USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 373 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 ASP N :NH3+ -110:sc= 0.197 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.2) USER MOD Single : A 10 SER OG : rot 180:sc= -1.33 USER MOD Single : A 12 THR OG1 : rot -38:sc= 0.0718 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00383 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -80:sc= 0.979 USER MOD Single : A 25 GLN : amide:sc= -0.851 K(o=-0.85,f=-0.035) USER MOD Single : A 26 GLN : amide:sc= -1.91! K(o=-1.9!,f=-0.34) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.193 USER MOD Single : A 40 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.676 K(o=-0.68,f=-2.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 139:sc= 0.977 (180deg=-0.116) USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 0.715 (180deg=0.48) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 13.074 -8.534 -12.303 1.00 0.00 N ATOM 2 CA ASP A 1 13.776 -7.330 -11.881 1.00 0.00 C ATOM 3 C ASP A 1 14.679 -7.689 -10.720 1.00 0.00 C ATOM 4 O ASP A 1 14.466 -8.729 -10.080 1.00 0.00 O ATOM 5 CB ASP A 1 12.776 -6.245 -11.467 1.00 0.00 C ATOM 6 CG ASP A 1 13.438 -4.925 -11.178 1.00 0.00 C ATOM 7 OD1 ASP A 1 13.680 -4.151 -12.120 1.00 0.00 O ATOM 8 OD2 ASP A 1 13.712 -4.623 -10.006 1.00 0.00 O ATOM 0 H1 ASP A 1 13.431 -8.837 -13.232 1.00 0.00 H new ATOM 0 H2 ASP A 1 13.233 -9.291 -11.607 1.00 0.00 H new ATOM 0 H3 ASP A 1 12.055 -8.336 -12.372 1.00 0.00 H new ATOM 0 HA ASP A 1 14.370 -6.937 -12.706 1.00 0.00 H new ATOM 0 HB2 ASP A 1 12.041 -6.112 -12.261 1.00 0.00 H new ATOM 0 HB3 ASP A 1 12.233 -6.576 -10.582 1.00 0.00 H new ATOM 15 N GLY A 2 15.690 -6.872 -10.456 1.00 0.00 N ATOM 16 CA GLY A 2 16.597 -7.142 -9.376 1.00 0.00 C ATOM 17 C GLY A 2 15.915 -7.062 -8.033 1.00 0.00 C ATOM 18 O GLY A 2 16.161 -7.891 -7.149 1.00 0.00 O ATOM 0 H GLY A 2 15.893 -6.021 -10.981 1.00 0.00 H new ATOM 0 HA2 GLY A 2 17.029 -8.134 -9.505 1.00 0.00 H new ATOM 0 HA3 GLY A 2 17.421 -6.429 -9.407 1.00 0.00 H new ATOM 22 N VAL A 3 15.014 -6.115 -7.897 1.00 0.00 N ATOM 23 CA VAL A 3 14.330 -5.903 -6.648 1.00 0.00 C ATOM 24 C VAL A 3 12.939 -6.508 -6.696 1.00 0.00 C ATOM 25 O VAL A 3 12.182 -6.288 -7.642 1.00 0.00 O ATOM 26 CB VAL A 3 14.235 -4.394 -6.295 1.00 0.00 C ATOM 27 CG1 VAL A 3 13.520 -4.188 -4.968 1.00 0.00 C ATOM 28 CG2 VAL A 3 15.614 -3.779 -6.234 1.00 0.00 C ATOM 0 H VAL A 3 14.739 -5.477 -8.644 1.00 0.00 H new ATOM 0 HA VAL A 3 14.912 -6.396 -5.870 1.00 0.00 H new ATOM 0 HB VAL A 3 13.659 -3.903 -7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 3 13.467 -3.122 -4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 3 12.511 -4.596 -5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 3 14.069 -4.698 -4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 3 15.530 -2.721 -5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 3 16.205 -4.285 -5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 3 16.103 -3.887 -7.202 1.00 0.00 H new ATOM 38 N LYS A 4 12.616 -7.272 -5.704 1.00 0.00 N ATOM 39 CA LYS A 4 11.315 -7.871 -5.597 1.00 0.00 C ATOM 40 C LYS A 4 10.603 -7.173 -4.471 1.00 0.00 C ATOM 41 O LYS A 4 11.248 -6.771 -3.490 1.00 0.00 O ATOM 42 CB LYS A 4 11.388 -9.391 -5.314 1.00 0.00 C ATOM 43 CG LYS A 4 12.149 -10.233 -6.352 1.00 0.00 C ATOM 44 CD LYS A 4 13.661 -10.055 -6.246 1.00 0.00 C ATOM 45 CE LYS A 4 14.406 -10.832 -7.312 1.00 0.00 C ATOM 46 NZ LYS A 4 15.870 -10.669 -7.174 1.00 0.00 N ATOM 0 H LYS A 4 13.248 -7.503 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 4 10.785 -7.760 -6.543 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.858 -9.537 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.371 -9.776 -5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.899 -11.285 -6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.822 -9.954 -7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 4 13.907 -8.997 -6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.995 -10.381 -5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.148 -11.889 -7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.092 -10.492 -8.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.348 -11.128 -7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 16.107 -9.656 -7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 16.186 -11.108 -6.286 1.00 0.00 H new ATOM 60 N LEU A 5 9.319 -6.993 -4.591 1.00 0.00 N ATOM 61 CA LEU A 5 8.582 -6.295 -3.575 1.00 0.00 C ATOM 62 C LEU A 5 7.461 -7.164 -3.082 1.00 0.00 C ATOM 63 O LEU A 5 6.964 -8.025 -3.811 1.00 0.00 O ATOM 64 CB LEU A 5 8.018 -4.962 -4.100 1.00 0.00 C ATOM 65 CG LEU A 5 9.025 -4.007 -4.758 1.00 0.00 C ATOM 66 CD1 LEU A 5 8.318 -2.807 -5.364 1.00 0.00 C ATOM 67 CD2 LEU A 5 10.059 -3.547 -3.754 1.00 0.00 C ATOM 0 H LEU A 5 8.761 -7.319 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 5 9.264 -6.069 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.234 -5.184 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.545 -4.440 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 5 9.529 -4.551 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.053 -2.146 -5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.611 -3.146 -6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.783 -2.267 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.763 -2.871 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 5 9.564 -3.027 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 5 10.596 -4.411 -3.363 1.00 0.00 H new ATOM 79 N CYS A 6 7.094 -6.977 -1.861 1.00 0.00 N ATOM 80 CA CYS A 6 5.998 -7.712 -1.279 1.00 0.00 C ATOM 81 C CYS A 6 4.915 -6.728 -0.873 1.00 0.00 C ATOM 82 O CYS A 6 5.228 -5.598 -0.444 1.00 0.00 O ATOM 83 CB CYS A 6 6.479 -8.512 -0.069 1.00 0.00 C ATOM 84 SG CYS A 6 7.924 -9.580 -0.404 1.00 0.00 S ATOM 0 H CYS A 6 7.539 -6.312 -1.228 1.00 0.00 H new ATOM 0 HA CYS A 6 5.596 -8.416 -2.007 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.732 -7.819 0.734 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.659 -9.132 0.292 1.00 0.00 H new ATOM 89 N ASP A 7 3.667 -7.133 -1.024 1.00 0.00 N ATOM 90 CA ASP A 7 2.515 -6.291 -0.712 1.00 0.00 C ATOM 91 C ASP A 7 2.161 -6.377 0.748 1.00 0.00 C ATOM 92 O ASP A 7 1.690 -7.404 1.225 1.00 0.00 O ATOM 93 CB ASP A 7 1.284 -6.669 -1.558 1.00 0.00 C ATOM 94 CG ASP A 7 1.388 -6.256 -3.000 1.00 0.00 C ATOM 95 OD1 ASP A 7 1.126 -5.074 -3.305 1.00 0.00 O ATOM 96 OD2 ASP A 7 1.714 -7.104 -3.870 1.00 0.00 O ATOM 0 H ASP A 7 3.417 -8.060 -1.368 1.00 0.00 H new ATOM 0 HA ASP A 7 2.801 -5.267 -0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.138 -7.748 -1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.399 -6.207 -1.121 1.00 0.00 H new ATOM 101 N VAL A 8 2.401 -5.321 1.457 1.00 0.00 N ATOM 102 CA VAL A 8 2.097 -5.254 2.867 1.00 0.00 C ATOM 103 C VAL A 8 0.858 -4.383 3.057 1.00 0.00 C ATOM 104 O VAL A 8 0.877 -3.206 2.701 1.00 0.00 O ATOM 105 CB VAL A 8 3.285 -4.645 3.665 1.00 0.00 C ATOM 106 CG1 VAL A 8 2.987 -4.599 5.154 1.00 0.00 C ATOM 107 CG2 VAL A 8 4.563 -5.425 3.407 1.00 0.00 C ATOM 0 H VAL A 8 2.817 -4.469 1.079 1.00 0.00 H new ATOM 0 HA VAL A 8 1.918 -6.262 3.240 1.00 0.00 H new ATOM 0 HB VAL A 8 3.424 -3.621 3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.838 -4.168 5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.103 -3.986 5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.807 -5.610 5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.381 -4.982 3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.426 -6.461 3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.801 -5.393 2.344 1.00 0.00 H new ATOM 117 N PRO A 9 -0.246 -4.945 3.576 1.00 0.00 N ATOM 118 CA PRO A 9 -1.481 -4.190 3.777 1.00 0.00 C ATOM 119 C PRO A 9 -1.285 -3.046 4.773 1.00 0.00 C ATOM 120 O PRO A 9 -1.040 -3.272 5.967 1.00 0.00 O ATOM 121 CB PRO A 9 -2.478 -5.230 4.316 1.00 0.00 C ATOM 122 CG PRO A 9 -1.637 -6.352 4.830 1.00 0.00 C ATOM 123 CD PRO A 9 -0.379 -6.352 4.008 1.00 0.00 C ATOM 0 HA PRO A 9 -1.827 -3.717 2.858 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.097 -4.808 5.107 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.153 -5.572 3.531 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.410 -6.214 5.887 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.161 -7.303 4.738 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.482 -6.675 4.593 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.457 -7.027 3.156 1.00 0.00 H new ATOM 131 N SER A 10 -1.367 -1.836 4.277 1.00 0.00 N ATOM 132 CA SER A 10 -1.171 -0.666 5.082 1.00 0.00 C ATOM 133 C SER A 10 -2.350 -0.498 6.030 1.00 0.00 C ATOM 134 O SER A 10 -3.486 -0.246 5.600 1.00 0.00 O ATOM 135 CB SER A 10 -0.998 0.568 4.183 1.00 0.00 C ATOM 136 OG SER A 10 -0.734 1.732 4.936 1.00 0.00 O ATOM 0 H SER A 10 -1.573 -1.639 3.298 1.00 0.00 H new ATOM 0 HA SER A 10 -0.264 -0.777 5.677 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.181 0.395 3.482 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.901 0.715 3.590 1.00 0.00 H new ATOM 0 HG SER A 10 -0.628 2.496 4.331 1.00 0.00 H new ATOM 142 N GLY A 11 -2.079 -0.651 7.312 1.00 0.00 N ATOM 143 CA GLY A 11 -3.112 -0.563 8.314 1.00 0.00 C ATOM 144 C GLY A 11 -3.520 0.860 8.569 1.00 0.00 C ATOM 145 O GLY A 11 -4.617 1.130 9.059 1.00 0.00 O ATOM 0 H GLY A 11 -1.146 -0.838 7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.980 -1.138 7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.758 -1.012 9.242 1.00 0.00 H new ATOM 149 N THR A 12 -2.656 1.776 8.198 1.00 0.00 N ATOM 150 CA THR A 12 -2.916 3.173 8.382 1.00 0.00 C ATOM 151 C THR A 12 -3.889 3.677 7.304 1.00 0.00 C ATOM 152 O THR A 12 -4.414 4.794 7.387 1.00 0.00 O ATOM 153 CB THR A 12 -1.598 4.004 8.380 1.00 0.00 C ATOM 154 OG1 THR A 12 -1.844 5.313 8.882 1.00 0.00 O ATOM 155 CG2 THR A 12 -0.992 4.116 6.993 1.00 0.00 C ATOM 0 H THR A 12 -1.758 1.568 7.762 1.00 0.00 H new ATOM 0 HA THR A 12 -3.380 3.307 9.359 1.00 0.00 H new ATOM 0 HB THR A 12 -0.890 3.478 9.020 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.717 5.626 8.566 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.075 4.704 7.043 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.764 3.120 6.614 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.701 4.605 6.325 1.00 0.00 H new ATOM 163 N TRP A 13 -4.132 2.858 6.303 1.00 0.00 N ATOM 164 CA TRP A 13 -5.046 3.213 5.273 1.00 0.00 C ATOM 165 C TRP A 13 -6.313 2.404 5.442 1.00 0.00 C ATOM 166 O TRP A 13 -6.335 1.187 5.191 1.00 0.00 O ATOM 167 CB TRP A 13 -4.451 2.971 3.889 1.00 0.00 C ATOM 168 CG TRP A 13 -5.264 3.574 2.770 1.00 0.00 C ATOM 169 CD1 TRP A 13 -6.469 3.142 2.287 1.00 0.00 C ATOM 170 CD2 TRP A 13 -4.908 4.713 1.977 1.00 0.00 C ATOM 171 NE1 TRP A 13 -6.889 3.965 1.278 1.00 0.00 N ATOM 172 CE2 TRP A 13 -5.947 4.925 1.059 1.00 0.00 C ATOM 173 CE3 TRP A 13 -3.815 5.578 1.961 1.00 0.00 C ATOM 174 CZ2 TRP A 13 -5.927 5.962 0.140 1.00 0.00 C ATOM 175 CZ3 TRP A 13 -3.794 6.606 1.046 1.00 0.00 C ATOM 176 CH2 TRP A 13 -4.845 6.790 0.146 1.00 0.00 C ATOM 0 H TRP A 13 -3.700 1.941 6.193 1.00 0.00 H new ATOM 0 HA TRP A 13 -5.266 4.277 5.353 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -3.443 3.384 3.858 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.360 1.897 3.724 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.009 2.279 2.649 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -7.769 3.874 0.770 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.998 5.444 2.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.740 6.109 -0.