USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=10 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 Set 1.1: A 24 ASN : amide:sc= -3.68! C(o=-3.8!,f=-16!) USER MOD Set 1.2: A 31 GLN : amide:sc= -0.0883 K(o=-3.8,f=-4.6!) USER MOD Single : A 1 ARG N :NH3+ 134:sc= 0.0162 (180deg=-0.0156) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.13 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0615 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 9:sc= 0.108 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -145:sc= -0.313 (180deg=-2.36!) USER MOD Single : A 43 ASN : amide:sc= -1.89 K(o=-1.9,f=-3.5!) USER MOD Single : A 44 ASN : amide:sc= -1.3 K(o=-1.3,f=-5.8!) USER MOD Single : A 46 LYS NZ :NH3+ -147:sc= -0.491 (180deg=-1.6!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 79:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.317 -12.981 -0.180 1.00 0.00 N ATOM 2 CA ARG A 1 -7.002 -11.545 0.033 1.00 0.00 C ATOM 3 C ARG A 1 -8.014 -10.889 0.972 1.00 0.00 C ATOM 4 O ARG A 1 -9.204 -11.204 0.927 1.00 0.00 O ATOM 5 CB ARG A 1 -7.011 -10.844 -1.327 1.00 0.00 C ATOM 6 CG ARG A 1 -8.375 -10.834 -1.995 1.00 0.00 C ATOM 7 CD ARG A 1 -8.441 -9.801 -3.107 1.00 0.00 C ATOM 8 NE ARG A 1 -7.614 -10.176 -4.252 1.00 0.00 N ATOM 9 CZ ARG A 1 -7.998 -11.032 -5.196 1.00 0.00 C ATOM 10 NH1 ARG A 1 -9.194 -11.607 -5.137 1.00 0.00 N ATOM 11 NH2 ARG A 1 -7.183 -11.313 -6.203 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.253 -13.204 -1.194 1.00 0.00 H new ATOM 0 H2 ARG A 1 -6.638 -13.567 0.346 1.00 0.00 H new ATOM 0 H3 ARG A 1 -8.280 -13.179 0.158 1.00 0.00 H new ATOM 0 HA ARG A 1 -6.021 -11.457 0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -6.670 -9.817 -1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.296 -11.337 -1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -8.590 -11.822 -2.401 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -9.144 -10.621 -1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -9.475 -9.682 -3.430 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -8.113 -8.835 -2.724 1.00 0.00 H new ATOM 0 HE ARG A 1 -6.688 -9.757 -4.332 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -9.825 -11.393 -4.365 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -9.481 -12.262 -5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -6.264 -10.874 -6.253 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -7.475 -11.969 -6.928 1.00 0.00 H new ATOM 27 N PRO A 2 -7.557 -9.970 1.847 1.00 0.00 N ATOM 28 CA PRO A 2 -8.437 -9.283 2.797 1.00 0.00 C ATOM 29 C PRO A 2 -9.417 -8.339 2.097 1.00 0.00 C ATOM 30 O PRO A 2 -9.038 -7.565 1.220 1.00 0.00 O ATOM 31 CB PRO A 2 -7.475 -8.501 3.705 1.00 0.00 C ATOM 32 CG PRO A 2 -6.110 -9.030 3.400 1.00 0.00 C ATOM 33 CD PRO A 2 -6.159 -9.535 1.989 1.00 0.00 C ATOM 0 HA PRO A 2 -9.063 -9.985 3.347 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.533 -7.431 3.507 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.725 -8.645 4.756 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.358 -8.249 3.507 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.840 -9.830 4.090 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.903 -8.756 1.271 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.461 -10.357 1.829 1.00 0.00 H new ATOM 41 N ASP A 3 -10.685 -8.434 2.481 1.00 0.00 N ATOM 42 CA ASP A 3 -11.747 -7.618 1.889 1.00 0.00 C ATOM 43 C ASP A 3 -11.380 -6.138 1.804 1.00 0.00 C ATOM 44 O ASP A 3 -11.409 -5.547 0.726 1.00 0.00 O ATOM 45 CB ASP A 3 -13.036 -7.774 2.702 1.00 0.00 C ATOM 46 CG ASP A 3 -14.068 -8.629 1.993 1.00 0.00 C ATOM 47 OD1 ASP A 3 -14.881 -8.067 1.229 1.00 0.00 O ATOM 48 OD2 ASP A 3 -14.063 -9.861 2.202 1.00 0.00 O ATOM 0 H ASP A 3 -11.008 -9.074 3.207 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.891 -7.977 0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.801 -8.220 3.668 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.459 -6.789 2.900 1.00 0.00 H new ATOM 53 N PHE A 4 -11.076 -5.534 2.943 1.00 0.00 N ATOM 54 CA PHE A 4 -10.750 -4.113 2.989 1.00 0.00 C ATOM 55 C PHE A 4 -9.673 -3.727 1.978 1.00 0.00 C ATOM 56 O PHE A 4 -9.628 -2.587 1.524 1.00 0.00 O ATOM 57 CB PHE A 4 -10.298 -3.713 4.387 1.00 0.00 C ATOM 58 CG PHE A 4 -9.299 -4.652 4.989 1.00 0.00 C ATOM 59 CD1 PHE A 4 -7.967 -4.590 4.617 1.00 0.00 C ATOM 60 CD2 PHE A 4 -9.686 -5.589 5.931 1.00 0.00 C ATOM 61 CE1 PHE A 4 -7.040 -5.449 5.170 1.00 0.00 C ATOM 62 CE2 PHE A 4 -8.762 -6.452 6.488 1.00 0.00 C ATOM 63 CZ PHE A 4 -7.438 -6.380 6.106 1.00 0.00 C ATOM 0 H PHE A 4 -11.048 -6.004 3.848 1.00 0.00 H new ATOM 0 HA PHE A 4 -11.662 -3.576 2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.865 -2.713 4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -11.170 -3.657 5.039 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.650 -3.861 3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.721 -5.646 6.234 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.004 -5.392 4.870 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.075 -7.181 7.221 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.713 -7.053 6.540 1.00 0.00 H new ATOM 73 N CYS A 5 -8.817 -4.674 1.611 1.00 0.00 N ATOM 74 CA CYS A 5 -7.758 -4.398 0.643 1.00 0.00 C ATOM 75 C CYS A 5 -8.355 -3.952 -0.684 1.00 0.00 C ATOM 76 O CYS A 5 -7.687 -3.317 -1.500 1.00 0.00 O ATOM 77 CB CYS A 5 -6.871 -5.621 0.432 1.00 0.00 C ATOM 78 SG CYS A 5 -5.954 -6.135 1.917 1.00 0.00 S ATOM 0 H CYS A 5 -8.833 -5.631 1.964 1.00 0.00 H new ATOM 0 HA CYS A 5 -7.141 -3.594 1.044 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -7.490 -6.452 0.094 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.160 -5.408 -0.366 1.00 0.00 H new ATOM 83 N LEU A 6 -9.626 -4.275 -0.880 1.00 0.00 N ATOM 84 CA LEU A 6 -10.335 -3.905 -2.102 1.00 0.00 C ATOM 85 C LEU A 6 -10.831 -2.461 -2.027 1.00 0.00 C ATOM 86 O LEU A 6 -11.342 -1.919 -3.007 1.00 0.00 O ATOM 87 CB LEU A 6 -11.522 -4.846 -2.328 1.00 0.00 C ATOM 88 CG LEU A 6 -11.227 -6.335 -2.124 1.00 0.00 C ATOM 89 CD1 LEU A 6 -12.516 -7.143 -2.175 1.00 0.00 C ATOM 90 CD2 LEU A 6 -10.240 -6.829 -3.173 1.00 0.00 C ATOM 0 H LEU A 6 -10.191 -4.794 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.640 -3.992 -2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.327 -4.557 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -11.890 -4.702 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.777 -6.469 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -12.289 -8.199 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -13.189 -6.804 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -12.993 -7.006 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.041 -7.889 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -10.663 -6.684 -4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.309 -6.268 -3.089 1.00 0.00 H new ATOM 102 N GLU A 7 -10.680 -1.845 -0.856 1.00 0.00 N ATOM 103 CA GLU A 7 -11.110 -0.466 -0.655 1.00 0.00 C ATOM 104 C GLU A 7 -10.203 0.510 -1.399 1.00 0.00 C ATOM 105 O GLU A 7 -9.005 0.581 -1.126 1.00 0.00 O ATOM 106 CB GLU A 7 -11.118 -0.115 0.835 1.00 0.00 C ATOM 107 CG GLU A 7 -12.021 -1.007 1.668 1.00 0.00 C ATOM 108 CD GLU A 7 -13.478 -0.592 1.592 1.00 0.00 C ATOM 109 OE1 GLU A 7 -13.770 0.597 1.839 1.00 0.00 O ATOM 110 OE2 GLU A 7 -14.326 -1.455 1.284 1.00 0.00 O ATOM 0 H GLU A 7 -10.263 -2.280 -0.033 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.121 -0.378 -1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.101 -0.182 1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.436 0.921 0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.922 -2.038 1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.693 -0.981 2.707 1.00 0.00 H new ATOM 117 N PRO A 8 -10.761 1.282 -2.352 1.00 0.00 N ATOM 118 CA PRO A 8 -9.990 2.259 -3.125 1.00 0.00 C ATOM 119 C PRO A 8 -9.571 3.460 -2.279 1.00 0.00 C ATOM 120 O PRO A 8 -10.263 3.832 -1.330 1.00 0.00 O ATOM 121 CB PRO A 8 -10.955 2.703 -4.237 1.00 0.00 C ATOM 122 CG PRO A 8 -12.117 1.767 -4.169 1.00 0.00 C ATOM 123 CD PRO A 8 -12.175 1.274 -2.754 1.00 0.00 C ATOM 0 HA PRO A 8 -9.063 1.829 -3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -11.275 3.734 -4.088 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.473 2.657 -5.214 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.042 2.274 -4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.990 0.938 -4.865 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.779 1.925 -2.123 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.609 0.276 -2.690 1.00 0.00 H new ATOM 131 N PRO A 9 -8.428 4.090 -2.610 1.00 0.00 N ATOM 132 CA PRO A 9 -7.926 5.251 -1.880 1.00 0.00 C ATOM 133 C PRO A 9 -8.631 6.537 -2.301 1.00 0.00 C ATOM 134 O PRO A 9 -9.552 6.508 -3.116 1.00 0.00 O ATOM 135 CB PRO A 9 -6.435 5.310 -2.255 1.00 0.00 C ATOM 136 CG PRO A 9 -6.192 4.171 -3.200 1.00 0.00 C ATOM 137 CD PRO A 9 -7.532 3.734 -3.716 1.00 0.00 C ATOM 0 HA PRO A 9 -8.098 5.160 -0.807 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.190 6.263 -2.724 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.807 5.220 -1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.546 4.482 -4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.688 3.349 -2.692 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.800 4.250 -4.638 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.556 2.666 -3.930 1.00 0.00 H new ATOM 145 N TYR A 10 -8.199 7.660 -1.736 1.00 0.00 N ATOM 146 CA TYR A 10 -8.795 8.952 -2.056 1.00 0.00 C ATOM 147 C TYR A 10 -7.803 10.093 -1.832 1.00 0.00 C ATOM 148 O TYR A 10 -6.805 9.935 -1.127 1.00 0.00 O ATOM 149 CB TYR A 10 -10.046 9.167 -1.208 1.00 0.00 C ATOM 150 CG TYR A 10 -9.764 9.433 0.255 1.00 0.00 C ATOM 151 CD1 TYR A 10 -9.029 8.533 1.017 1.00 0.00 C ATOM 152 CD2 TYR A 10 -10.236 10.583 0.874 1.00 0.00 C ATOM 153 CE1 TYR A 10 -8.773 8.771 2.354 1.00 0.00 C ATOM 154 CE2 TYR A 10 -9.983 10.830 2.211 1.00 0.00 C ATOM 155 CZ TYR A 10 -9.252 9.921 2.945 1.00 0.00 C ATOM 156 OH TYR A 10 -8.999 10.163 4.276 1.00 0.00 O ATOM 0 H TYR A 10 -7.440 7.701 -1.056 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.068 8.950 -3.111 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.609 10.006 -1.617 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -10.683 8.286 -1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.651 7.632 0.556 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.810 11.296 0.302 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.201 8.061 2.932 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.356 11.730 2.677 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.405 11.016 4.536 1.00 0.00 H new ATOM 166 N ALA A 11 -8.088 11.243 -2.437 1.00 0.00 N ATOM 167 CA ALA A 11 -7.227 12.412 -2.306 1.00 0.00 C ATOM 168 C ALA A 11 -8.046 13.670 -2.037 1.00 0.00 C ATOM 169 O ALA A 11 -8.738 14.174 -2.922 1.00 0.00 O ATOM 170 CB ALA A 11 -6.381 12.590 -3.557 1.00 0.00 C ATOM 0 H ALA A 11 -8.910 11.389 -3.023 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.566 12.250 -1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.744 13.467 -3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.760 11.707 -3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.032 12.724 -4.421 1.00 0.00 H new ATOM 176 N GLY A 12 -7.963 14.172 -0.811 1.00 0.00 N ATOM 177 CA GLY A 12 -8.701 15.367 -0.444 1.00 0.00 C ATOM 178 C GLY A 12 -8.609 15.672 1.038 1.00 0.00 C ATOM 179 O GLY A 12 -8.590 14.761 1.867 1.00 0.00 O ATOM 0 H GLY A 12 -7.397 13.772 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.318 