USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 406 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+ -162:sc= -0.128 (180deg=-0.649) USER MOD Single : A 10 TYR OH : rot 146:sc= -0.0504 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -1.51 USER MOD Single : A 24 ASN : amide:sc= -3.33! C(o=-3.3!,f=-15!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.15 K(o=-1.1,f=-5!) USER MOD Single : A 32 THR OG1 : rot -52:sc= 0.154 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= -6.63! C(o=-6.6!,f=-8.4!) USER MOD Single : A 44 ASN : amide:sc= -1.62 K(o=-1.6,f=-6!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.198 USER MOD Single : A 54 THR OG1 : rot 76:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.731 -12.219 -0.467 1.00 0.00 N ATOM 2 CA ARG A 1 -7.197 -10.920 0.021 1.00 0.00 C ATOM 3 C ARG A 1 -8.134 -10.295 1.054 1.00 0.00 C ATOM 4 O ARG A 1 -9.355 -10.415 0.946 1.00 0.00 O ATOM 5 CB ARG A 1 -7.020 -9.980 -1.176 1.00 0.00 C ATOM 6 CG ARG A 1 -6.499 -10.672 -2.426 1.00 0.00 C ATOM 7 CD ARG A 1 -6.243 -9.679 -3.549 1.00 0.00 C ATOM 8 NE ARG A 1 -4.817 -9.427 -3.743 1.00 0.00 N ATOM 9 CZ ARG A 1 -3.956 -10.338 -4.191 1.00 0.00 C ATOM 10 NH1 ARG A 1 -4.369 -11.565 -4.484 1.00 0.00 N ATOM 11 NH2 ARG A 1 -2.677 -10.022 -4.344 1.00 0.00 N ATOM 0 H1 ARG A 1 -6.966 -12.762 -0.917 1.00 0.00 H new ATOM 0 H2 ARG A 1 -8.114 -12.760 0.334 1.00 0.00 H new ATOM 0 H3 ARG A 1 -8.486 -12.045 -1.160 1.00 0.00 H new ATOM 0 HA ARG A 1 -6.236 -11.087 0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -7.978 -9.512 -1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.332 -9.181 -0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -5.576 -11.203 -2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -7.221 -11.419 -2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -6.673 -10.061 -4.475 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -6.750 -8.740 -3.325 1.00 0.00 H new ATOM 0 HE ARG A 1 -4.460 -8.497 -3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -5.351 -11.814 -4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -3.704 -12.259 -4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -2.354 -9.081 -4.118 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -2.017 -10.720 -4.687 1.00 0.00 H new ATOM 27 N PRO A 2 -7.574 -9.628 2.081 1.00 0.00 N ATOM 28 CA PRO A 2 -8.373 -8.994 3.136 1.00 0.00 C ATOM 29 C PRO A 2 -9.353 -7.962 2.582 1.00 0.00 C ATOM 30 O PRO A 2 -9.014 -7.169 1.707 1.00 0.00 O ATOM 31 CB PRO A 2 -7.330 -8.321 4.036 1.00 0.00 C ATOM 32 CG PRO A 2 -6.041 -9.006 3.730 1.00 0.00 C ATOM 33 CD PRO A 2 -6.127 -9.451 2.298 1.00 0.00 C ATOM 0 HA PRO A 2 -8.993 -9.720 3.662 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.265 -7.252 3.831 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.592 -8.428 5.089 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.198 -8.331 3.877 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.887 -9.858 4.393 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.707 -8.708 1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.579 -10.379 2.132 1.00 0.00 H new ATOM 41 N ASP A 3 -10.581 -7.990 3.091 1.00 0.00 N ATOM 42 CA ASP A 3 -11.623 -7.069 2.643 1.00 0.00 C ATOM 43 C ASP A 3 -11.120 -5.630 2.566 1.00 0.00 C ATOM 44 O ASP A 3 -11.155 -5.007 1.505 1.00 0.00 O ATOM 45 CB ASP A 3 -12.828 -7.135 3.586 1.00 0.00 C ATOM 46 CG ASP A 3 -14.102 -7.539 2.870 1.00 0.00 C ATOM 47 OD1 ASP A 3 -14.294 -7.107 1.714 1.00 0.00 O ATOM 48 OD2 ASP A 3 -14.906 -8.288 3.465 1.00 0.00 O ATOM 0 H ASP A 3 -10.880 -8.642 3.816 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.917 -7.379 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.622 -7.848 4.385 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.972 -6.162 4.056 1.00 0.00 H new ATOM 53 N PHE A 4 -10.676 -5.102 3.699 1.00 0.00 N ATOM 54 CA PHE A 4 -10.195 -3.725 3.767 1.00 0.00 C ATOM 55 C PHE A 4 -9.146 -3.421 2.701 1.00 0.00 C ATOM 56 O PHE A 4 -9.040 -2.290 2.236 1.00 0.00 O ATOM 57 CB PHE A 4 -9.613 -3.423 5.148 1.00 0.00 C ATOM 58 CG PHE A 4 -8.596 -4.421 5.620 1.00 0.00 C ATOM 59 CD1 PHE A 4 -8.988 -5.584 6.257 1.00 0.00 C ATOM 60 CD2 PHE A 4 -7.244 -4.185 5.434 1.00 0.00 C ATOM 61 CE1 PHE A 4 -8.051 -6.497 6.697 1.00 0.00 C ATOM 62 CE2 PHE A 4 -6.303 -5.094 5.875 1.00 0.00 C ATOM 63 CZ PHE A 4 -6.707 -6.252 6.506 1.00 0.00 C ATOM 0 H PHE A 4 -10.638 -5.606 4.585 1.00 0.00 H new ATOM 0 HA PHE A 4 -11.059 -3.086 3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.153 -2.435 5.128 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.427 -3.381 5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -10.039 -5.780 6.412 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.922 -3.281 4.939 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.370 -7.403 7.191 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.251 -4.898 5.726 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.973 -6.965 6.850 1.00 0.00 H new ATOM 73 N CYS A 5 -8.381 -4.430 2.303 1.00 0.00 N ATOM 74 CA CYS A 5 -7.354 -4.235 1.286 1.00 0.00 C ATOM 75 C CYS A 5 -7.971 -3.737 -0.013 1.00 0.00 C ATOM 76 O CYS A 5 -7.294 -3.141 -0.848 1.00 0.00 O ATOM 77 CB CYS A 5 -6.576 -5.518 1.033 1.00 0.00 C ATOM 78 SG CYS A 5 -5.439 -5.969 2.380 1.00 0.00 S ATOM 0 H CYS A 5 -8.450 -5.382 2.664 1.00 0.00 H new ATOM 0 HA CYS A 5 -6.660 -3.482 1.660 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -7.281 -6.334 0.878 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.006 -5.410 0.110 1.00 0.00 H new ATOM 83 N LEU A 6 -9.266 -3.974 -0.165 1.00 0.00 N ATOM 84 CA LEU A 6 -9.986 -3.547 -1.360 1.00 0.00 C ATOM 85 C LEU A 6 -10.387 -2.075 -1.268 1.00 0.00 C ATOM 86 O LEU A 6 -10.821 -1.481 -2.256 1.00 0.00 O ATOM 87 CB LEU A 6 -11.240 -4.404 -1.564 1.00 0.00 C ATOM 88 CG LEU A 6 -11.053 -5.905 -1.333 1.00 0.00 C ATOM 89 CD1 LEU A 6 -12.398 -6.615 -1.323 1.00 0.00 C ATOM 90 CD2 LEU A 6 -10.144 -6.496 -2.401 1.00 0.00 C ATOM 0 H LEU A 6 -9.841 -4.460 0.523 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.317 -3.674 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.019 -4.044 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -11.602 -4.252 -2.581 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.583 -6.050 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -12.245 -7.681 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -13.018 -6.209 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -12.896 -6.464 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.021 -7.564 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -10.589 -6.341 -3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.171 -6.007 -2.362 1.00 0.00 H new ATOM 102 N GLU A 7 -10.248 -1.492 -0.079 1.00 0.00 N ATOM 103 CA GLU A 7 -10.602 -0.089 0.127 1.00 0.00 C ATOM 104 C GLU A 7 -9.594 0.847 -0.537 1.00 0.00 C ATOM 105 O GLU A 7 -8.430 0.897 -0.142 1.00 0.00 O ATOM 106 CB GLU A 7 -10.685 0.236 1.622 1.00 0.00 C ATOM 107 CG GLU A 7 -11.773 -0.530 2.355 1.00 0.00 C ATOM 108 CD GLU A 7 -12.585 0.355 3.281 1.00 0.00 C ATOM 109 OE1 GLU A 7 -12.090 1.441 3.650 1.00 0.00 O ATOM 110 OE2 GLU A 7 -13.715 -0.038 3.639 1.00 0.00 O ATOM 0 H GLU A 7 -9.895 -1.966 0.752 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.578 0.066 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.723 0.017 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.861 1.305 1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.438 -0.995 1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.319 -1.335 2.933 1.00 0.00 H new ATOM 117 N PRO A 8 -10.029 1.612 -1.556 1.00 0.00 N ATOM 118 CA PRO A 8 -9.163 2.552 -2.257 1.00 0.00 C ATOM 119 C PRO A 8 -9.146 3.922 -1.583 1.00 0.00 C ATOM 120 O PRO A 8 -10.076 4.273 -0.856 1.00 0.00 O ATOM 121 CB PRO A 8 -9.819 2.635 -3.630 1.00 0.00 C ATOM 122 CG PRO A 8 -11.280 2.476 -3.353 1.00 0.00 C ATOM 123 CD PRO A 8 -11.399 1.632 -2.103 1.00 0.00 C ATOM 0 HA PRO A 8 -8.120 2.236 -2.279 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.608 3.588 -4.115 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.453 1.852 -4.294 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.754 3.447 -3.210 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.783 1.996 -4.193 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.106 2.065 -1.395 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.752 0.627 -2.332 1.00 0.00 H new ATOM 131 N PRO A 9 -8.097 4.725 -1.824 1.00 0.00 N ATOM 132 CA PRO A 9 -7.985 6.063 -1.240 1.00 0.00 C ATOM 133 C PRO A 9 -8.869 7.080 -1.948 1.00 0.00 C ATOM 134 O PRO A 9 -9.019 7.041 -3.169 1.00 0.00 O ATOM 135 CB PRO A 9 -6.516 6.409 -1.454 1.00 0.00 C ATOM 136 CG PRO A 9 -6.154 5.692 -2.707 1.00 0.00 C ATOM 137 CD PRO A 9 -6.946 4.408 -2.696 1.00 0.00 C ATOM 0 HA PRO A 9 -8.303 6.082 -0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.370 7.485 -1.554 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.903 6.080 -0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.397 6.292 -3.584 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.084 5.490 -2.745 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.267 4.125 -3.698 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.360 3.577 -2.302 1.00 0.00 H new ATOM 145 N TYR A 10 -9.438 7.999 -1.178 1.00 0.00 N ATOM 146 CA TYR A 10 -10.301 9.033 -1.741 1.00 0.00 C ATOM 147 C TYR A 10 -9.485 10.247 -2.174 1.00 0.00 C ATOM 148 O TYR A 10 -8.654 10.753 -1.418 1.00 0.00 O ATOM 149 CB TYR A 10 -11.394 9.444 -0.745 1.00 0.00 C ATOM 150 CG TYR A 10 -10.890 9.958 0.588 1.00 0.00 C ATOM 151 CD1 TYR A 10 -10.442 9.083 1.572 1.00 0.00 C ATOM 152 CD2 TYR A 10 -10.890 11.319 0.874 1.00 0.00 C ATOM 153 CE1 TYR A 10 -10.003 9.550 2.799 1.00 0.00 C ATOM 154 CE2 TYR A 10 -10.457 11.793 2.099 1.00 0.00 C ATOM 155 CZ TYR A 10 -10.016 10.904 3.058 1.00 0.00 C ATOM 156 OH TYR A 10 -9.586 11.371 4.278 1.00 0.00 O ATOM 0 H TYR A 10 -9.319 8.051 -0.166 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.787 8.616 -2.623 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -12.011 10.216 -1.205 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -12.041 8.585 -0.565 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.437 8.021 1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.234 12.018 0.126 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.652 8.857 3.550 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.464 12.853 2.304 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.147 12.239 4.160 1.00 0.00 H new ATOM 166 N ALA A 11 -9.719 10.704 -3.400 1.00 0.00 N ATOM 167 CA ALA A 11 -9.002 11.851 -3.940 1.00 0.00 C ATOM 168 C ALA A 11 -9.824 13.128 -3.810 1.00 0.00 C ATOM 169 O ALA A 11 -10.643 13.443 -4.674 1.00 0.00 O ATOM 170 CB ALA A 11 -8.637 11.603 -5.397 1.00 0.00 C ATOM 0 H ALA A 11 -10.401 10.296 -4.039 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.087 11.981 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.101 12.467 -5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.002 10.720 -5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.546 11.444 -5.978 1.00 0.00 H new ATOM 176 N GLY A 12 -9.595 13.862 -2.727 1.00 0.00 N ATOM 177 CA GLY A 12 -10.319 15.100 -2.502 1.00 0.00 C ATOM 178 C GLY A 12 -9.399 16.302 -2.443 1.00 0.00 C ATOM 179 O GLY A 12 -9.028 16.859 -3.475 1.00 0.00 O ATOM 0 H GLY A 12 -8.921 13.622 -2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -11.048 15.242 -3.300 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.878 15.027 -1.569 1.00 0.00 H new ATOM 183 N ALA A 13 -9.020 16.695 -1.233 1.00 0.00 N ATOM 184 CA ALA A 13 -8.136 17.815 -1.040 1.00 0.00 C ATOM 185 C ALA A 13 -7.507 17.796 0.350 1.00 0.00 C ATOM 186 O ALA A 13 -8.116 18.236 1.324 1.00 0.00 O ATOM 187 CB ALA A 13 -8.865 19.126 -1.287 1.00 0.00 C ATOM 0 H ALA A 13 -9.320 16.243 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.329 17.730 -1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.178 19.959 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.240 19.147 -2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.701 19.214 -0.593 1.00 0.00 H new ATOM 193 N CYS A 14 -6.282 17.288 0.432 1.00 0.00 N ATOM 194 CA CYS A 14 -5.563 17.218 1.699 1.00 0.00 C ATOM 195 C CYS A 14 -4.082 16.939 1.466 1.00 0.00 C ATOM 196 O CYS A 14 -3.721 16.012 0.740 1.00 0.00 O ATOM 197 CB CYS A 14 -6.165 16.140 2.604 1.00 0.00 C ATOM 198 SG CYS A 14 -6.362 14.509 1.814 1.00 0.00 S ATOM 0 H CYS A 14 -5.765 16.918 -0.366 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.661 18.184 2.194 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.532 