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.951 7.281 1.024 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.800 7.606 -0.560 1.00 0.00 H new ATOM 187 N SER A 14 -7.332 3.050 5.881 1.00 0.00 N ATOM 188 CA SER A 14 -8.597 2.428 6.029 1.00 0.00 C ATOM 189 C SER A 14 -9.515 3.063 5.004 1.00 0.00 C ATOM 190 O SER A 14 -9.454 4.284 4.779 1.00 0.00 O ATOM 191 CB SER A 14 -9.119 2.620 7.461 1.00 0.00 C ATOM 192 OG SER A 14 -10.235 1.784 7.723 1.00 0.00 O ATOM 0 H SER A 14 -7.311 4.034 6.150 1.00 0.00 H new ATOM 0 HA SER A 14 -8.539 1.352 5.863 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.323 2.400 8.172 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.401 3.662 7.610 1.00 0.00 H new ATOM 0 HG SER A 14 -10.543 1.928 8.642 1.00 0.00 H new ATOM 198 N GLY A 15 -10.317 2.272 4.367 1.00 0.00 N ATOM 199 CA GLY A 15 -11.157 2.775 3.327 1.00 0.00 C ATOM 200 C GLY A 15 -10.646 2.360 1.980 1.00 0.00 C ATOM 201 O GLY A 15 -9.759 1.501 1.881 1.00 0.00 O ATOM 0 H GLY A 15 -10.409 1.273 4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.173 2.406 3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.202 3.863 3.384 1.00 0.00 H new ATOM 205 N HIS A 16 -11.169 2.961 0.960 1.00 0.00 N ATOM 206 CA HIS A 16 -10.804 2.642 -0.394 1.00 0.00 C ATOM 207 C HIS A 16 -9.482 3.328 -0.763 1.00 0.00 C ATOM 208 O HIS A 16 -9.202 4.441 -0.307 1.00 0.00 O ATOM 209 CB HIS A 16 -11.949 3.083 -1.337 1.00 0.00 C ATOM 210 CG HIS A 16 -11.718 2.826 -2.797 1.00 0.00 C ATOM 211 ND1 HIS A 16 -12.124 1.690 -3.455 1.00 0.00 N ATOM 212 CD2 HIS A 16 -11.108 3.596 -3.725 1.00 0.00 C ATOM 213 CE1 HIS A 16 -11.745 1.804 -4.733 1.00 0.00 C ATOM 214 NE2 HIS A 16 -11.126 2.945 -4.943 1.00 0.00 N ATOM 0 H HIS A 16 -11.871 3.697 1.039 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.655 1.567 -0.497 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.862 2.570 -1.036 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.121 4.150 -1.197 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.674 4.568 -3.543 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.924 1.057 -5.492 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.738 3.281 -5.825 1.00 0.00 H new ATOM 222 N CYS A 17 -8.659 2.646 -1.515 1.00 0.00 N ATOM 223 CA CYS A 17 -7.432 3.208 -2.030 1.00 0.00 C ATOM 224 C CYS A 17 -7.646 3.530 -3.492 1.00 0.00 C ATOM 225 O CYS A 17 -7.707 2.625 -4.325 1.00 0.00 O ATOM 226 CB CYS A 17 -6.274 2.209 -1.886 1.00 0.00 C ATOM 227 SG CYS A 17 -4.599 2.880 -2.243 1.00 0.00 S ATOM 0 H CYS A 17 -8.820 1.677 -1.791 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.174 4.106 -1.469 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.280 1.817 -0.869 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.459 1.367 -2.553 1.00 0.00 H new ATOM 232 N GLY A 18 -7.843 4.790 -3.793 1.00 0.00 N ATOM 233 CA GLY A 18 -8.045 5.186 -5.165 1.00 0.00 C ATOM 234 C GLY A 18 -6.945 6.090 -5.660 1.00 0.00 C ATOM 235 O GLY A 18 -6.939 6.501 -6.821 1.00 0.00 O ATOM 0 H GLY A 18 -7.868 5.552 -3.115 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.095 4.298 -5.795 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.003 5.697 -5.257 1.00 0.00 H new ATOM 239 N SER A 19 -6.010 6.406 -4.799 1.00 0.00 N ATOM 240 CA SER A 19 -4.914 7.260 -5.173 1.00 0.00 C ATOM 241 C SER A 19 -3.588 6.592 -4.818 1.00 0.00 C ATOM 242 O SER A 19 -3.195 6.541 -3.642 1.00 0.00 O ATOM 243 CB SER A 19 -5.045 8.616 -4.480 1.00 0.00 C ATOM 244 OG SER A 19 -6.329 9.186 -4.720 1.00 0.00 O ATOM 0 H SER A 19 -5.987 6.083 -3.832 1.00 0.00 H new ATOM 0 HA SER A 19 -4.938 7.424 -6.250 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.890 8.498 -3.408 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.269 9.291 -4.842 1.00 0.00 H new ATOM 0 HG SER A 19 -6.392 10.052 -4.266 1.00 0.00 H new ATOM 250 N SER A 20 -2.914 6.076 -5.824 1.00 0.00 N ATOM 251 CA SER A 20 -1.661 5.374 -5.656 1.00 0.00 C ATOM 252 C SER A 20 -0.571 6.297 -5.103 1.00 0.00 C ATOM 253 O SER A 20 0.262 5.882 -4.278 1.00 0.00 O ATOM 254 CB SER A 20 -1.264 4.761 -6.997 1.00 0.00 C ATOM 255 OG SER A 20 -1.387 5.719 -8.048 1.00 0.00 O ATOM 0 H SER A 20 -3.226 6.134 -6.794 1.00 0.00 H new ATOM 0 HA SER A 20 -1.783 4.578 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.237 4.399 -6.947 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.896 3.898 -7.209 1.00 0.00 H new ATOM 0 HG SER A 20 -1.126 5.307 -8.898 1.00 0.00 H new ATOM 261 N SER A 21 -0.615 7.550 -5.520 1.00 0.00 N ATOM 262 CA SER A 21 0.336 8.548 -5.085 1.00 0.00 C ATOM 263 C SER A 21 0.174 8.833 -3.582 1.00 0.00 C ATOM 264 O SER A 21 1.149 9.010 -2.874 1.00 0.00 O ATOM 265 CB SER A 21 0.123 9.811 -5.901 1.00 0.00 C ATOM 266 OG SER A 21 0.000 9.478 -7.283 1.00 0.00 O ATOM 0 H SER A 21 -1.316 7.902 -6.173 1.00 0.00 H new ATOM 0 HA SER A 21 1.351 8.181 -5.241 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.774 10.328 -5.561 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.959 10.495 -5.755 1.00 0.00 H new ATOM 0 HG SER A 21 -0.139 10.295 -7.805 1.00 0.00 H new ATOM 272 N LYS A 22 -1.061 8.818 -3.097 1.00 0.00 N ATOM 273 CA LYS A 22 -1.304 9.066 -1.681 1.00 0.00 C ATOM 274 C LYS A 22 -1.038 7.832 -0.852 1.00 0.00 C ATOM 275 O LYS A 22 -0.582 7.937 0.283 1.00 0.00 O ATOM 276 CB LYS A 22 -2.696 9.637 -1.421 1.00 0.00 C ATOM 277 CG LYS A 22 -2.844 11.057 -1.920 1.00 0.00 C ATOM 278 CD LYS A 22 -4.216 11.628 -1.649 1.00 0.00 C ATOM 279 CE LYS A 22 -4.274 13.091 -2.066 1.00 0.00 C ATOM 280 NZ LYS A 22 -5.627 13.663 -1.926 1.00 0.00 N ATOM 0 H LYS A 22 -1.898 8.640 -3.652 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.594 9.831 -1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.440 9.006 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.903 9.608 -0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.092 11.686 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.649 11.084 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.968 11.058 -2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.452 11.536 -0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.575 13.667 -1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.949 13.184 -3.