 1.00 0.00 C ATOM 0 H THR A 54 0.552 -7.380 4.263 1.00 0.00 H new ATOM 0 HA THR A 54 -1.330 -9.368 5.188 1.00 0.00 H new ATOM 0 HB THR A 54 -1.727 -6.421 4.741 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.337 -6.061 6.333 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.216 -6.543 6.713 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.752 -7.600 5.385 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.926 -8.297 6.800 1.00 0.00 H new ATOM 805 N CYS A 55 -2.125 -7.520 2.556 1.00 0.00 N ATOM 806 CA CYS A 55 -2.959 -7.478 1.358 1.00 0.00 C ATOM 807 C CYS A 55 -2.449 -8.410 0.259 1.00 0.00 C ATOM 808 O CYS A 55 -3.234 -9.117 -0.374 1.00 0.00 O ATOM 809 CB CYS A 55 -3.037 -6.045 0.822 1.00 0.00 C ATOM 810 SG CYS A 55 -4.447 -5.086 1.464 1.00 0.00 S ATOM 0 H CYS A 55 -1.558 -6.685 2.700 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.952 -7.823 1.647 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.113 -5.524 1.073 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.099 -6.078 -0.266 1.00 0.00 H new ATOM 815 N GLY A 56 -1.142 -8.398 0.019 1.00 0.00 N ATOM 816 CA GLY A 56 -0.571 -9.242 -1.019 1.00 0.00 C ATOM 817 C GLY A 56 -0.914 -10.709 -0.835 1.00 0.00 C ATOM 818 O GLY A 56 -1.631 -11.291 -1.648 1.00 0.00 O ATOM 0 H GLY A 56 -0.468 -7.821 0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.931 -8.908 -1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.513 -9.124 -1.022 1.00 0.00 H new