16.215 -1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.748 15.244 -0.722 1.00 0.00 H new ATOM 183 N ALA A 13 -8.555 16.957 1.374 1.00 0.00 N ATOM 184 CA ALA A 13 -8.466 17.387 2.765 1.00 0.00 C ATOM 185 C ALA A 13 -7.100 17.064 3.359 1.00 0.00 C ATOM 186 O ALA A 13 -6.983 16.742 4.541 1.00 0.00 O ATOM 187 CB ALA A 13 -9.574 16.748 3.592 1.00 0.00 C ATOM 0 H ALA A 13 -8.571 17.721 0.699 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.592 18.469 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.493 17.080 4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.544 17.044 3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.480 15.663 3.550 1.00 0.00 H new ATOM 193 N CYS A 14 -6.069 17.163 2.528 1.00 0.00 N ATOM 194 CA CYS A 14 -4.698 16.897 2.955 1.00 0.00 C ATOM 195 C CYS A 14 -3.717 17.503 1.959 1.00 0.00 C ATOM 196 O CYS A 14 -4.104 17.882 0.854 1.00 0.00 O ATOM 197 CB CYS A 14 -4.418 15.390 3.100 1.00 0.00 C ATOM 198 SG CYS A 14 -5.840 14.285 2.791 1.00 0.00 S ATOM 0 H CYS A 14 -6.157 17.428 1.547 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.568 17.356 3.935 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.616 15.121 2.412 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.049 15.203 4.109 1.00 0.00 H new ATOM 257 N ALA A 19 4.222 8.905 2.986 1.00 0.00 N ATOM 258 CA ALA A 19 4.847 8.005 3.951 1.00 0.00 C ATOM 259 C ALA A 19 3.953 6.804 4.246 1.00 0.00 C ATOM 260 O ALA A 19 4.096 6.154 5.283 1.00 0.00 O ATOM 261 CB ALA A 19 5.168 8.749 5.237 1.00 0.00 C ATOM 0 HA ALA A 19 5.775 7.636 3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.633 8.065 5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.853 9.569 5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.249 9.147 5.666 1.00 0.00 H new ATOM 267 N ARG A 20 3.036 6.511 3.328 1.00 0.00 N ATOM 268 CA ARG A 20 2.123 5.388 3.487 1.00 0.00 C ATOM 269 C ARG A 20 1.806 4.757 2.132 1.00 0.00 C ATOM 270 O ARG A 20 2.123 5.322 1.083 1.00 0.00 O ATOM 271 CB ARG A 20 0.835 5.848 4.177 1.00 0.00 C ATOM 272 CG ARG A 20 1.064 6.424 5.563 1.00 0.00 C ATOM 273 CD ARG A 20 -0.236 6.893 6.191 1.00 0.00 C ATOM 274 NE ARG A 20 -0.427 6.322 7.516 1.00 0.00 N ATOM 275 CZ ARG A 20 -1.112 6.917 8.492 1.00 0.00 C ATOM 276 NH1 ARG A 20 -1.695 8.092 8.285 1.00 0.00 N ATOM 277 NH2 ARG A 20 -1.217 6.336 9.679 1.00 0.00 N ATOM 0 H ARG A 20 2.907 7.039 2.465 1.00 0.00 H new ATOM 0 HA ARG A 20 2.605 4.635 4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.348 6.599 3.556 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.150 5.003 4.252 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.526 5.670 6.200 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.762 7.259 5.501 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.236 7.981 6.259 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.072 6.614 5.550 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.011 5.411 7.709 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.620 8.545 7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.218 8.541 9.037 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.773 5.433 9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.741 6.792 10.425 1.00 0.00 H new ATOM 291 N TYR A 21 1.188 3.583 2.155 1.00 0.00 N ATOM 292 CA TYR A 21 0.838 2.890 0.921 1.00 0.00 C ATOM 293 C TYR A 21 -0.568 2.298 1.002 1.00 0.00 C ATOM 294 O TYR A 21 -1.205 2.323 2.055 1.00 0.00 O ATOM 295 CB TYR A 21 1.855 1.787 0.628 1.00 0.00 C ATOM 296 CG TYR A 21 3.280 2.286 0.503 1.00 0.00 C ATOM 297 CD1 TYR A 21 4.029 2.602 1.630 1.00 0.00 C ATOM 298 CD2 TYR A 21 3.880 2.428 -0.742 1.00 0.00 C ATOM 299 CE1 TYR A 21 5.334 3.046 1.517 1.00 0.00 C ATOM 300 CE2 TYR A 21 5.182 2.870 -0.862 1.00 0.00 C ATOM 301 CZ TYR A 21 5.905 3.177 0.269 1.00 0.00 C ATOM 302 OH TYR A 21 7.202 3.617 0.150 1.00 0.00 O ATOM 0 H TYR A 21 0.920 3.093 3.008 1.00 0.00 H new ATOM 0 HA TYR A 21 0.855 3.617 0.109 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.809 1.043 1.423 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.574 1.283 -0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.585 2.499 2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.317 2.188 -1.632 1.00 0.00 H new ATOM 0 HE1 TYR A 21 5.903 3.289 2.402 1.00 0.00 H new ATOM 0 HE2 TYR A 21 5.632 2.975 -1.838 1.00 0.00 H new ATOM 0 HH TYR A 21 7.450 3.652 -0.797 1.00 0.00 H new ATOM 312 N PHE A 22 -1.042 1.766 -0.121 1.00 0.00 N ATOM 313 CA PHE A 22 -2.370 1.154 -0.190 1.00 0.00 C ATOM 314 C PHE A 22 -2.372 0.000 -1.179 1.00 0.00 C ATOM 315 O PHE A 22 -1.565 -0.034 -2.099 1.00 0.00 O ATOM 316 CB PHE A 22 -3.422 2.178 -0.607 1.00 0.00 C ATOM 317 CG PHE A 22 -3.049 2.967 -1.830 1.00 0.00 C ATOM 318 CD1 PHE A 22 -3.265 2.446 -3.093 1.00 0.00 C ATOM 319 CD2 PHE A 22 -2.484 4.226 -1.718 1.00 0.00 C ATOM 320 CE1 PHE A 22 -2.925 3.163 -4.221 1.00 0.00 C ATOM 321 CE2 PHE A 22 -2.144 4.946 -2.843 1.00 0.00 C ATOM 322 CZ PHE A 22 -2.363 4.415 -4.096 1.00 0.00 C ATOM 0 H PHE A 22 -0.525 1.745 -1.000 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.616 0.780 0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.364 1.662 -0.792 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.593 2.867 0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.705 1.465 -3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.308 4.648 -0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.099 2.744 -5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.705 5.928 -2.743 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.095 4.979 -4.977 1.00 0.00 H new ATOM 332 N TYR A 23 -3.287 -0.941 -0.994 1.00 0.00 N ATOM 333 CA TYR A 23 -3.375 -2.094 -1.895 1.00 0.00 C ATOM 334 C TYR A 23 -4.247 -1.771 -3.101 1.00 0.00 C ATOM 335 O TYR A 23 -5.284 -1.121 -2.975 