16.029 3.485 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.140 16.480 2.953 1.00 0.00 H new ATOM 203 N ARG A 15 -3.229 17.742 2.093 1.00 0.00 N ATOM 204 CA ARG A 15 -1.784 17.584 1.951 1.00 0.00 C ATOM 205 C ARG A 15 -1.274 16.472 2.862 1.00 0.00 C ATOM 206 O ARG A 15 -1.544 16.467 4.063 1.00 0.00 O ATOM 207 CB ARG A 15 -1.061 18.895 2.282 1.00 0.00 C ATOM 208 CG ARG A 15 -1.786 20.146 1.803 1.00 0.00 C ATOM 209 CD ARG A 15 -1.565 20.389 0.319 1.00 0.00 C ATOM 210 NE ARG A 15 -2.464 21.417 -0.202 1.00 0.00 N ATOM 211 CZ ARG A 15 -2.238 22.105 -1.319 1.00 0.00 C ATOM 212 NH1 ARG A 15 -1.149 21.874 -2.042 1.00 0.00 N ATOM 213 NH2 ARG A 15 -3.107 23.025 -1.716 1.00 0.00 N ATOM 0 H ARG A 15 -3.512 18.508 2.704 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.575 17.317 0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.924 18.959 3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.067 18.871 1.836 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.853 20.046 2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.436 21.009 2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.531 20.690 0.150 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.720 19.459 -0.229 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.316 21.619 0.322 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.479 21.166 -1.743 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.982 22.405 -2.897 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.947 23.204 -1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.935 23.553 -2.572 1.00 0.00 H new ATOM 227 N ALA A 16 -0.540 15.529 2.282 1.00 0.00 N ATOM 228 CA ALA A 16 0.010 14.411 3.040 1.00 0.00 C ATOM 229 C ALA A 16 1.067 13.671 2.232 1.00 0.00 C ATOM 230 O ALA A 16 0.977 13.584 1.007 1.00 0.00 O ATOM 231 CB ALA A 16 -1.100 13.460 3.461 1.00 0.00 C ATOM 0 H ALA A 16 -0.312 15.516 1.288 1.00 0.00 H new ATOM 0 HA ALA A 16 0.487 14.810 3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.674 12.631 4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.818 13.992 4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.604 13.074 2.575 1.00 0.00 H new ATOM 237 N ALA A 17 2.064 13.135 2.924 1.00 0.00 N ATOM 238 CA ALA A 17 3.127 12.398 2.278 1.00 0.00 C ATOM 239 C ALA A 17 3.871 11.524 3.276 1.00 0.00 C ATOM 240 O ALA A 17 5.101 11.459 3.274 1.00 0.00 O ATOM 241 CB ALA A 17 4.077 13.344 1.559 1.00 0.00 C ATOM 0 H ALA A 17 2.153 13.201 3.938 1.00 0.00 H new ATOM 0 HA ALA A 17 2.680 11.740 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.869 12.769 1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.528 13.906 0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.515 14.036 2.278 1.00 0.00 H new ATOM 247 N ALA A 18 3.109 10.847 4.120 1.00 0.00 N ATOM 248 CA ALA A 18 3.680 9.961 5.126 1.00 0.00 C ATOM 249 C ALA A 18 4.246 8.702 4.482 1.00 0.00 C ATOM 250 O ALA A 18 3.908 8.370 3.346 1.00 0.00 O ATOM 251 CB ALA A 18 2.633 9.600 6.169 1.00 0.00 C ATOM 0 H ALA A 18 2.090 10.893 4.129 1.00 0.00 H new ATOM 0 HA ALA A 18 4.497 10.487 5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.075 8.938 6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.277 10.508 6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.796 9.096 5.685 1.00 0.00 H new ATOM 257 N ALA A 19 5.109 8.000 5.210 1.00 0.00 N ATOM 258 CA ALA A 19 5.717 6.774 4.704 1.00 0.00 C ATOM 259 C ALA A 19 4.760 5.586 4.823 1.00 0.00 C ATOM 260 O ALA A 19 5.153 4.503 5.259 1.00 0.00 O ATOM 261 CB ALA A 19 7.022 6.493 5.438 1.00 0.00 C ATOM 0 H ALA A 19 5.403 8.259 6.152 1.00 0.00 H new ATOM 0 HA ALA A 19 5.934 6.915 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.466 5.576 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.712 7.323 5.285 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.823 6.379 6.504 1.00 0.00 H new ATOM 267 N ARG A 20 3.503 5.792 4.436 1.00 0.00 N ATOM 268 CA ARG A 20 2.501 4.737 4.503 1.00 0.00 C ATOM 269 C ARG A 20 2.250 4.125 3.128 1.00 0.00 C ATOM 270 O ARG A 20 2.618 4.695 2.101 1.00 0.00 O ATOM 271 CB ARG A 20 1.190 5.284 5.072 1.00 0.00 C ATOM 272 CG ARG A 20 1.343 5.949 6.429 1.00 0.00 C ATOM 273 CD ARG A 20 0.013 6.030 7.162 1.00 0.00 C ATOM 274 NE ARG A 20 0.078 5.391 8.474 1.00 0.00 N ATOM 275 CZ ARG A 20 -0.478 5.889 9.578 1.00 0.00 C ATOM 276 NH1 ARG A 20 -1.170 7.022 9.537 1.00 0.00 N ATOM 277 NH2 ARG A 20 -0.348 5.244 10.730 1.00 0.00 N ATOM 0 H ARG A 20 3.157 6.680 4.073 1.00 0.00 H new ATOM 0 HA ARG A 20 2.883 3.957 5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.772 6.005 4.369 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.472 4.468 5.156 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.058 5.389 7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.751 6.952 6.300 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.274 7.075 7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.762 5.552 6.563 1.00 0.00 H new ATOM 0 HE ARG A 20 0.581 4.507 8.550 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.280 7.521 8.654 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.591 7.394 10.389 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.176 4.370 10.769 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.772 5.622 11.577 1.00 0.00 H new ATOM 291 N TYR A 21 1.618 2.958 3.116 1.00 0.00 N ATOM 292 CA TYR A 21 1.313 2.267 1.871 1.00 0.00 C ATOM 293 C TYR A 21 -0.103 1.703 1.893 1.00 0.00 C ATOM 294 O TYR A 21 -0.661 1.445 2.959 1.00 0.00 O ATOM 295 CB TYR A 21 2.301 1.123 1.634 1.00 0.00 C ATOM 296 CG TYR A 21 3.753 1.542 1.599 1.00 0.00 C ATOM 297 CD1 TYR A 21 4.454 1.799 2.770 1.00 0.00 C ATOM 298 CD2 TYR A 21 4.430 1.658 0.393 1.00 0.00 C ATOM 299 CE1 TYR A 21 5.788 2.158 2.739 1.00 0.00 C ATOM 300 CE2 TYR A 21 5.763 2.019 0.354 1.00 0.00 C ATOM 301 CZ TYR A 21 6.436 2.268 1.529 1.00 0.00 C ATOM 302 OH TYR A 21 7.765 2.625 1.493 1.00 0.00 O ATOM 0 H TYR A 21 1.307 2.470 3.956 1.00 0.00 H new ATOM 0 HA TYR A 21 1.396 2.994 1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.170 0.379 2.420 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.054 0.637 0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.948 1.717 3.721 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.906 1.463 -0.531 1.00 0.00 H new ATOM 0 HE1 TYR A 21 6.320 2.351 