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.615 14.660 -2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.292 13.132 -2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.929 13.600 -0.933 1.00 0.00 H new ATOM 294 N CYS A 23 -1.312 6.671 -1.428 1.00 0.00 N ATOM 295 CA CYS A 23 -1.014 5.387 -0.796 1.00 0.00 C ATOM 296 C CYS A 23 0.479 5.312 -0.485 1.00 0.00 C ATOM 297 O CYS A 23 0.889 5.064 0.665 1.00 0.00 O ATOM 298 CB CYS A 23 -1.440 4.240 -1.728 1.00 0.00 C ATOM 299 SG CYS A 23 -0.946 2.554 -1.207 1.00 0.00 S ATOM 0 H CYS A 23 -1.747 6.589 -2.347 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.570 5.294 0.137 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.525 4.264 -1.828 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.024 4.429 -2.718 1.00 0.00 H new ATOM 304 N SER A 24 1.287 5.602 -1.490 1.00 0.00 N ATOM 305 CA SER A 24 2.704 5.601 -1.330 1.00 0.00 C ATOM 306 C SER A 24 3.146 6.718 -0.385 1.00 0.00 C ATOM 307 O SER A 24 3.946 6.484 0.516 1.00 0.00 O ATOM 308 CB SER A 24 3.383 5.690 -2.697 1.00 0.00 C ATOM 309 OG SER A 24 2.791 6.704 -3.484 1.00 0.00 O ATOM 0 H SER A 24 0.968 5.841 -2.429 1.00 0.00 H new ATOM 0 HA SER A 24 3.013 4.663 -0.869 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.445 5.897 -2.568 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.305 4.732 -3.211 1.00 0.00 H new ATOM 0 HG SER A 24 1.964 6.365 -3.886 1.00 0.00 H new ATOM 315 N GLN A 25 2.584 7.915 -0.574 1.00 0.00 N ATOM 316 CA GLN A 25 2.902 9.084 0.241 1.00 0.00 C ATOM 317 C GLN A 25 2.711 8.808 1.724 1.00 0.00 C ATOM 318 O GLN A 25 3.650 8.918 2.495 1.00 0.00 O ATOM 319 CB GLN A 25 2.041 10.284 -0.180 1.00 0.00 C ATOM 320 CG GLN A 25 2.314 11.563 0.601 1.00 0.00 C ATOM 321 CD GLN A 25 3.746 12.055 0.477 1.00 0.00 C ATOM 322 OE1 GLN A 25 4.284 12.669 1.405 1.00 0.00 O ATOM 323 NE2 GLN A 25 4.366 11.816 -0.652 1.00 0.00 N ATOM 0 H GLN A 25 1.893 8.098 -1.301 1.00 0.00 H new ATOM 0 HA GLN A 25 3.954 9.318 0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.205 10.479 -1.240 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.990 10.020 -0.063 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.638 12.344 0.252 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.087 11.392 1.653 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.891 11.306 -1.397 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.324 12.140 -0.786 1.00 0.00 H new ATOM 332 N GLN A 26 1.513 8.405 2.094 1.00 0.00 N ATOM 333 CA GLN A 26 1.160 8.168 3.485 1.00 0.00 C ATOM 334 C GLN A 26 2.016 7.061 4.089 1.00 0.00 C ATOM 335 O GLN A 26 2.482 7.168 5.231 1.00 0.00 O ATOM 336 CB GLN A 26 -0.326 7.829 3.586 1.00 0.00 C ATOM 337 CG GLN A 26 -0.840 7.638 4.999 1.00 0.00 C ATOM 338 CD GLN A 26 -2.332 7.432 5.031 1.00 0.00 C ATOM 339 OE1 GLN A 26 -3.094 8.385 5.131 1.00 0.00 O ATOM 340 NE2 GLN A 26 -2.765 6.208 4.934 1.00 0.00 N ATOM 0 H GLN A 26 0.751 8.231 1.438 1.00 0.00 H new ATOM 0 HA GLN A 26 1.355 9.076 4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.899 8.625 3.111 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.516 6.918 3.019 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.345 6.779 5.452 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.581 8.509 5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.102 5.437 4.852 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.767 6.020 4.940 1.00 0.00 H new ATOM 349 N CYS A 27 2.261 6.034 3.311 1.00 0.00 N ATOM 350 CA CYS A 27 3.057 4.920 3.774 1.00 0.00 C ATOM 351 C CYS A 27 4.521 5.347 4.013 1.00 0.00 C ATOM 352 O CYS A 27 5.116 4.976 5.021 1.00 0.00 O ATOM 353 CB CYS A 27 2.967 3.745 2.801 1.00 0.00 C ATOM 354 SG CYS A 27 3.818 2.251 3.377 1.00 0.00 S ATOM 0 H CYS A 27 1.921 5.945 2.353 1.00 0.00 H new ATOM 0 HA CYS A 27 2.653 4.588 4.730 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.917 3.509 2.627 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.390 4.046 1.842 1.00 0.00 H new ATOM 359 N LYS A 28 5.067 6.178 3.107 1.00 0.00 N ATOM 360 CA LYS A 28 6.452 6.689 3.228 1.00 0.00 C ATOM 361 C LYS A 28 6.543 7.752 4.297 1.00 0.00 C ATOM 362 O LYS A 28 7.620 8.053 4.813 1.00 0.00 O ATOM 363 CB LYS A 28 6.923 7.317 1.916 1.00 0.00 C ATOM 364 CG LYS A 28 7.043 6.361 0.756 1.00 0.00 C ATOM 365 CD LYS A 28 7.459 7.071 -0.528 1.00 0.00 C ATOM 366 CE LYS A 28 6.394 8.065 -1.007 1.00 0.00 C ATOM 367 NZ LYS A 28 6.730 8.675 -2.314 1.00 0.00 N ATOM 0 H LYS A 28 4.572 6.513 2.280 1.00 0.00 H new ATOM 0 HA LYS A 28 7.080 5.836 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.229 8.111 1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.893 7.785 2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.774 5.589 0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.088 5.859 0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.398 7.598 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.642 6.332 -1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.434 7.554 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.276 8.852 -0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.978 9.338 -2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.632 9.187 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.816 7.929 -3.033 1.00 0.00 H new ATOM 381 N ASP A 29 5.430 8.370 4.568 1.00 0.00 N ATOM 382 CA ASP A 29 5.368 9.417 5.554 1.00 0.00 C ATOM 383 C ASP A 29 5.413 8.835 6.938 1.00 0.00 C ATOM 384 O ASP A 29 6.169 9.296 7.795 1.00 0.00 O ATOM 385 CB ASP A 29 4.098 10.249 5.377 1.00 0.00 C ATOM 386 CG ASP A 29 4.011 11.404 6.342 1.00 0.00 C ATOM 387 OD1 ASP A 29 4.670 12.431 6.102 1.00 0.00 O ATOM 388 OD2 ASP A 29 3.259 11.323 7.340 1.00 0.00 O ATOM 0 H ASP