1.00 0.00 O ATOM 336 CB TYR A 23 -3.918 -3.328 -1.173 1.00 0.00 C ATOM 337 CG TYR A 23 -3.990 -4.552 -2.063 1.00 0.00 C ATOM 338 CD1 TYR A 23 -2.839 -5.255 -2.396 1.00 0.00 C ATOM 339 CD2 TYR A 23 -5.201 -4.995 -2.577 1.00 0.00 C ATOM 340 CE1 TYR A 23 -2.896 -6.365 -3.214 1.00 0.00 C ATOM 341 CE2 TYR A 23 -5.266 -6.105 -3.397 1.00 0.00 C ATOM 342 CZ TYR A 23 -4.110 -6.787 -3.713 1.00 0.00 C ATOM 343 OH TYR A 23 -4.169 -7.893 -4.533 1.00 0.00 O ATOM 0 H TYR A 23 -3.974 -0.935 -0.240 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.365 -2.317 -2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.284 -3.547 -0.314 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.913 -3.107 -0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.885 -4.928 -2.009 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.108 -4.463 -2.332 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.992 -6.902 -3.463 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.217 -6.437 -3.788 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.099 -8.056 -4.796 1.00 0.00 H new ATOM 353 N ASN A 24 -3.824 -2.239 -4.266 1.00 0.00 N ATOM 354 CA ASN A 24 -4.562 -2.011 -5.500 1.00 0.00 C ATOM 355 C ASN A 24 -5.072 -3.328 -6.070 1.00 0.00 C ATOM 356 O ASN A 24 -4.388 -3.975 -6.858 1.00 0.00 O ATOM 357 CB ASN A 24 -3.666 -1.305 -6.522 1.00 0.00 C ATOM 358 CG ASN A 24 -4.387 -1.007 -7.818 1.00 0.00 C ATOM 359 OD1 ASN A 24 -5.261 -1.760 -8.246 1.00 0.00 O ATOM 360 ND2 ASN A 24 -4.017 0.096 -8.451 1.00 0.00 N ATOM 0 H ASN A 24 -2.969 -2.782 -4.383 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.420 -1.376 -5.280 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.296 -0.374 -6.094 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.796 -1.928 -6.729 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.462 0.352 -9.332 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.287 0.690 -8.057 1.00 0.00 H new ATOM 367 N ALA A 25 -6.279 -3.719 -5.673 1.00 0.00 N ATOM 368 CA ALA A 25 -6.874 -4.963 -6.152 1.00 0.00 C ATOM 369 C ALA A 25 -6.872 -5.022 -7.676 1.00 0.00 C ATOM 370 O ALA A 25 -6.791 -6.098 -8.267 1.00 0.00 O ATOM 371 CB ALA A 25 -8.290 -5.109 -5.617 1.00 0.00 C ATOM 0 H ALA A 25 -6.863 -3.194 -5.022 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.270 -5.792 -5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.722 -6.041 -5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.268 -5.121 -4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.896 -4.270 -5.958 1.00 0.00 H new ATOM 377 N LYS A 26 -6.949 -3.853 -8.304 1.00 0.00 N ATOM 378 CA LYS A 26 -6.952 -3.762 -9.761 1.00 0.00 C ATOM 379 C LYS A 26 -5.540 -3.903 -10.334 1.00 0.00 C ATOM 380 O LYS A 26 -5.356 -3.878 -11.550 1.00 0.00 O ATOM 381 CB LYS A 26 -7.558 -2.429 -10.203 1.00 0.00 C ATOM 382 CG LYS A 26 -8.043 -2.427 -11.643 1.00 0.00 C ATOM 383 CD LYS A 26 -9.214 -1.477 -11.835 1.00 0.00 C ATOM 384 CE LYS A 26 -10.050 -1.860 -13.046 1.00 0.00 C ATOM 385 NZ LYS A 26 -11.507 -1.685 -12.795 1.00 0.00 N ATOM 0 H LYS A 26 -7.010 -2.954 -7.826 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.557 -4.583 -10.144 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.393 -2.184 -9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.814 -1.642 -10.078 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.226 -2.137 -12.303 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.341 -3.436 -11.929 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.840 -1.484 -10.943 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.842 -0.459 -11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.753 -1.250 -13.899 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.850 -2.898 -13.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.041 -1.957 -13.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.797 -2.286 -11.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.703 -0.689 -12.567 1.00 0.00 H new ATOM 399 N ALA A 27 -4.542 -4.040 -9.460 1.00 0.00 N ATOM 400 CA ALA A 27 -3.156 -4.169 -9.907 1.00 0.00 C ATOM 401 C ALA A 27 -2.385 -5.238 -9.126 1.00 0.00 C ATOM 402 O ALA A 27 -1.218 -5.499 -9.412 1.00 0.00 O ATOM 403 CB ALA A 27 -2.445 -2.830 -9.793 1.00 0.00 C ATOM 0 H ALA A 27 -4.666 -4.064 -8.448 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.183 -4.486 -10.949 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.413 -2.936 -10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.954 -2.093 -10.414 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.457 -2.499 -8.755 1.00 0.00 H new ATOM 409 N GLY A 28 -3.039 -5.864 -8.149 1.00 0.00 N ATOM 410 CA GLY A 28 -2.400 -6.900 -7.368 1.00 0.00 C ATOM 411 C GLY A 28 -1.275 -6.410 -6.468 1.00 0.00 C ATOM 412 O GLY A 28 -0.763 -7.170 -5.647 1.00 0.00 O ATOM 0 H GLY A 28 -4.005 -5.667 -7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.154 -7.390 -6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.003 -7.655 -8.046 1.00 0.00 H new ATOM 416 N LEU A 29 -0.881 -5.150 -6.615 1.00 0.00 N ATOM 417 CA LEU A 29 0.195 -4.591 -5.803 1.00 0.00 C ATOM 418 C LEU A 29 -0.253 -3.318 -5.092 1.00 0.00 C ATOM 419 O LEU A 29 -1.375 -2.848 -5.284 1.00 0.00 O ATOM 420 CB LEU A 29 1.419 -4.299 -6.675 1.00 0.00 C ATOM 421 CG LEU A 29 2.549 -5.330 -6.572 1.00 0.00 C ATOM 422 CD1 LEU A 29 2.829 -5.958 -7.930 1.00 0.00 C ATOM 423 CD2 LEU A 29 3.810 -4.689 -6.008 1.00 0.00 C ATOM 0 H LEU A 29 -1.288 -4.498 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 29 0.461 -5.328 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.099 -4.236 -7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.815 -3.320 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 29 2.231 -6.118 -5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.634 -6.687 -7.835 