3.659 1.00 0.00 H new ATOM 0 HE2 TYR A 21 6.274 2.105 -0.593 1.00 0.00 H new ATOM 0 HH TYR A 21 8.070 2.656 0.562 1.00 0.00 H new ATOM 312 N PHE A 22 -0.671 1.486 0.710 1.00 0.00 N ATOM 313 CA PHE A 22 -2.013 0.915 0.602 1.00 0.00 C ATOM 314 C PHE A 22 -2.108 0.000 -0.608 1.00 0.00 C ATOM 315 O PHE A 22 -1.293 0.078 -1.521 1.00 0.00 O ATOM 316 CB PHE A 22 -3.084 2.003 0.529 1.00 0.00 C ATOM 317 CG PHE A 22 -2.981 2.903 -0.670 1.00 0.00 C ATOM 318 CD1 PHE A 22 -3.261 2.424 -1.938 1.00 0.00 C ATOM 319 CD2 PHE A 22 -2.616 4.229 -0.525 1.00 0.00 C ATOM 320 CE1 PHE A 22 -3.177 3.253 -3.039 1.00 0.00 C ATOM 321 CE2 PHE A 22 -2.529 5.061 -1.621 1.00 0.00 C ATOM 322 CZ PHE A 22 -2.811 4.573 -2.881 1.00 0.00 C ATOM 0 H PHE A 22 -0.227 1.695 -0.184 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.194 0.329 1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.065 1.529 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.026 2.613 1.431 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.548 1.391 -2.068 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.396 4.617 0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.398 2.868 -4.023 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.240 6.094 -1.494 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.745 5.223 -3.741 1.00 0.00 H new ATOM 332 N TYR A 23 -3.097 -0.881 -0.595 1.00 0.00 N ATOM 333 CA TYR A 23 -3.283 -1.840 -1.690 1.00 0.00 C ATOM 334 C TYR A 23 -4.125 -1.251 -2.819 1.00 0.00 C ATOM 335 O TYR A 23 -5.060 -0.487 -2.579 1.00 0.00 O ATOM 336 CB TYR A 23 -3.935 -3.129 -1.177 1.00 0.00 C ATOM 337 CG TYR A 23 -4.072 -4.196 -2.244 1.00 0.00 C ATOM 338 CD1 TYR A 23 -2.948 -4.801 -2.797 1.00 0.00 C ATOM 339 CD2 TYR A 23 -5.321 -4.594 -2.703 1.00 0.00 C ATOM 340 CE1 TYR A 23 -3.069 -5.770 -3.775 1.00 0.00 C ATOM 341 CE2 TYR A 23 -5.448 -5.562 -3.679 1.00 0.00 C ATOM 342 CZ TYR A 23 -4.321 -6.147 -4.212 1.00 0.00 C ATOM 343 OH TYR A 23 -4.446 -7.113 -5.182 1.00 0.00 O ATOM 0 H TYR A 23 -3.784 -0.957 0.155 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.294 -2.071 -2.087 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.343 -3.524 -0.352 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.922 -2.895 -0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.965 -4.509 -2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.208 -4.138 -2.289 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.187 -6.230 -4.195 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.428 -5.859 -4.023 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.395 -7.262 -5.375 1.00 0.00 H new ATOM 353 N ASN A 24 -3.798 -1.633 -4.048 1.00 0.00 N ATOM 354 CA ASN A 24 -4.524 -1.172 -5.224 1.00 0.00 C ATOM 355 C ASN A 24 -5.234 -2.348 -5.881 1.00 0.00 C ATOM 356 O ASN A 24 -4.687 -2.993 -6.770 1.00 0.00 O ATOM 357 CB ASN A 24 -3.562 -0.515 -6.219 1.00 0.00 C ATOM 358 CG ASN A 24 -4.262 -0.026 -7.469 1.00 0.00 C ATOM 359 OD1 ASN A 24 -5.277 -0.581 -7.888 1.00 0.00 O ATOM 360 ND2 ASN A 24 -3.713 1.016 -8.076 1.00 0.00 N ATOM 0 H ASN A 24 -3.027 -2.267 -4.256 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.264 -0.432 -4.917 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.062 0.324 -5.735 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.788 -1.230 -6.497 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.133 1.390 -8.927 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.871 1.444 -7.692 1.00 0.00 H new ATOM 367 N ALA A 25 -6.454 -2.627 -5.434 1.00 0.00 N ATOM 368 CA ALA A 25 -7.231 -3.738 -5.973 1.00 0.00 C ATOM 369 C ALA A 25 -7.319 -3.678 -7.497 1.00 0.00 C ATOM 370 O ALA A 25 -7.530 -4.698 -8.154 1.00 0.00 O ATOM 371 CB ALA A 25 -8.624 -3.745 -5.362 1.00 0.00 C ATOM 0 H ALA A 25 -6.926 -2.099 -4.700 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.719 -4.663 -5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.196 -4.578 -5.771 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.546 -3.854 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.129 -2.808 -5.597 1.00 0.00 H new ATOM 377 N LYS A 26 -7.155 -2.482 -8.054 1.00 0.00 N ATOM 378 CA LYS A 26 -7.222 -2.298 -9.502 1.00 0.00 C ATOM 379 C LYS A 26 -5.857 -2.493 -10.171 1.00 0.00 C ATOM 380 O LYS A 26 -5.746 -2.380 -11.391 1.00 0.00 O ATOM 381 CB LYS A 26 -7.763 -0.904 -9.829 1.00 0.00 C ATOM 382 CG LYS A 26 -8.911 -0.914 -10.826 1.00 0.00 C ATOM 383 CD LYS A 26 -8.405 -0.894 -12.261 1.00 0.00 C ATOM 384 CE LYS A 26 -9.231 0.041 -13.130 1.00 0.00 C ATOM 385 NZ LYS A 26 -9.457 -0.521 -14.490 1.00 0.00 N ATOM 0 H LYS A 26 -6.975 -1.627 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.896 -3.058 -9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.098 -0.428 -8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.953 -0.293 -10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.524 -1.801 -10.668 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.552 -0.049 -10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.362 -0.579 -12.276 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.440 -1.902 -12.674 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.192 0.229 -12.650 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.723 1.002 -13.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.024 0.146 -15.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.541 -0.677 -14.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.964 -1.426 -14.412 1.00 0.00 H new ATOM 399 N ALA A 27 -4.818 -2.774 -9.382 1.00 0.00 N ATOM 400 CA ALA A 27 -3.480 -2.965 -9.947 1.00 0.00 C ATOM 401 C ALA A 27 -2.698 -4.088 -9.257 1.00 0.00 C ATOM 402 O ALA A 27 -1.575 -4.400 -9.655 1.00 0.00 O ATOM 403 CB ALA A 27 -2.696 -1.663 -9.881 1.00 0.00 C ATOM 0 H ALA A 27 -4.874 -2.873 -8.368 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.613 -3.265 -10.987 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.703 -1.815 -10.303 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.219 -0.894 -10.450 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.604 -1.346 -8.842 1.00 0.00 H new ATOM 409 N GLY A 28 -3.290 -4.706 -8.237 1.00 0.00 N ATOM 410 CA GLY A 28 -2.635 -5.791 -7.541 1.00 0.00 C ATOM 411 C GLY A 28 -1.399 -5.381 -6.753 1.00 0.00 C ATOM 412 O GLY A 28 -0.792 -6.212 -6.076 1.00 0.00 O ATOM 0 H GLY A 28 -4.217 -4.470 -7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.349 -6.252 -6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.351 -6.553 -8.267 1.00 0.00 H new ATOM 416 N LEU A 29 -1.021 -4.115 -6.840 1.00 0.00 N ATOM 417 CA LEU A 29 0.155 -3.619 -6.128 1.00 0.00 C ATOM 418 C LEU A 29 -0.228 -2.525 -5.133 1.00 0.00 C ATOM 419 O LEU A 29 -1.367 -2.063 -5.115 1.00 0.00 O ATOM 420 CB LEU A 29 1.186 -3.083 -7.125 1.00 0.00 C ATOM 421 CG LEU A 29 2.490 -3.883 -7.201 1.00 0.00 C ATOM 422 CD1 LEU A 29 2.591 -4.618 -8.529 1.00 0.00 C ATOM 423 CD2 LEU A 29 3.691 -2.968 -7.006 1.00 0.00 C ATOM 0 H LEU A 29 -1.508 -3.411 -7.394 1.00 0.00 H new ATOM 0 HA LEU A 29 0.591 -4.449 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.733 -3.060 -8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.424 -2.053 -6.860 1.00 0.00 H new ATOM 0 HG LEU A 29 2.485 -4.621 -6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.524 -5.180 -8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.750 -5.304 -8.630 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.571 -3.897 -9.346 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.608 -3.554 -7.063 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.698 -2.206 -7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.628 -2.488 -6.030 1.00 0.00 H new ATOM 435 N CYS A 30 0.731 -2.112 -4.308 1.00 0.00 N ATOM 436 CA CYS A 30 0.479 -1.070 -3.320 1.00 0.00 C ATOM 437 C CYS A 30 1.015 0.274 -3.787 1.00 0.00 C ATOM 438 O CYS A 30 1.619 0.385 -4.854 1.00 0.00 O ATOM 439 CB CYS A 30 1.103 -1.420 -1.971 1.00 0.00 C ATOM 440 SG CYS A 30 0.813 -3.136 -1.430 1.00 0.00 S ATOM 0 H CYS A 30 1.682 -2.480 -4.304 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.602 -1.001 -3.203 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.178 -1.246 -2.025 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.708 -0.742 -1.215 1.00 0.00 H new ATOM 445 N GLN A 31 0.787 1.294 -2.970 1.00 0.00 N ATOM 446 CA GLN A 31 1.244 2.643 -3.281 1.00 0.00 C ATOM 447 C GLN A 31 1.558 3.429 -2.013 1.00 0.00 C ATOM 448 O GLN A 31 0.818 3.364 -1.029 1.00 0.00 O ATOM 449 CB GLN A 31 0.191 3.385 -4.104 1.00 0.00 C ATOM 450 CG GLN A 31 0.765 4.506 -4.956 1.00 0.00 C ATOM 451 CD GLN A 31 1.577 3.988 -6.128 1.00 0.00 C ATOM 452 OE1 GLN A 31 2.464 3.151 -5.963 1.00 0.00 O ATOM 453 NE2 GLN A 31 1.275 4.485 -7.322 1.00 0.00 N ATOM 0 H GLN A 31 0.287 1.213 -2.085 1.00 0.00 H new ATOM 0 HA GLN A 31 2.161 2.556 -3.864 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.320 2.673 -4.752 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.559 3.799 -3.430 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.049 5.128 -5.329 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.395 5.144 -4.335 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.532 5.178 -7.413 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.786 4.174 -8.148 1.00 0.00 H new ATOM 462 N THR A 32 2.654 4.184 -2.049 1.00 0.00 N ATOM 463 CA THR A 32 3.061 5.011 -0.915 1.00 0.00 C ATOM 464 C THR A 32 2.323 6.352 -0.909 1.00 0.00 C ATOM 465 O THR A 32 2.866 7.370 -0.479 1.00 0.00 O ATOM 466 CB THR A 32 4.575 5.233 -0.940 1.00 0.00 C ATOM 467 OG1 THR A 32 5.039 5.675 0.323 1.00 0.00 O ATOM 468 CG2 THR A 32 5.028 6.243 -1.977 1.00 0.00 C ATOM 0 H THR A 32 3.278 4.240 -2.854 1.00 0.00 H new ATOM 0 HA THR A 32 2.796 4.482 0.001 1.00 0.00 H new ATOM 0 HB THR A 32 4.998 4.263 -1.201 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.510 6.447 0.614 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.112 6.347 -1.935 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.735 5.902 -2.970 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.563 7.207 -1.773 1.00 0.00 H new ATOM 476 N PHE A 33 1.089 6.343 -1.401 1.00 0.00 N ATOM 477 CA PHE A 33 0.264 7.549 -1.467 1.00 0.00 C ATOM 478 C PHE A 33 0.856 8.577 -2.429 1.00 0.00 C ATOM 479 O PHE A 33 2.042 8.534 -2.752 1.00 0.00 O ATOM 480 CB PHE A 33 0.100 8.176 -0.078 1.00 0.00 C ATOM 481 CG PHE A 33 -0.740 7.358 0.858 1.00 0.00 C ATOM 482 CD1 PHE A 33 -2.120 7.486 0.864 1.00 0.00 C ATOM 483 CD2 PHE A 33 -0.152 6.454 1.728 1.00 0.00 C ATOM 484 CE1 PHE A 33 -2.896 6.730 1.721 1.00 0.00 C ATOM 485 CE2 PHE A 33 -0.923 5.695 2.587 1.00 0.00 C ATOM 486 CZ PHE A 33 -2.297 5.834 2.584 1.00 0.00 C ATOM 0 H PHE A 33 0.632 5.506 -1.764 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.716 7.250 -1.840 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.086 8.320 0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.349 9.164 -0.186 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.594 8.185 0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.922 6.341 1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.970 6.840 1.716 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.452 4.994 3.260 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.902 5.243 3.256 1.00 0.00 H new ATOM 496 N ALA A 34 0.013 9.497 -2.884 1.00 0.00 N ATOM 497 CA ALA A 34 0.433 10.542 -3.810 1.00 0.00 C ATOM 498 C ALA A 34 -0.634 11.629 -3.914 1.00 0.00 C ATOM 499 O ALA A 34 -1.732 11.486 -3.368 1.00 0.00 O ATOM 500 CB ALA A 34 0.722 9.951 -5.181 1.00 0.00 C ATOM 0 H ALA A 34 -0.972 9.540 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 34 1.348 10.994 -3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.034 10.744 -5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.517 9.210 -5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.178 9.474 -5.569 1.00 0.00 H new ATOM 506 N TYR A 35 -0.313 12.720 -4.613 1.00 0.00 N ATOM 507 CA TYR A 35 -1.262 13.823 -4.770 1.00 0.00 C ATOM 508 C TYR A 35 -1.946 14.133 -3.453 1.00 0.00 C ATOM 509 O TYR A 35 -1.514 13.696 -2.387 1.00 0.00 O ATOM 510 CB TYR A 35 -2.306 13.473 -5.834 1.00 0.00 C ATOM 511 CG TYR A 35 -2.422 14.508 -6.931 1.00 0.00 C ATOM 512 CD1 TYR A 35 -2.399 15.869 -6.639 1.00 0.00 C ATOM 513 CD2 TYR A 35 -2.548 14.126 -8.260 1.00 0.00 C ATOM 514 CE1 TYR A 35 -2.499 16.813 -7.643 1.00 0.00 C ATOM 515 CE2 TYR A 35 -2.648 15.066 -9.267 1.00 0.00 C ATOM 516 CZ TYR A 35 -2.624 16.408 -8.953 1.00 0.00 C ATOM 517 OH TYR A 35 -2.724 17.346 -9.954 1.00 0.00 O ATOM 0 H TYR A 35 0.586 12.862 -5.074 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.711 14.707 -5.090 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.051 