A 29 4.540 8.165 4.114 1.00 0.00 H new ATOM 0 HA ASP A 29 6.232 10.067 5.416 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.060 10.631 4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.228 9.606 5.509 1.00 0.00 H new ATOM 393 N ARG A 30 4.627 7.821 7.161 1.00 0.00 N ATOM 394 CA ARG A 30 4.555 7.229 8.472 1.00 0.00 C ATOM 395 C ARG A 30 5.652 6.204 8.701 1.00 0.00 C ATOM 396 O ARG A 30 6.431 6.321 9.660 1.00 0.00 O ATOM 397 CB ARG A 30 3.186 6.637 8.729 1.00 0.00 C ATOM 398 CG ARG A 30 2.077 7.653 8.609 1.00 0.00 C ATOM 399 CD ARG A 30 0.762 7.091 9.071 1.00 0.00 C ATOM 400 NE ARG A 30 0.797 6.738 10.496 1.00 0.00 N ATOM 401 CZ ARG A 30 -0.183 6.961 11.372 1.00 0.00 C ATOM 402 NH1 ARG A 30 -1.319 7.528 10.981 1.00 0.00 N ATOM 403 NH2 ARG A 30 -0.022 6.615 12.635 1.00 0.00 N ATOM 0 H ARG A 30 4.029 7.387 6.458 1.00 0.00 H new ATOM 0 HA ARG A 30 4.717 8.030 9.193 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.008 5.826 8.023 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.166 6.200 9.727 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.325 8.535 9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.991 7.978 7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.028 7.821 8.895 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.516 6.207 8.482 1.00 0.00 H new ATOM 0 HE ARG A 30 1.641 6.284 10.845 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.446 7.796 10.005 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.064 7.696 11.657 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.849 6.179 12.937 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.769 6.783 13.309 1.00 0.00 H new ATOM 417 N GLU A 31 5.741 5.231 7.827 1.00 0.00 N ATOM 418 CA GLU A 31 6.723 4.191 7.967 1.00 0.00 C ATOM 419 C GLU A 31 7.839 4.377 6.963 1.00 0.00 C ATOM 420 O GLU A 31 7.837 5.324 6.171 1.00 0.00 O ATOM 421 CB GLU A 31 6.117 2.785 7.841 1.00 0.00 C ATOM 422 CG GLU A 31 5.309 2.290 9.042 1.00 0.00 C ATOM 423 CD GLU A 31 4.002 3.007 9.269 1.00 0.00 C ATOM 424 OE1 GLU A 31 3.013 2.704 8.558 1.00 0.00 O ATOM 425 OE2 GLU A 31 3.909 3.825 10.197 1.00 0.00 O ATOM 0 H GLU A 31 5.140 5.140 7.008 1.00 0.00 H new ATOM 0 HA GLU A 31 7.129 4.273 8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.472 2.767 6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.926 2.078 7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.105 1.227 8.911 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.921 2.389 9.938 1.00 0.00 H new ATOM 432 N HIS A 32 8.787 3.492 6.989 1.00 0.00 N ATOM 433 CA HIS A 32 9.915 3.609 6.122 1.00 0.00 C ATOM 434 C HIS A 32 9.874 2.589 5.013 1.00 0.00 C ATOM 435 O HIS A 32 10.481 1.517 5.097 1.00 0.00 O ATOM 436 CB HIS A 32 11.226 3.556 6.909 1.00 0.00 C ATOM 437 CG HIS A 32 11.323 4.638 7.942 1.00 0.00 C ATOM 438 ND1 HIS A 32 10.928 4.483 9.253 1.00 0.00 N ATOM 439 CD2 HIS A 32 11.743 5.917 7.830 1.00 0.00 C ATOM 440 CE1 HIS A 32 11.107 5.637 9.883 1.00 0.00 C ATOM 441 NE2 HIS A 32 11.606 6.549 9.065 1.00 0.00 N ATOM 0 H HIS A 32 8.801 2.678 7.604 1.00 0.00 H new ATOM 0 HA HIS A 32 9.866 4.588 5.646 1.00 0.00 H new ATOM 0 HB2 HIS A 32 11.314 2.585 7.396 1.00 0.00 H new ATOM 0 HB3 HIS A 32 12.064 3.643 6.218 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.123 6.376 6.929 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.876 5.809 10.924 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.842 7.515 9.291 1.00 0.00 H new ATOM 449 N PHE A 33 9.096 2.895 4.015 1.00 0.00 N ATOM 450 CA PHE A 33 8.986 2.082 2.827 1.00 0.00 C ATOM 451 C PHE A 33 9.485 2.881 1.650 1.00 0.00 C ATOM 452 O PHE A 33 8.803 3.785 1.174 1.00 0.00 O ATOM 453 CB PHE A 33 7.542 1.615 2.575 1.00 0.00 C ATOM 454 CG PHE A 33 7.033 0.564 3.530 1.00 0.00 C ATOM 455 CD1 PHE A 33 6.580 0.904 4.791 1.00 0.00 C ATOM 456 CD2 PHE A 33 6.987 -0.764 3.147 1.00 0.00 C ATOM 457 CE1 PHE A 33 6.094 -0.059 5.652 1.00 0.00 C ATOM 458 CE2 PHE A 33 6.504 -1.731 4.007 1.00 0.00 C ATOM 459 CZ PHE A 33 6.056 -1.376 5.259 1.00 0.00 C ATOM 0 H PHE A 33 8.509 3.729 3.999 1.00 0.00 H new ATOM 0 HA PHE A 33 9.590 1.185 2.965 1.00 0.00 H new ATOM 0 HB2 PHE A 33 6.882 2.481 2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.475 1.224 1.560 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.607 1.937 5.107 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.333 -1.048 2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.744 0.222 6.634 1.00 0.00 H new ATOM 0 HE2 PHE A 33 6.478 -2.765 3.697 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.675 -2.131 5.931 1.00 0.00 H new ATOM 469 N ALA A 34 10.658 2.532 1.182 1.00 0.00 N ATOM 470 CA ALA A 34 11.337 3.247 0.116 1.00 0.00 C ATOM 471 C ALA A 34 10.566 3.194 -1.202 1.00 0.00 C ATOM 472 O ALA A 34 10.670 4.091 -2.030 1.00 0.00 O ATOM 473 CB ALA A 34 12.734 2.688 -0.058 1.00 0.00 C ATOM 0 H ALA A 34 11.181 1.730 1.534 1.00 0.00 H new ATOM 0 HA ALA A 34 11.396 4.297 0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.244 3.225 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.292 2.807 0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.673 1.630 -0.312 1.00 0.00 H new ATOM 479 N TYR A 35 9.790 2.155 -1.381 1.00 0.00 N ATOM 480 CA TYR A 35 9.000 1.992 -2.587 1.00 0.00 C ATOM 481 C TYR A 35 7.571 2.453 -2.379 1.00 0.00 C ATOM 482 O TYR A 35 6.754 2.428 -3.310 1.00 0.00 O ATOM 483 CB TYR A 35 9.052 0.545 -3.089 1.00 0.00 C ATOM 484 CG TYR A 35 10.412 0.152 -3.617 1.00 0.00 C ATOM 485 CD1 TYR A 35 11.406 -0.315 -2.772 1.00 0.00 C ATOM 486 CD2 TYR A 35 10.702 0.277 -4.962 1.00 0.00 C ATOM 487 CE1 TYR A 35 12.652 -0.649 -3.256 1.00 0.00 C ATOM 488 CE2 TYR A 35 11.944 -0.049 -5.458 1.00 0.00 C ATOM 489 CZ TYR A 35 12.915 -0.510 -4.602 1.00 0.00 C ATOM 490 OH TYR A 35 14.154 -0.828 -5.088 1.00 0.00 O ATOM 0 H TYR A 35 9.684 1.400 -0.703 1.00 0.00 H new ATOM 0 HA TYR