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.930 -6.456 -8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.124 -5.182 -8.636 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.600 -5.437 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.130 -3.879 -6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.603 -4.292 -5.014 1.00 0.00 H new ATOM 435 N CYS A 30 0.634 -2.761 -4.272 1.00 0.00 N ATOM 436 CA CYS A 30 0.325 -1.541 -3.540 1.00 0.00 C ATOM 437 C CYS A 30 0.875 -0.316 -4.251 1.00 0.00 C ATOM 438 O CYS A 30 1.627 -0.422 -5.221 1.00 0.00 O ATOM 439 CB CYS A 30 0.883 -1.588 -2.117 1.00 0.00 C ATOM 440 SG CYS A 30 0.824 -3.230 -1.326 1.00 0.00 S ATOM 0 H CYS A 30 1.567 -3.134 -4.100 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.762 -1.469 -3.494 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.918 -1.247 -2.136 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.326 -0.883 -1.500 1.00 0.00 H new ATOM 445 N GLN A 31 0.489 0.848 -3.750 1.00 0.00 N ATOM 446 CA GLN A 31 0.928 2.117 -4.315 1.00 0.00 C ATOM 447 C GLN A 31 1.078 3.170 -3.219 1.00 0.00 C ATOM 448 O GLN A 31 0.283 3.218 -2.280 1.00 0.00 O ATOM 449 CB GLN A 31 -0.066 2.599 -5.378 1.00 0.00 C ATOM 450 CG GLN A 31 0.402 2.365 -6.806 1.00 0.00 C ATOM 451 CD GLN A 31 -0.412 1.303 -7.524 1.00 0.00 C ATOM 452 OE1 GLN A 31 -0.413 0.133 -7.136 1.00 0.00 O ATOM 453 NE2 GLN A 31 -1.114 1.707 -8.577 1.00 0.00 N ATOM 0 H GLN A 31 -0.133 0.941 -2.947 1.00 0.00 H new ATOM 0 HA GLN A 31 1.900 1.965 -4.785 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.018 2.090 -5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.249 3.664 -5.235 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.341 3.301 -7.362 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.451 2.068 -6.796 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.085 2.685 -8.864 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.682 1.039 -9.098 1.00 0.00 H new ATOM 462 N THR A 32 2.096 4.015 -3.344 1.00 0.00 N ATOM 463 CA THR A 32 2.327 5.071 -2.366 1.00 0.00 C ATOM 464 C THR A 32 1.324 6.207 -2.554 1.00 0.00 C ATOM 465 O THR A 32 1.033 6.616 -3.678 1.00 0.00 O ATOM 466 CB THR A 32 3.767 5.593 -2.462 1.00 0.00 C ATOM 467 OG1 THR A 32 4.187 6.131 -1.222 1.00 0.00 O ATOM 468 CG2 THR A 32 3.963 6.667 -3.515 1.00 0.00 C ATOM 0 H THR A 32 2.771 3.990 -4.109 1.00 0.00 H new ATOM 0 HA THR A 32 2.184 4.653 -1.370 1.00 0.00 H new ATOM 0 HB THR A 32 4.362 4.725 -2.746 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.523 5.920 -0.532 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.006 6.984 -3.521 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.699 6.269 -4.495 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.325 7.521 -3.287 1.00 0.00 H new ATOM 476 N PHE A 33 0.807 6.718 -1.441 1.00 0.00 N ATOM 477 CA PHE A 33 -0.170 7.806 -1.473 1.00 0.00 C ATOM 478 C PHE A 33 0.345 8.998 -2.278 1.00 0.00 C ATOM 479 O PHE A 33 1.420 9.532 -2.001 1.00 0.00 O ATOM 480 CB PHE A 33 -0.525 8.234 -0.048 1.00 0.00 C ATOM 481 CG PHE A 33 -1.502 7.303 0.611 1.00 0.00 C ATOM 482 CD1 PHE A 33 -2.865 7.438 0.398 1.00 0.00 C ATOM 483 CD2 PHE A 33 -1.055 6.277 1.425 1.00 0.00 C ATOM 484 CE1 PHE A 33 -3.761 6.566 0.991 1.00 0.00 C ATOM 485 CE2 PHE A 33 -1.943 5.403 2.018 1.00 0.00 C ATOM 486 CZ PHE A 33 -3.298 5.547 1.801 1.00 0.00 C ATOM 0 H PHE A 33 1.048 6.397 -0.503 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.068 7.439 -1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.385 8.282 0.550 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.945 9.239 -0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.231 8.231 -0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.004 6.159 1.599 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.821 6.682 0.821 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.578 4.608 2.651 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.995 4.864 2.264 1.00 0.00 H new ATOM 496 N ALA A 34 -0.429 9.400 -3.284 1.00 0.00 N ATOM 497 CA ALA A 34 -0.060 10.518 -4.146 1.00 0.00 C ATOM 498 C ALA A 34 -0.251 11.865 -3.452 1.00 0.00 C ATOM 499 O ALA A 34 -0.527 11.932 -2.251 1.00 0.00 O ATOM 500 CB ALA A 34 -0.869 10.472 -5.436 1.00 0.00 C ATOM 0 H ALA A 34 -1.320 8.965 -3.522 1.00 0.00 H new ATOM 0 HA ALA A 34 1.000 10.418 -4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.587 11.310 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.669 9.536 -5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.932 10.536 -5.202 1.00 0.00 H new ATOM 506 N TYR A 35 -0.107 12.940 -4.224 1.00 0.00 N ATOM 507 CA TYR A 35 -0.250 14.296 -3.703 1.00 0.00 C ATOM 508 C TYR A 35 -1.556 14.474 -2.929 1.00 0.00 C ATOM 509 O TYR A 35 -2.599 13.938 -3.306 1.00 0.00 O ATOM 510 CB TYR A 35 -0.188 15.313 -4.845 1.00 0.00 C ATOM 511 CG TYR A 35 0.274 16.682 -4.402 1.00 0.00 C ATOM 512 CD1 TYR A 35 -0.629 17.611 -3.900 1.00 0.00 C ATOM 513 CD2 TYR A 35 1.614 17.041 -4.471 1.00 0.00 C ATOM 514 CE1 TYR A 35 -0.210 18.860 -3.482 1.00 0.00 C ATOM 515 CE2 TYR A 35 2.041 18.288 -4.052 1.00 0.00 C ATOM 516 CZ TYR A 35 1.126 19.193 -3.559 1.00 0.00 C ATOM 517 OH TYR A 35 1.548 20.435 -3.141 1.00 0.00 O ATOM 0 H TYR A 35 0.110 12.896 -5.220 1.00 0.00 H new ATOM 0 HA TYR A 35 0.577 14.467 -3.014 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.486 14.942 -5.617 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.175 15.400 -5.299 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.676 17.353 -3.835 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.334 16.335 -4.858 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.925 19.572 -3.097 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.087 18.551 -4.111 1.00 0.00 H new ATOM 0 HH TYR A 35 2.518 20.508 -3.261 1.00 0.00 H new ATOM 527 N GLY