12.511 -6.279 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.277 13.355 -5.353 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.302 16.192 -5.613 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.568 13.076 -8.511 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.479 17.865 -7.401 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.745 14.751 -10.296 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.805 16.893 -10.819 1.00 0.00 H new ATOM 527 N GLY A 36 -3.012 14.891 -3.541 1.00 0.00 N ATOM 528 CA GLY A 36 -3.766 15.261 -2.359 1.00 0.00 C ATOM 529 C GLY A 36 -4.564 14.100 -1.780 1.00 0.00 C ATOM 530 O GLY A 36 -5.540 14.319 -1.063 1.00 0.00 O ATOM 0 H GLY A 36 -3.380 15.265 -4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.081 15.639 -1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.447 16.075 -2.608 1.00 0.00 H new ATOM 534 N ALA A 37 -4.160 12.862 -2.086 1.00 0.00 N ATOM 535 CA ALA A 37 -4.863 11.690 -1.576 1.00 0.00 C ATOM 536 C ALA A 37 -4.736 11.595 -0.062 1.00 0.00 C ATOM 537 O ALA A 37 -3.640 11.696 0.489 1.00 0.00 O ATOM 538 CB ALA A 37 -4.335 10.421 -2.231 1.00 0.00 C ATOM 0 H ALA A 37 -3.357 12.651 -2.679 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.919 11.797 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.872 9.558 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.483 10.480 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.272 10.316 -2.016 1.00 0.00 H new ATOM 544 N CYS A 38 -5.866 11.396 0.605 1.00 0.00 N ATOM 545 CA CYS A 38 -5.889 11.287 2.058 1.00 0.00 C ATOM 546 C CYS A 38 -5.569 9.864 2.509 1.00 0.00 C ATOM 547 O CYS A 38 -5.809 8.901 1.781 1.00 0.00 O ATOM 548 CB CYS A 38 -7.257 11.704 2.596 1.00 0.00 C ATOM 549 SG CYS A 38 -7.328 13.414 3.226 1.00 0.00 S ATOM 0 H CYS A 38 -6.780 11.307 0.162 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.125 11.954 2.457 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.996 11.591 1.803 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.542 11.022 3.397 1.00 0.00 H new ATOM 554 N ALA A 39 -5.038 9.740 3.721 1.00 0.00 N ATOM 555 CA ALA A 39 -4.695 8.435 4.276 1.00 0.00 C ATOM 556 C ALA A 39 -5.952 7.628 4.590 1.00 0.00 C ATOM 557 O ALA A 39 -6.890 8.137 5.204 1.00 0.00 O ATOM 558 CB ALA A 39 -3.841 8.602 5.525 1.00 0.00 C ATOM 0 H ALA A 39 -4.836 10.527 4.338 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.120 7.886 3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.592 7.621 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.924 9.133 5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.395 9.172 6.271 1.00 0.00 H new ATOM 564 N ALA A 40 -5.964 6.368 4.165 1.00 0.00 N ATOM 565 CA ALA A 40 -7.106 5.492 4.401 1.00 0.00 C ATOM 566 C ALA A 40 -7.076 4.914 5.812 1.00 0.00 C ATOM 567 O ALA A 40 -6.008 4.738 6.399 1.00 0.00 O ATOM 568 CB ALA A 40 -7.134 4.372 3.372 1.00 0.00 C ATOM 0 H ALA A 40 -5.196 5.931 3.656 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.013 6.087 4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.992 3.726 3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.214 4.798 2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.217 3.788 3.445 1.00 0.00 H new ATOM 574 N LYS A 41 -8.255 4.622 6.352 1.00 0.00 N ATOM 575 CA LYS A 41 -8.364 4.064 7.696 1.00 0.00 C ATOM 576 C LYS A 41 -7.704 2.687 7.772 1.00 0.00 C ATOM 577 O LYS A 41 -6.711 2.501 8.474 1.00 0.00 O ATOM 578 CB LYS A 41 -9.833 3.964 8.116 1.00 0.00 C ATOM 579 CG LYS A 41 -10.126 4.599 9.466 1.00 0.00 C ATOM 580 CD LYS A 41 -11.533 5.174 9.520 1.00 0.00 C ATOM 581 CE LYS A 41 -12.277 4.714 10.764 1.00 0.00 C ATOM 582 NZ LYS A 41 -13.445 5.586 11.069 1.00 0.00 N ATOM 0 H LYS A 41 -9.148 4.762 5.880 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.844 4.734 8.381 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.452 4.442 7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.122 2.914 8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.006 3.854 10.253 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.401 5.389 9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.483 6.263 9.507 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.086 4.870 8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.617 3.688 10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.595 4.711 11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.924 5.238 11.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.119 6.561 11.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.109 5.569 10.269 1.00 0.00 H new ATOM 596 N ARG A 42 -8.272 1.724 7.050 1.00 0.00 N ATOM 597 CA ARG A 42 -7.751 0.363 7.039 1.00 0.00 C ATOM 598 C ARG A 42 -6.635 0.201 6.011 1.00 0.00 C ATOM 599 O ARG A 42 -5.641 -0.480 6.261 1.00 0.00 O ATOM 600 CB ARG A 42 -8.870 -0.637 6.732 1.00 0.00 C ATOM 601 CG ARG A 42 -10.051 -0.557 7.685 1.00 0.00 C ATOM 602 CD ARG A 42 -9.670 -1.005 9.087 1.00 0.00 C ATOM 603 NE ARG A 42 -9.557 0.121 10.013 1.00 0.00 N ATOM 604 CZ ARG A 42 -10.600 0.709 10.597 1.00 0.00 C ATOM 605 NH1 ARG A 42 -11.834 0.288 10.344 1.00 0.00 N ATOM 606 NH2 ARG A 42 -10.409 1.720 11.434 1.00 0.00 N ATOM 0 H ARG A 42 -9.095 1.863 6.464 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.343 0.163 8.030 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.225 -0.468 5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.460 -1.646 6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.424 0.467 7.718 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.864 -1.180 7.311 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.418 -1.706 9.459 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.721 -1.540 9.051 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.625 0.477 10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.986 -0.489 9.700 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.630 0.741 10.793 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.463 2.048 11.631 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.208 2.170 11.881 1.00 0.00 H new ATOM 620 N ASN A 43 -6.833 0.785 4.834 1.00 0.00 N ATOM 621 CA ASN A 43 -5.871 0.670 3.752 1.00 0.00 C ATOM 622 C ASN A 43 -4.656 1.550 4.025 1.00 0.00 C ATOM 623 O ASN A 43 -4.443 2.566 3.362 1.00 0.00 O ATOM 624 CB ASN A 43 -6.542 1.096 2.447 1.00 0.00 