A 35 9.438 2.627 -3.357 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.776 -0.126 -2.276 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.310 0.413 -3.877 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.201 -0.419 -1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.940 0.637 -5.637 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.416 -1.016 -2.587 1.00 0.00 H new ATOM 0 HE2 TYR A 35 12.154 0.057 -6.512 1.00 0.00 H new ATOM 0 HH TYR A 35 14.175 -0.675 -6.056 1.00 0.00 H new ATOM 500 N GLY A 36 7.285 2.908 -1.172 1.00 0.00 N ATOM 501 CA GLY A 36 5.974 3.389 -0.836 1.00 0.00 C ATOM 502 C GLY A 36 4.929 2.305 -0.852 1.00 0.00 C ATOM 503 O GLY A 36 5.037 1.318 -0.133 1.00 0.00 O ATOM 0 H GLY A 36 7.958 2.951 -0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.002 3.844 0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.689 4.172 -1.539 1.00 0.00 H new ATOM 507 N GLY A 37 3.956 2.463 -1.705 1.00 0.00 N ATOM 508 CA GLY A 37 2.872 1.554 -1.770 1.00 0.00 C ATOM 509 C GLY A 37 2.032 1.821 -2.975 1.00 0.00 C ATOM 510 O GLY A 37 2.265 2.804 -3.687 1.00 0.00 O ATOM 0 H GLY A 37 3.902 3.232 -2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.249 0.532 -1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.264 1.641 -0.870 1.00 0.00 H new ATOM 514 N ALA A 38 1.075 0.973 -3.206 1.00 0.00 N ATOM 515 CA ALA A 38 0.179 1.083 -4.327 1.00 0.00 C ATOM 516 C ALA A 38 -1.127 0.442 -3.931 1.00 0.00 C ATOM 517 O ALA A 38 -1.157 -0.351 -2.980 1.00 0.00 O ATOM 518 CB ALA A 38 0.771 0.393 -5.544 1.00 0.00 C ATOM 0 H ALA A 38 0.888 0.167 -2.610 1.00 0.00 H new ATOM 0 HA ALA A 38 0.019 2.129 -4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.083 0.484 -6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.721 0.861 -5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.934 -0.661 -5.321 1.00 0.00 H new ATOM 524 N CYS A 39 -2.175 0.751 -4.629 1.00 0.00 N ATOM 525 CA CYS A 39 -3.479 0.239 -4.295 1.00 0.00 C ATOM 526 C CYS A 39 -3.637 -1.166 -4.872 1.00 0.00 C ATOM 527 O CYS A 39 -3.360 -1.393 -6.051 1.00 0.00 O ATOM 528 CB CYS A 39 -4.564 1.180 -4.835 1.00 0.00 C ATOM 529 SG CYS A 39 -4.413 2.928 -4.280 1.00 0.00 S ATOM 0 H CYS A 39 -2.157 1.363 -5.445 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.586 0.184 -3.212 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.537 1.156 -5.924 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.539 0.800 -4.531 1.00 0.00 H new ATOM 534 N HIS A 40 -4.041 -2.100 -4.048 1.00 0.00 N ATOM 535 CA HIS A 40 -4.214 -3.481 -4.464 1.00 0.00 C ATOM 536 C HIS A 40 -5.518 -4.012 -3.864 1.00 0.00 C ATOM 537 O HIS A 40 -5.931 -3.574 -2.780 1.00 0.00 O ATOM 538 CB HIS A 40 -2.979 -4.321 -4.031 1.00 0.00 C ATOM 539 CG HIS A 40 -3.022 -5.787 -4.381 1.00 0.00 C ATOM 540 ND1 HIS A 40 -2.406 -6.337 -5.477 1.00 0.00 N ATOM 541 CD2 HIS A 40 -3.608 -6.817 -3.731 1.00 0.00 C ATOM 542 CE1 HIS A 40 -2.631 -7.650 -5.469 1.00 0.00 C ATOM 543 NE2 HIS A 40 -3.364 -7.998 -4.423 1.00 0.00 N ATOM 0 H HIS A 40 -4.261 -1.930 -3.067 1.00 0.00 H new ATOM 0 HA HIS A 40 -4.283 -3.553 -5.549 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.090 -3.885 -4.486 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.862 -4.229 -2.951 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.177 -6.735 -2.817 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.264 -8.339 -6.216 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.683 -8.935 -4.177 1.00 0.00 H new ATOM 551 N TYR A 41 -6.172 -4.913 -4.563 1.00 0.00 N ATOM 552 CA TYR A 41 -7.451 -5.425 -4.130 1.00 0.00 C ATOM 553 C TYR A 41 -7.354 -6.401 -2.966 1.00 0.00 C ATOM 554 O TYR A 41 -6.525 -7.319 -2.941 1.00 0.00 O ATOM 555 CB TYR A 41 -8.249 -6.051 -5.289 1.00 0.00 C ATOM 556 CG TYR A 41 -9.571 -6.664 -4.845 1.00 0.00 C ATOM 557 CD1 TYR A 41 -10.631 -5.864 -4.441 1.00 0.00 C ATOM 558 CD2 TYR A 41 -9.743 -8.042 -4.800 1.00 0.00 C ATOM 559 CE1 TYR A 41 -11.818 -6.416 -4.011 1.00 0.00 C ATOM 560 CE2 TYR A 41 -10.926 -8.598 -4.371 1.00 0.00 C ATOM 561 CZ TYR A 41 -11.962 -7.783 -3.977 1.00 0.00 C ATOM 562 OH TYR A 41 -13.146 -8.336 -3.550 1.00 0.00 O ATOM 0 H TYR A 41 -5.835 -5.308 -5.441 1.00 0.00 H new ATOM 0 HA TYR A 41 -7.994 -4.552 -3.768 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.445 -5.287 -6.041 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.641 -6.820 -5.766 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.523 -4.790 -4.464 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.934 -8.688 -5.107 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.632 -5.777 -3.702 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.041 -9.671 -4.344 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.083 -9.313 -3.588 1.00 0.00 H new ATOM 572 N GLN A 42 -8.208 -6.173 -2.029 1.00 0.00 N ATOM 573 CA GLN A 42 -8.429 -7.001 -0.907 1.00 0.00 C ATOM 574 C GLN A 42 -9.895 -6.850 -0.610 1.00 0.00 C ATOM 575 O GLN A 42 -10.453 -5.790 -0.874 1.00 0.00 O ATOM 576 CB GLN A 42 -7.578 -6.545 0.285 1.00 0.00 C ATOM 577 CG GLN A 42 -7.868 -7.296 1.574 1.00 0.00 C ATOM 578 CD GLN A 42 -6.992 -6.877 2.726 1.00 0.00 C ATOM 579 OE1 GLN A 42 -5.836 -6.505 2.551 1.00 0.00 O ATOM 580 NE2 GLN A 42 -7.532 -6.921 3.902 1.00 0.00 N ATOM 0 H GLN A 42 -8.807 -5.347 -2.032 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.151 -8.038 -1.097 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.524 -6.668 0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.744 -5.481 0.451 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.912 -7.142 1.847 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.738 -8.364 1.400 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.496 -7.236 4.009 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.993 -6.641 4.721 1.00 0.00 H new ATOM 589 N PHE A 43 -10.536 -7.888 -0.165 1.00 0.00 N ATOM 590 CA