A 36 -1.483 15.250 -1.851 1.00 0.00 N ATOM 528 CA GLY A 36 -2.632 15.531 -1.030 1.00 0.00 C ATOM 529 C GLY A 36 -3.497 14.324 -0.704 1.00 0.00 C ATOM 530 O GLY A 36 -4.642 14.484 -0.281 1.00 0.00 O ATOM 0 H GLY A 36 -0.623 15.696 -1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.292 15.979 -0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.248 16.275 -1.535 1.00 0.00 H new ATOM 534 N ALA A 37 -2.967 13.115 -0.882 1.00 0.00 N ATOM 535 CA ALA A 37 -3.729 11.912 -0.571 1.00 0.00 C ATOM 536 C ALA A 37 -3.915 11.778 0.936 1.00 0.00 C ATOM 537 O ALA A 37 -3.451 12.625 1.701 1.00 0.00 O ATOM 538 CB ALA A 37 -3.045 10.680 -1.141 1.00 0.00 C ATOM 0 H ALA A 37 -2.025 12.945 -1.235 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.712 11.996 -1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.630 9.793 -0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.966 10.776 -2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.048 10.586 -0.711 1.00 0.00 H new ATOM 544 N CYS A 38 -4.577 10.710 1.365 1.00 0.00 N ATOM 545 CA CYS A 38 -4.803 10.486 2.788 1.00 0.00 C ATOM 546 C CYS A 38 -5.007 9.006 3.093 1.00 0.00 C ATOM 547 O CYS A 38 -5.484 8.244 2.254 1.00 0.00 O ATOM 548 CB CYS A 38 -6.016 11.280 3.266 1.00 0.00 C ATOM 549 SG CYS A 38 -5.599 12.809 4.166 1.00 0.00 S ATOM 0 H CYS A 38 -4.964 9.991 0.754 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.915 10.827 3.320 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.632 11.535 2.404 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.621 10.644 3.913 1.00 0.00 H new ATOM 554 N ALA A 39 -4.652 8.618 4.312 1.00 0.00 N ATOM 555 CA ALA A 39 -4.795 7.237 4.759 1.00 0.00 C ATOM 556 C ALA A 39 -6.261 6.874 4.971 1.00 0.00 C ATOM 557 O ALA A 39 -7.038 7.673 5.493 1.00 0.00 O ATOM 558 CB ALA A 39 -4.004 7.014 6.040 1.00 0.00 C ATOM 0 H ALA A 39 -4.260 9.246 5.014 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.398 6.587 3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.119 5.979 6.363 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.950 7.222 5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.376 7.681 6.818 1.00 0.00 H new ATOM 564 N ALA A 40 -6.632 5.661 4.572 1.00 0.00 N ATOM 565 CA ALA A 40 -8.004 5.196 4.727 1.00 0.00 C ATOM 566 C ALA A 40 -8.181 4.436 6.037 1.00 0.00 C ATOM 567 O ALA A 40 -7.264 4.366 6.854 1.00 0.00 O ATOM 568 CB ALA A 40 -8.404 4.321 3.547 1.00 0.00 C ATOM 0 H ALA A 40 -6.002 4.985 4.140 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.656 6.069 4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.432 3.981 3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.326 4.896 2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.741 3.458 3.493 1.00 0.00 H new ATOM 574 N LYS A 41 -9.366 3.864 6.230 1.00 0.00 N ATOM 575 CA LYS A 41 -9.657 3.109 7.441 1.00 0.00 C ATOM 576 C LYS A 41 -8.693 1.934 7.589 1.00 0.00 C ATOM 577 O LYS A 41 -7.714 2.016 8.330 1.00 0.00 O ATOM 578 CB LYS A 41 -11.107 2.612 7.427 1.00 0.00 C ATOM 579 CG LYS A 41 -11.961 3.201 8.539 1.00 0.00 C ATOM 580 CD LYS A 41 -12.509 2.120 9.459 1.00 0.00 C ATOM 581 CE LYS A 41 -13.961 1.797 9.140 1.00 0.00 C ATOM 582 NZ LYS A 41 -14.141 0.371 8.752 1.00 0.00 N ATOM 0 H LYS A 41 -10.137 3.910 5.564 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.525 3.771 8.297 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.557 2.857 6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.111 1.525 7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.367 3.906 9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.788 3.763 8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.905 1.218 9.362 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.428 2.448 10.495 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.581 2.018 10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.306 2.440 8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.882 0.300 8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.247 -0.001 8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.420 -0.183 9.587 1.00 0.00 H new ATOM 596 N ARG A 42 -8.971 0.842 6.880 1.00 0.00 N ATOM 597 CA ARG A 42 -8.119 -0.336 6.942 1.00 0.00 C ATOM 598 C ARG A 42 -6.991 -0.251 5.918 1.00 0.00 C ATOM 599 O ARG A 42 -5.897 -0.767 6.145 1.00 0.00 O ATOM 600 CB ARG A 42 -8.925 -1.616 6.707 1.00 0.00 C ATOM 601 CG ARG A 42 -10.284 -1.636 7.391 1.00 0.00 C ATOM 602 CD ARG A 42 -10.202 -2.285 8.764 1.00 0.00 C ATOM 603 NE ARG A 42 -11.460 -2.925 9.148 1.00 0.00 N ATOM 604 CZ ARG A 42 -12.384 -2.355 9.923 1.00 0.00 C ATOM 605 NH1 ARG A 42 -12.210 -1.124 10.388 1.00 0.00 N ATOM 606 NH2 ARG A 42 -13.491 -3.020 10.229 1.00 0.00 N ATOM 0 H ARG A 42 -9.776 0.752 6.260 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.689 -0.370 7.943 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.069 -1.749 5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.342 -2.468 7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.659 -0.617 7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.997 -2.179 6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.403 -3.027 8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.939 -1.531 9.506 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.642 -3.867 8.801 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.364 -0.605 10.153 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.923 -0.697 10.980 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.634 -3.965 9.872 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.199 -2.586 10.821 1.00 0.00 H new ATOM 620 N ASN A 43 -7.275 0.361 4.771 1.00 0.00 N ATOM 621 CA ASN A 43 -6.299 0.474 3.705 1.00 0.00 C ATOM 622 C ASN A 43 -5.257 1.533 4.047 1.00 0.00 C ATOM 623 O ASN A 43 -5.241 2.620 3.469 1.00 0.00 O ATOM 624 CB ASN A 43 -7.020 0.862 2.420 1.00 0.00 C ATOM 625 CG ASN A 43 -6.624 -0.020 1.273 1.00 0.00 C ATOM 626 OD1 ASN A 43 -5.789 0.326 0.438 1.00 0.00 O ATOM 627 ND2 ASN A 43 -7.245 -1.185 1.253 1.00 0.00 N ATOM 0 H ASN A 43 -8.178 0.786 4.561 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.791 -0.482 3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.097 0.797 2.574 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.795 1.900 2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.042 -1.859 0.515 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.928 -1.411 1.976 1.00 0.00 H new ATOM 634 N ASN A 44 -4.392 1.214 5.001 1.00 0.00 N ATOM 635 CA ASN A 44 -3.356 2.148 5.423 1.00 0.00 C ATOM 636 C ASN A 44 -2.169 1.426 6.051 1.00 0.00 C ATOM 637 O ASN A 44 -2.159 1.169 7.255 1.00 0.00 O ATOM 638 CB ASN A 44 -3.935 3.151 6.423 1.00 0.00 C ATOM 639 CG ASN A 44 -4.492 2.476 7.661 1.00 0.00 C ATOM 640 OD1 ASN A 44 -4.708 1.263 7.676 1.00 0.00 O ATOM 641 ND2 ASN A 44 -4.728 3.258 8.707 1.00 0.00 N ATOM 0 H ASN A 44 -4.386 0.321 5.495 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.001 2.673 4.536 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.158 3.858 6.716 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.724 3.727 5.940 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.103 2.859 9.568 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.534 4.258 8.650 1.00 0.00 H new ATOM 648 N PHE A 45 -1.163 1.111 5.240 1.00 0.00 N ATOM 649 CA PHE A 45 0.024 0.435 5.732 1.00 0.00 C ATOM 650 C PHE A 45 1.197 1.410 5.776 1.00 0.00 C ATOM 651 O PHE A 45 1.452 2.132 4.810 1.00 0.00 O ATOM 652 CB PHE A 45 0.347 -0.761 4.838 1.00 0.00 C ATOM 653 CG PHE A 45 -0.753 -1.784 4.813 1.00 0.00 C ATOM 654 CD1 PHE A 45 -0.836 -2.757 5.797 1.00 0.00 C ATOM 655 CD2 PHE A 45 -1.712 -1.764 3.813 1.00 0.00 C ATOM 656 CE1 PHE A 45 -1.856 -3.691 5.785 1.00 0.00 C ATOM 657 CE2 PHE A 45 -2.734 -2.696 3.794 1.00 0.00 C ATOM 658 CZ PHE A 45 -2.807 -3.661 4.781 1.00 0.00 C ATOM 0 H PHE A 45 -1.150 1.315 4.241 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.160 0.072 6.743 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.533 -0.410 3.823 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.266 -1.231 5.187 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.095 -2.786 6.582 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.661 -1.012 3.039 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.910 -4.443 6.559 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.475 -2.670 3.008 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.604 -4.389 4.768 1.00 0.00 H new ATOM 668 N LYS A 46 1.894 1.446 6.909 1.00 0.00 N ATOM 669 CA LYS A 46 3.026 2.350 7.085 1.00 0.00 C ATOM 670 C LYS A 46 4.149 2.052 6.094 1.00 0.00 C ATOM 671 O LYS A 46 5.081 2.844 5.950 1.00 0.00 O ATOM 672 CB LYS A 46 3.557 2.266 8.518 1.00 0.00 C ATOM 673 CG LYS A 46 3.797 0.845 9.002 1.00 0.00 C ATOM 674 CD LYS A 46 2.705 0.386 9.958 1.00 0.00 C ATOM 675 CE LYS A 46 3.111 0.583 11.411 1.00 0.00 C ATOM 676 NZ LYS A 46 4.462 0.022 11.694 1.00 0.00 N ATOM 0 H LYS A 46 1.694 0.859 7.719 1.00 0.00 H new ATOM 0 HA LYS A 46 2.669 3.362 6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.491 2.824 8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.848 2.753 9.187 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.839 0.171 8.146 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.765 0.788 9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.789 0.941 9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.485 -0.667 9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.103 1.647 11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.377 0.106 12.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.491 -0.338 12.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.661 -0.755 11.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.178 0.767 11.579 1.00 0.00 H new ATOM 690 N SER A 47 4.064 0.913 5.414 1.00 0.00 N ATOM 691 CA SER A 47 5.081 0.533 4.444 1.00 0.00 C ATOM 692 C SER A 47 4.523 -0.428 3.408 1.00 0.00 C ATOM 693 O SER A 47 3.640 -1.236 3.704 1.00 0.00 O ATOM 694 CB SER A 47 6.272 -0.117 5.148 1.00 0.00 C ATOM 695 OG SER A 47 5.946 -0.480 6.480 1.00 0.00 O ATOM 0 H SER A 47 3.304 0.241 5.517 1.00 0.00 H new ATOM 0 HA SER A 47 5.408 1.441 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.587 -1.001 4.594 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.116 0.573 5.153 1.00 0.00 H new ATOM 0 HG SER A 47 6.725 -0.895 6.906 1.00 0.00 H new ATOM 701 N ALA A 48 5.059 -0.357 2.195 1.00 0.00 N ATOM 702 CA ALA A 48 4.619 -1.244 1.130 1.00 0.00 C ATOM 703 C ALA A 48 4.843 -2.683 1.546 1.00 0.00 C ATOM 704 O ALA A 48 4.029 -3.559 1.259 1.00 0.00 O ATOM 705 CB ALA A 48 5.347 -0.936 -0.171 1.00 0.00 C ATOM 0 H ALA A 48 5.792 0.300 1.928 1.00 0.00 H new ATOM 0 HA ALA A 48 3.555 -1.086 0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.000 -1.613 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.144 0.093 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.420 -1.067 -0.028 1.00 0.00 H new ATOM 711 N GLU A 49 5.935 -2.913 2.267 1.00 0.00 N ATOM 712 CA GLU A 49 6.234 -4.241 2.764 1.00 0.00 C ATOM 713 C GLU A 49 5.099 -4.675 3.675 1.00 0.00 C ATOM 714 O GLU A 49 4.674 -5.828 3.659 1.00 0.00 O ATOM 715 CB GLU A 49 7.566 -4.253 3.519 1.00 0.00 C ATOM 716 CG GLU A 49 8.441 -5.453 3.194 1.00 0.00 C ATOM 717 CD GLU A 49 9.020 -6.109 4.432 1.00 0.00 C ATOM 718 OE1 GLU A 49 9.018 -5.462 5.501 1.00 0.00 O ATOM 719 OE2 GLU A 49 9.471 -7.269 4.334 1.00 0.00 O ATOM 0 H GLU A 49 6.620 -2.200 2.516 1.00 0.00 H new ATOM 0 HA GLU A 49 6.327 -4.935 1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.114 -3.340 3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.366 -4.239 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.854 -6.186 2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.255 -5.138 2.541 1.00 0.00 H new ATOM 726 N ASP A 50 4.594 -3.714 4.452 1.00 0.00 N ATOM 727 CA ASP A 50 3.484 -3.966 5.356 1.00 0.00 C ATOM 728 C ASP A 50 2.215 -4.278 4.563 1.00 0.00 C ATOM 729 O ASP A 50 1.507 -5.238 4.870 1.00 0.00 O ATOM 730 CB ASP A 50 3.260 -2.766 6.279 1.00 0.00 C ATOM 731 CG ASP A 50 3.507 -3.105 7.736 1.00 0.00 C ATOM 732 OD1 ASP A 50 2.923 -4.097 8.221 1.00 0.00 O ATOM 733 OD2 ASP A 50 4.282 -2.379 8.392 1.00 0.00 O ATOM 0 H ASP A 50 4.941 -2.755 4.469 1.00 0.00 H new ATOM 0 HA ASP A 50 3.728 -4.831 5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.922 -1.953 5.981 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.238 -2.405 6.161 1.00 0.00 H new ATOM 738 N CYS A 51 1.930 -3.470 3.534 1.00 0.00 N ATOM 739 CA CYS A 51 0.745 -3.688 2.707 1.00 0.00 C ATOM 740 C CYS A 51 0.814 -5.059 2.041 1.00 0.00 C ATOM 741 O CYS A 51 -0.085 -5.884 2.194 1.00 0.00 O ATOM 742 CB CYS A 51 0.640 -2.584 1.646 1.00 0.00 C ATOM 743 SG CYS A 51 -0.454 -2.975 0.235 1.00 0.00 S ATOM 0 H CYS A 51 2.499 -2.669 3.259 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.142 -3.654 3.340 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.280 -1.673 2.125 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.639 -2.370 1.265 1.00 0.00 H new ATOM 748 N LEU A 52 1.900 -5.299 1.314 1.00 0.00 N ATOM 749 CA LEU A 52 2.104 -6.566 0.624 1.00 0.00 C ATOM 750 C LEU A 52 1.961 -7.752 1.575 1.00 0.00 C ATOM 751 O LEU A 52 1.351 -8.760 1.234 1.00 0.00 O ATOM 752 CB LEU A 52 3.485 -6.591 -0.029 1.00 0.00 C ATOM 753 CG LEU A 52 3.644 -5.673 -1.240 1.00 0.00 C ATOM 754 CD1 LEU A 52 5.031 -5.825 -1.843 1.00 0.00 C ATOM 755 CD2 LEU A 52 2.574 -5.973 -2.280 1.00 0.00 C ATOM 0 H LEU A 52 2.657 -4.627 1.187 1.00 0.00 H new ATOM 0 HA LEU A 52 1.335 -6.654 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.229 -6.314 0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.707 -7.613 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 52 3.523 -4.641 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.128 -5.164 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.782 -5.562 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.179 -6.858 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.702 -5.310 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.665 -7.009 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.588 -5.815 -1.843 1.00 0.00 H new ATOM 767 N ARG A 53 2.525 -7.629 2.769 1.00 0.00 N ATOM 768 CA ARG A 53 2.452 -8.706 3.752 1.00 0.00 C ATOM 769 C ARG A 53 1.003 -9.034 4.103 1.00 0.00 C ATOM 770 O ARG A 53 0.590 -10.192 4.058 1.00 0.00 O ATOM 771 CB ARG A 53 3.221 -8.324 5.020 1.00 0.00 C ATOM 772 CG ARG A 53 4.399 -9.237 5.315 1.00 0.00 C ATOM 773 CD ARG A 53 5.172 -8.766 6.535 1.00 0.00 C ATOM 774 NE ARG A 53 4.314 -8.656 7.714 1.00 0.00 N ATOM 775 CZ ARG A 53 4.534 -7.810 8.718 1.00 0.00 C ATOM 776 NH1 ARG A 53 5.590 -7.004 8.703 1.00 0.00 N ATOM 777 NH2 ARG A 53 3.697 -7.772 9.746 1.00 0.00 N ATOM 0 H ARG A 53 3.035 -6.802 3.080 1.00 0.00 H new ATOM 0 HA ARG A 53 2.908 -9.592 3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.581 -7.300 4.922 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.537 -8.341 5.869 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.042 -10.254 5.479 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.063 -9.268 4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.985 -9.462 6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.627 -7.798 6.325 1.00 0.00 H new ATOM 0 HE ARG A 53 3.497 -9.264 7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.240 -7.030 7.918 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.750 -6.359 9.477 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.886 -8.390 9.767 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.864 -7.124 10.516 1.00 0.00 H new ATOM 791 N THR A 54 0.241 -8.009 4.463 1.00 0.00 N ATOM 792 CA THR A 54 -1.159 -8.188 4.839 1.00 0.00 C ATOM 793 C THR A 54 -2.065 -8.349 3.620 1.00 0.00 C ATOM 794 O THR A 54 -2.779 -9.344 3.492 1.00 0.00 O ATOM 795 CB THR A 54 -1.632 -7.001 5.680 1.00 0.00 C ATOM 796 OG1 THR A 54 -0.766 -6.794 6.782 1.00 0.00 O ATOM 797 CG2 THR A 54 -3.034 -7.177 6.226 1.00 0.00 C ATOM 0 H THR A 54 0.568 -7.044 4.503 1.00 0.00 H new ATOM 0 HA THR A 54 -1.224 -9.105 5.424 1.00 0.00 H new ATOM 0 HB THR A 54 -1.626 -6.145 5.005 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.040 -6.324 6.481 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.309 -6.301 6.813 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.734 -7.294 5.399 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.069 -8.063 6.859 1.00 0.00 H new ATOM 805 N CYS A 55 -2.058 -7.349 2.746 1.00 0.00 N ATOM 806 CA CYS A 55 -2.902 -7.368 1.558 1.00 0.00 C ATOM 807 C CYS A 55 -2.350 -8.287 0.471 1.00 0.00 C ATOM 808 O CYS A 55 -3.110 -9.002 -0.185 1.00 0.00 O ATOM 809 CB CYS A 55 -3.069 -5.950 1.005 1.00 0.00 C ATOM 810 SG CYS A 55 -4.303 -4.951 1.896 1.00 0.00 S ATOM 0 H CYS A 55 -1.477 -6.515 2.838 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.873 -7.762 1.859 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.107 -5.440 1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.355 -6.011 -0.045 1.00 0.00 H new ATOM 815 N GLY A 56 -1.039 -8.262 0.270 1.00 0.00 N ATOM 816 CA GLY A 56 -0.434 -9.100 -0.753 1.00 0.00 C ATOM 817 C GLY A 56 -0.493 -10.576 -0.404 1.00 0.00 C ATOM 818 O GLY A 56 -1.328 -11.311 -0.933 1.00 0.00 O ATOM 0 H GLY A 56 -0.384 -7.680 0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.943 -8.934 -1.702 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.606 -8.804 -0.893 1.00 0.00 H new