C ATOM 625 CG ASN A 43 -6.314 0.089 1.356 1.00 0.00 C ATOM 626 OD1 ASN A 43 -5.680 0.356 0.334 1.00 0.00 O ATOM 627 ND2 ASN A 43 -6.873 -1.082 1.582 1.00 0.00 N ATOM 0 H ASN A 43 -7.656 1.344 4.608 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.534 -0.364 3.675 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.612 1.220 2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.152 2.065 2.136 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.793 -1.827 0.890 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.386 -1.243 2.449 1.00 0.00 H new ATOM 634 N ASN A 44 -3.870 1.157 5.019 1.00 0.00 N ATOM 635 CA ASN A 44 -2.680 1.910 5.399 1.00 0.00 C ATOM 636 C ASN A 44 -1.667 1.020 6.116 1.00 0.00 C ATOM 637 O ASN A 44 -1.857 0.666 7.279 1.00 0.00 O ATOM 638 CB ASN A 44 -3.074 3.080 6.304 1.00 0.00 C ATOM 639 CG ASN A 44 -3.744 2.621 7.585 1.00 0.00 C ATOM 640 OD1 ASN A 44 -4.152 1.466 7.707 1.00 0.00 O ATOM 641 ND2 ASN A 44 -3.859 3.526 8.551 1.00 0.00 N ATOM 0 H ASN A 44 -4.035 0.320 5.578 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.214 2.290 4.490 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.185 3.661 6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.748 3.744 5.762 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.299 3.274 9.436 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.507 4.472 8.408 1.00 0.00 H new ATOM 648 N PHE A 45 -0.586 0.664 5.423 1.00 0.00 N ATOM 649 CA PHE A 45 0.449 -0.177 6.006 1.00 0.00 C ATOM 650 C PHE A 45 1.713 0.632 6.270 1.00 0.00 C ATOM 651 O PHE A 45 2.065 1.523 5.496 1.00 0.00 O ATOM 652 CB PHE A 45 0.754 -1.349 5.076 1.00 0.00 C ATOM 653 CG PHE A 45 -0.369 -2.339 5.004 1.00 0.00 C ATOM 654 CD1 PHE A 45 -1.425 -2.140 4.131 1.00 0.00 C ATOM 655 CD2 PHE A 45 -0.381 -3.457 5.825 1.00 0.00 C ATOM 656 CE1 PHE A 45 -2.473 -3.038 4.075 1.00 0.00 C ATOM 657 CE2 PHE A 45 -1.426 -4.361 5.771 1.00 0.00 C ATOM 658 CZ PHE A 45 -2.475 -4.151 4.895 1.00 0.00 C ATOM 0 H PHE A 45 -0.408 0.946 4.459 1.00 0.00 H new ATOM 0 HA PHE A 45 0.087 -0.565 6.958 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.962 -0.969 4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.657 -1.854 5.419 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.429 -1.273 3.487 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.434 -3.623 6.514 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.291 -2.871 3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.423 -5.230 6.412 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.293 -4.854 4.852 1.00 0.00 H new ATOM 668 N LYS A 46 2.387 0.325 7.372 1.00 0.00 N ATOM 669 CA LYS A 46 3.610 1.029 7.741 1.00 0.00 C ATOM 670 C LYS A 46 4.710 0.812 6.705 1.00 0.00 C ATOM 671 O LYS A 46 5.695 1.550 6.672 1.00 0.00 O ATOM 672 CB LYS A 46 4.091 0.565 9.117 1.00 0.00 C ATOM 673 CG LYS A 46 3.231 1.077 10.261 1.00 0.00 C ATOM 674 CD LYS A 46 3.827 0.717 11.612 1.00 0.00 C ATOM 675 CE LYS A 46 3.070 1.386 12.748 1.00 0.00 C ATOM 676 NZ LYS A 46 1.848 0.625 13.127 1.00 0.00 N ATOM 0 H LYS A 46 2.108 -0.406 8.026 1.00 0.00 H new ATOM 0 HA LYS A 46 3.384 2.095 7.778 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.103 -0.525 9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.118 0.899 9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.129 2.159 10.184 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.229 0.656 10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.804 -0.365 11.745 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.874 1.020 11.642 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.724 1.477 13.615 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.790 2.397 12.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.361 1.115 13.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.212 0.559 12.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.116 -0.332 13.435 1.00 0.00 H new ATOM 690 N SER A 47 4.540 -0.200 5.860 1.00 0.00 N ATOM 691 CA SER A 47 5.524 -0.503 4.829 1.00 0.00 C ATOM 692 C SER A 47 4.884 -1.225 3.655 1.00 0.00 C ATOM 693 O SER A 47 3.941 -1.998 3.826 1.00 0.00 O ATOM 694 CB SER A 47 6.653 -1.362 5.398 1.00 0.00 C ATOM 695 OG SER A 47 6.297 -1.910 6.656 1.00 0.00 O ATOM 0 H SER A 47 3.732 -0.822 5.869 1.00 0.00 H new ATOM 0 HA SER A 47 5.933 0.444 4.478 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.888 -2.167 4.701 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.555 -0.759 5.503 1.00 0.00 H new ATOM 0 HG SER A 47 7.036 -2.456 6.996 1.00 0.00 H new ATOM 701 N ALA A 48 5.413 -0.986 2.462 1.00 0.00 N ATOM 702 CA ALA A 48 4.893 -1.633 1.266 1.00 0.00 C ATOM 703 C ALA A 48 5.001 -3.138 1.408 1.00 0.00 C ATOM 704 O ALA A 48 4.106 -3.878 1.000 1.00 0.00 O ATOM 705 CB ALA A 48 5.625 -1.151 0.021 1.00 0.00 C ATOM 0 H ALA A 48 6.196 -0.353 2.298 1.00 0.00 H new ATOM 0 HA ALA A 48 3.843 -1.365 1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.216 -1.650 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.497 -0.073 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.686 -1.384 0.110 1.00 0.00 H new ATOM 711 N GLU A 49 6.089 -3.588 2.025 1.00 0.00 N ATOM 712 CA GLU A 49 6.281 -5.005 2.257 1.00 0.00 C ATOM 713 C GLU A 49 5.139 -5.503 3.123 1.00 0.00 C ATOM 714 O GLU A 49 4.605 -6.590 2.910 1.00 0.00 O ATOM 715 CB GLU A 49 7.626 -5.265 2.940 1.00 0.00 C ATOM 716 CG GLU A 49 7.927 -6.740 3.147 1.00 0.00 C ATOM 717 CD GLU A 49 9.344 -6.982 3.631 1.00 0.00 C ATOM 718 OE1 GLU A 49 9.868 -6.134 4.383 1.00 0.00 O ATOM 719 OE2 GLU A 49 9.929 -8.020 3.256 1.00 0.00 O ATOM 0 H GLU A 49 6.843 -2.993 2.369 1.00 0.00 H new ATOM 0 HA GLU A 49 6.288 -5.538 1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.421 -4.821 2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.637 -4.761 3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.224 -7.153 3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.770 -7.274 2.210 1.00 0.00 H new ATOM 726 N ASP A 50 4.748 -4.667 4.084 1.00 0.00 N ATOM 727 CA ASP A 50 3.643 -4.990 4.973 1.00 0.00 C ATOM 728 C ASP A 50 2.341 -5.083 4.183 1.00 0.00 C ATOM 729 O ASP A 50 1.566 -6.023 4.365 1.00 0.00 O ATOM 730 CB ASP A 50 3.522 -3.941 6.079 1.00 0.00 C ATOM 731 CG ASP A 50 3.371 -4.566 7.453 1.00 0.00 C ATOM 732 OD1 ASP A 50 3.955 -5.646 7.680 1.00 0.00 O ATOM 733 OD2 