PHE A 43 -11.932 -7.788 0.184 1.00 0.00 C ATOM 591 C PHE A 43 -12.057 -6.912 1.450 1.00 0.00 C ATOM 592 O PHE A 43 -11.226 -7.025 2.358 1.00 0.00 O ATOM 593 CB PHE A 43 -12.529 -9.195 0.414 1.00 0.00 C ATOM 594 CG PHE A 43 -14.024 -9.207 0.612 1.00 0.00 C ATOM 595 CD1 PHE A 43 -14.876 -9.206 -0.480 1.00 0.00 C ATOM 596 CD2 PHE A 43 -14.576 -9.211 1.884 1.00 0.00 C ATOM 597 CE1 PHE A 43 -16.245 -9.207 -0.311 1.00 0.00 C ATOM 598 CE2 PHE A 43 -15.945 -9.214 2.059 1.00 0.00 C ATOM 599 CZ PHE A 43 -16.781 -9.212 0.959 1.00 0.00 C ATOM 0 H PHE A 43 -10.123 -8.811 -0.033 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.492 -7.326 -0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -12.282 -9.826 -0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.054 -9.640 1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -14.463 -9.204 -1.478 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -13.927 -9.212 2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -16.896 -9.204 -1.173 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -16.362 -9.218 3.055 1.00 0.00 H new ATOM 0 HZ PHE A 43 -17.853 -9.214 1.094 1.00 0.00 H new ATOM 609 N PRO A 44 -13.064 -6.017 1.532 1.00 0.00 N ATOM 610 CA PRO A 44 -14.069 -5.817 0.494 1.00 0.00 C ATOM 611 C PRO A 44 -13.776 -4.626 -0.436 1.00 0.00 C ATOM 612 O PRO A 44 -14.533 -4.362 -1.376 1.00 0.00 O ATOM 613 CB PRO A 44 -15.320 -5.533 1.324 1.00 0.00 C ATOM 614 CG PRO A 44 -14.823 -4.902 2.602 1.00 0.00 C ATOM 615 CD PRO A 44 -13.334 -5.157 2.691 1.00 0.00 C ATOM 0 HA PRO A 44 -14.132 -6.670 -0.181 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.999 -4.864 0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.872 -6.451 1.528 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.029 -3.832 2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.336 -5.328 3.464 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.764 -4.229 2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.066 -5.648 3.626 1.00 0.00 H new ATOM 623 N SER A 45 -12.692 -3.936 -0.195 1.00 0.00 N ATOM 624 CA SER A 45 -12.357 -2.765 -0.953 1.00 0.00 C ATOM 625 C SER A 45 -10.855 -2.662 -1.147 1.00 0.00 C ATOM 626 O SER A 45 -10.097 -2.990 -0.227 1.00 0.00 O ATOM 627 CB SER A 45 -12.904 -1.527 -0.231 1.00 0.00 C ATOM 628 OG SER A 45 -12.527 -1.524 1.153 1.00 0.00 O ATOM 0 H SER A 45 -12.018 -4.172 0.533 1.00 0.00 H new ATOM 0 HA SER A 45 -12.810 -2.832 -1.942 1.00 0.00 H new ATOM 0 HB2 SER A 45 -12.528 -0.625 -0.715 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.991 -1.505 -0.315 1.00 0.00 H new ATOM 0 HG SER A 45 -12.887 -0.723 1.588 1.00 0.00 H new ATOM 634 N VAL A 46 -10.444 -2.248 -2.355 1.00 0.00 N ATOM 635 CA VAL A 46 -9.033 -2.024 -2.697 1.00 0.00 C ATOM 636 C VAL A 46 -8.343 -1.202 -1.608 1.00 0.00 C ATOM 637 O VAL A 46 -8.778 -0.094 -1.279 1.00 0.00 O ATOM 638 CB VAL A 46 -8.894 -1.305 -4.071 1.00 0.00 C ATOM 639 CG1 VAL A 46 -7.444 -1.026 -4.404 1.00 0.00 C ATOM 640 CG2 VAL A 46 -9.521 -2.137 -5.173 1.00 0.00 C ATOM 0 H VAL A 46 -11.085 -2.058 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.550 -2.998 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.419 -0.353 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.383 -0.524 -5.369 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.010 -0.388 -3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.894 -1.966 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.414 -1.619 -6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.021 -3.104 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.579 -2.287 -4.958 1.00 0.00 H new ATOM 650 N LYS A 47 -7.279 -1.741 -1.081 1.00 0.00 N ATOM 651 CA LYS A 47 -6.600 -1.165 0.045 1.00 0.00 C ATOM 652 C LYS A 47 -5.198 -0.732 -0.385 1.00 0.00 C ATOM 653 O LYS A 47 -4.748 -1.067 -1.488 1.00 0.00 O ATOM 654 CB LYS A 47 -6.530 -2.221 1.162 1.00 0.00 C ATOM 655 CG LYS A 47 -6.096 -1.711 2.524 1.00 0.00 C ATOM 656 CD LYS A 47 -6.035 -2.847 3.519 1.00 0.00 C ATOM 657 CE LYS A 47 -5.862 -2.348 4.941 1.00 0.00 C ATOM 658 NZ LYS A 47 -7.052 -1.597 5.427 1.00 0.00 N ATOM 0 H LYS A 47 -6.855 -2.602 -1.425 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.133 -0.289 0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.513 -2.682 1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.840 -3.006 0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.119 -1.235 2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.794 -0.950 2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.948 -3.438 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.207 -3.509 3.264 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.676 -3.196 5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.983 -1.705 4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.249 -1.859 6.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.864 -0.576 5.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.875 -1.831 4.836 1.00 0.00 H new ATOM 672 N CYS A 48 -4.536 0.011 0.454 1.00 0.00 N ATOM 673 CA CYS A 48 -3.200 0.475 0.185 1.00 0.00 C ATOM 674 C CYS A 48 -2.221 -0.593 0.616 1.00 0.00 C ATOM 675 O CYS A 48 -2.280 -1.086 1.752 1.00 0.00 O ATOM 676 CB CYS A 48 -2.944 1.784 0.939 1.00 0.00 C ATOM 677 SG CYS A 48 -1.270 2.485 0.785 1.00 0.00 S ATOM 0 H CYS A 48 -4.909 0.316 1.353 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.075 0.668 -0.880 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.660 2.527 0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.150 1.617 1.996 1.00 0.00 H new ATOM 682 N PHE A 49 -1.379 -0.999 -0.288 1.00 0.00 N ATOM 683 CA PHE A 49 -0.393 -2.001 -0.009 1.00 0.00 C ATOM 684 C PHE A 49 0.984 -1.464 -0.201 1.00 0.00 C ATOM 685 O PHE A 49 1.423 -1.194 -1.350 1.00 0.00 O ATOM 686 CB PHE A 49 -0.599 -3.263 -0.846 1.00 0.00 C ATOM 687 CG PHE A 49 -1.751 -4.106 -0.399 1.00 0.00 C ATOM 688 CD1 PHE A 49 -3.049 -3.778 -0.729 1.00 0.00 C ATOM 689 CD2 PHE A 49 -1.529 -5.228 0.364 1.00 0.00 C ATOM 690 CE1 PHE A 49 -4.098 -4.555 -0.309 1.00 0.00 C ATOM 691 CE2 PHE A 49 -2.571 -6.004 0.789 1.00 0.00 C ATOM 692 CZ PHE A 49 -3.858 -5.668 0.450 1.00 0.00 C ATOM 0 H PHE A 49 -1.357 -0.643 -1.244 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.514 -2.282 1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.754 -2.976 -1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.311 -3.862 -0.813 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.242 -2.899 -1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.518 -5.500 0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.110 -4.289 -0.576 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.382 -6.881 1.391 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.682 -6.282 0.782 1.00 0.00 H new ATOM 702 N CYS A 50 1.657 -1.304 0.897 1.00 0.00 N ATOM 703 CA CYS A 50 3.002 -0.839 0.932 1.00 0.00 C ATOM 704 C CYS A 50 3.898 -1.880 0.315 1.00 0.00 C ATOM 705 O CYS A 50 3.694 -3.084 0.499 1.00 0.00 O ATOM 706 CB CYS A 50 3.417 -0.551 2.368 1.00 0.00 C ATOM 707 SG CYS A 50 2.454 0.771 3.163 1.00 0.00 S ATOM 0 H CYS A 50 1.270 -1.501 1.820 1.00 0.00 H new ATOM 0 HA CYS A 50 3.088 0.087 0.363 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.316 -1.464 2.955 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.472 -0.278 2.383 1.00 0.00 H new ATOM 712 N LYS A 51 4.846 -1.439 -0.434 1.00 0.00 N ATOM 713 CA LYS A 51 5.726 -2.323 -1.125 1.00 0.00 C ATOM 714 C LYS A 51 7.017 -2.400 -0.387 1.00 0.00 C ATOM 715 O LYS A 51 7.730 -1.403 -0.275 1.00 0.00 O ATOM 716 CB LYS A 51 5.981 -1.822 -2.536 1.00 0.00 C ATOM 717 CG LYS A 51 4.749 -1.757 -3.423 1.00 0.00 C ATOM 718 CD LYS A 51 4.259 -3.143 -3.832 1.00 0.00 C ATOM 719 CE LYS A 51 3.046 -3.053 -4.755 1.00 0.00 C ATOM 720 NZ LYS A 51 1.799 -2.673 -4.039 1.00 0.00 N ATOM 0 H LYS A 51 5.037 -0.449 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 51 5.267 -3.310 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.423 -0.827 -2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.718 -2.471 -3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.952 -1.232 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.977 -1.176 -4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.062 -3.681 -4.335 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.000 -3.717 -2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.246 -2.322 -5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.898 -4.015 -5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.029 -2.545 -4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.542 -3.424 -3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.953 -1.784 -3.522 1.00 0.00 H new ATOM 734 N ARG A 52 7.309 -3.536 0.153 1.00 0.00 N ATOM 735 CA ARG A 52 8.576 -3.685 0.829 1.00 0.00 C ATOM 736 C ARG A 52 9.558 -4.383 -0.048 1.00 0.00 C ATOM 737 O ARG A 52 9.180 -5.232 -0.853 1.00 0.00 O ATOM 738 CB ARG A 52 8.499 -4.396 2.185 1.00 0.00 C ATOM 739 CG ARG A 52 8.020 -5.835 2.136 1.00 0.00 C ATOM 740 CD ARG A 52 8.286 -6.543 3.460 1.00 0.00 C ATOM 741 NE ARG A 52 9.735 -6.710 3.707 1.00 0.00 N ATOM 742 CZ ARG A 52 10.424 -6.196 4.749 1.00 0.00 C ATOM 743 NH1 ARG A 52 9.818 -5.447 5.665 1.00 0.00 N ATOM 744 NH2 ARG A 52 11.720 -6.431 4.872 1.00 0.00 N ATOM 0 H ARG A 52 6.711 -4.363 0.147 1.00 0.00 H new ATOM 0 HA ARG A 52 8.906 -2.668 1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.487 -4.375 2.645 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.832 -3.830 2.836 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.953 -5.860 1.914 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.526 -6.364 1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.841 -5.972 4.275 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.802 -7.520 3.454 1.00 0.00 H new ATOM 0 HE ARG A 52 10.261 -7.263 3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.820 -5.254 5.587 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.351 -5.066 6.446 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.203 -7.002 4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.236 -6.041 5.660 1.00 0.00 H new ATOM 758 N GLN A 53 10.795 -4.016 0.111 1.00 0.00 N ATOM 759 CA GLN A 53 11.889 -4.604 -0.595 1.00 0.00 C ATOM 760 C GLN A 53 12.109 -5.987 -0.023 1.00 0.00 C ATOM 761 O GLN A 53 12.277 -6.143 1.194 1.00 0.00 O ATOM 762 CB GLN A 53 13.130 -3.746 -0.380 1.00 0.00 C ATOM 763 CG GLN A 53 14.331 -4.150 -1.202 1.00 0.00 C ATOM 764 CD GLN A 53 15.539 -3.322 -0.859 1.00 0.00 C ATOM 765 OE1 GLN A 53 15.761 -2.256 -1.434 1.00 0.00 O ATOM 766 NE2 GLN A 53 16.335 -3.797 0.062 1.00 0.00 N ATOM 0 H GLN A 53 11.076 -3.277 0.755 1.00 0.00 H new ATOM 0 HA GLN A 53 11.684 -4.668 -1.664 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.882 -2.710 -0.610 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.401 -3.782 0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.551 -5.204 -1.032 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.102 -4.039 -2.262 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.117 -4.684 0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.174 -3.281 0.327 1.00 0.00 H new ATOM 775 N CYS A 54 12.068 -6.966 -0.852 1.00 0.00 N ATOM 776 CA CYS A 54 12.217 -8.314 -0.419 1.00 0.00 C ATOM 777 C CYS A 54 13.412 -8.942 -1.088 1.00 0.00 C ATOM 778 O CYS A 54 13.357 -9.242 -2.290 1.00 0.00 O ATOM 779 CB CYS A 54 10.935 -9.105 -0.663 1.00 0.00 C ATOM 780 SG CYS A 54 9.493 -8.485 0.279 1.00 0.00 S ATOM 781 OXT CYS A 54 14.444 -9.125 -0.404 1.00 0.00 O ATOM 0 H CYS A 54 11.929 -6.858 -1.857 1.00 0.00 H new ATOM 0 HA CYS A 54 12.396 -8.328 0.656 1.00 0.00 H new ATOM 0 HB2 CYS A 54 10.700 -9.079 -1.727 1.00 0.00 H new ATOM 0 HB3 CYS A 54 11.108 -10.149 -0.400 1.00 0.00 H new TER 786 CYS A 54