ASP A 50 2.671 -3.975 8.301 1.00 0.00 O ATOM 0 H ASP A 50 5.183 -3.762 4.263 1.00 0.00 H new ATOM 0 HA ASP A 50 3.840 -5.957 5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.405 -3.302 6.068 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.663 -3.301 5.877 1.00 0.00 H new ATOM 738 N CYS A 51 2.102 -4.113 3.292 1.00 0.00 N ATOM 739 CA CYS A 51 0.892 -4.121 2.478 1.00 0.00 C ATOM 740 C CYS A 51 0.858 -5.378 1.613 1.00 0.00 C ATOM 741 O CYS A 51 -0.099 -6.151 1.657 1.00 0.00 O ATOM 742 CB CYS A 51 0.847 -2.865 1.596 1.00 0.00 C ATOM 743 SG CYS A 51 -0.353 -2.935 0.223 1.00 0.00 S ATOM 0 H CYS A 51 2.725 -3.324 3.121 1.00 0.00 H new ATOM 0 HA CYS A 51 0.020 -4.121 3.132 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.610 -2.006 2.224 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.841 -2.693 1.183 1.00 0.00 H new ATOM 748 N LEU A 52 1.920 -5.584 0.841 1.00 0.00 N ATOM 749 CA LEU A 52 2.024 -6.751 -0.029 1.00 0.00 C ATOM 750 C LEU A 52 1.877 -8.049 0.761 1.00 0.00 C ATOM 751 O LEU A 52 1.266 -9.003 0.291 1.00 0.00 O ATOM 752 CB LEU A 52 3.365 -6.746 -0.766 1.00 0.00 C ATOM 753 CG LEU A 52 3.590 -5.554 -1.696 1.00 0.00 C ATOM 754 CD1 LEU A 52 4.963 -5.637 -2.340 1.00 0.00 C ATOM 755 CD2 LEU A 52 2.506 -5.494 -2.762 1.00 0.00 C ATOM 0 H LEU A 52 2.723 -4.956 0.800 1.00 0.00 H new ATOM 0 HA LEU A 52 1.211 -6.697 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.167 -6.768 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.444 -7.663 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 52 3.539 -4.641 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.108 -4.781 -2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.729 -5.632 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.038 -6.558 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.684 -4.639 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.525 -6.410 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.532 -5.390 -2.285 1.00 0.00 H new ATOM 767 N ARG A 53 2.438 -8.084 1.963 1.00 0.00 N ATOM 768 CA ARG A 53 2.359 -9.277 2.796 1.00 0.00 C ATOM 769 C ARG A 53 0.908 -9.628 3.113 1.00 0.00 C ATOM 770 O ARG A 53 0.466 -10.753 2.881 1.00 0.00 O ATOM 771 CB ARG A 53 3.139 -9.075 4.097 1.00 0.00 C ATOM 772 CG ARG A 53 3.681 -10.365 4.688 1.00 0.00 C ATOM 773 CD ARG A 53 5.000 -10.132 5.406 1.00 0.00 C ATOM 774 NE ARG A 53 4.800 -9.655 6.774 1.00 0.00 N ATOM 775 CZ ARG A 53 5.530 -8.700 7.349 1.00 0.00 C ATOM 776 NH1 ARG A 53 6.525 -8.119 6.689 1.00 0.00 N ATOM 777 NH2 ARG A 53 5.267 -8.328 8.594 1.00 0.00 N ATOM 0 H ARG A 53 2.949 -7.306 2.381 1.00 0.00 H new ATOM 0 HA ARG A 53 2.802 -10.103 2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.969 -8.394 3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.490 -8.594 4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.954 -10.782 5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.821 -11.100 3.895 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.572 -11.060 5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.592 -9.404 4.851 1.00 0.00 H new ATOM 0 HE ARG A 53 4.054 -10.081 7.323 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.737 -8.403 5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.078 -7.389 7.139 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.507 -8.773 9.109 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.824 -7.597 9.036 1.00 0.00 H new ATOM 791 N THR A 54 0.176 -8.658 3.650 1.00 0.00 N ATOM 792 CA THR A 54 -1.222 -8.862 4.010 1.00 0.00 C ATOM 793 C THR A 54 -2.140 -8.778 2.793 1.00 0.00 C ATOM 794 O THR A 54 -2.915 -9.696 2.523 1.00 0.00 O ATOM 795 CB THR A 54 -1.654 -7.828 5.050 1.00 0.00 C ATOM 796 OG1 THR A 54 -0.720 -7.769 6.115 1.00 0.00 O ATOM 797 CG2 THR A 54 -3.015 -8.113 5.648 1.00 0.00 C ATOM 0 H THR A 54 0.529 -7.721 3.846 1.00 0.00 H new ATOM 0 HA THR A 54 -1.308 -9.865 4.429 1.00 0.00 H new ATOM 0 HB THR A 54 -1.703 -6.880 4.513 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.078 -7.279 5.824 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.260 -7.342 6.378 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.766 -8.117 4.858 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.000 -9.086 6.139 1.00 0.00 H new ATOM 805 N CYS A 55 -2.073 -7.657 2.082 1.00 0.00 N ATOM 806 CA CYS A 55 -2.918 -7.445 0.914 1.00 0.00 C ATOM 807 C CYS A 55 -2.427 -8.221 -0.303 1.00 0.00 C ATOM 808 O CYS A 55 -3.226 -8.790 -1.045 1.00 0.00 O ATOM 809 CB CYS A 55 -3.001 -5.955 0.586 1.00 0.00 C ATOM 810 SG CYS A 55 -3.740 -4.958 1.915 1.00 0.00 S ATOM 0 H CYS A 55 -1.443 -6.883 2.294 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.911 -7.821 1.162 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.999 -5.581 0.377 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.587 -5.824 -0.324 1.00 0.00 H new ATOM 815 N GLY A 56 -1.116 -8.238 -0.511 1.00 0.00 N ATOM 816 CA GLY A 56 -0.558 -8.950 -1.648 1.00 0.00 C ATOM 817 C GLY A 56 -0.369 -10.428 -1.360 1.00 0.00 C ATOM 818 O GLY A 56 -1.084 -11.001 -0.538 1.00 0.00 O ATOM 0 H GLY A 56 -0.430 -7.774 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.216 -8.830 -2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.401 -8.508 -1.917 1.00 0.00 H new ATOM 822 N GLY A 57 0.599 -11.045 -2.030 1.00 0.00 N ATOM 823 CA GLY A 57 0.860 -12.460 -1.823 1.00 0.00 C ATOM 824 C GLY A 57 1.118 -13.198 -3.121 1.00 0.00 C ATOM 825 O GLY A 57 2.141 -13.864 -3.272 1.00 0.00 O ATOM 0 H GLY A 57 1.207 -10.592 -2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.722 -12.575 -1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.009 -12.913 -1.314 1.00 0.00 H new ATOM 829 N ALA A 58 0.183 -13.081 -4.058 1.00 0.00 N ATOM 830 CA ALA A 58 0.309 -13.743 -5.350 1.00 0.00 C ATOM 831 C ALA A 58 1.304 -13.013 -6.246 1.00 0.00 C ATOM 832 O ALA A 58 1.757 -11.918 -5.855 1.00 0.00 O ATOM 833 CB ALA A 58 -1.049 -13.835 -6.030 1.00 0.00 C ATOM 834 OXT ALA A 58 1.622 -13.544 -7.331 1.00 0.00 O ATOM 0 H ALA A 58 -0.670 -12.534 -3.946 1.00 0.00 H new ATOM 0 HA ALA A 58 0.686 -14.751 -5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.940 -14.332 -6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.732 -14.407 -5.402 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.449 -12.832 -6.181 1.00 0.00 H new TER 840 ALA A 58