USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=16 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 Set 1.1: A 16 HIS : no HE2:sc= 0.732 K(o=1.7,f=-7!) USER MOD Set 1.2: A 45 SER OG : rot 171:sc= 0.932 USER MOD Set 2.1: A 10 SER OG : rot -59:sc= 0.154 USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.309 USER MOD Set 2.3: A 26 GLN : amide:sc= 0.106 K(o=0.57,f=1.3) USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 150:sc= 1.27 (180deg=1.13) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 150:sc= 0.0608 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= -0.0215 (180deg=-0.141) USER MOD Single : A 24 SER OG : rot -83:sc= 1.08 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= 0.905 (180deg=0.253) 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= -0.318 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 122:sc= 0.00969 USER MOD Single : A 42 GLN : amide:sc= -0.0709 X(o=-0.071,f=-0.071) USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= -0.0318 (180deg=-0.216) USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= 1.32 (180deg=1.05) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 18.465 -7.259 -11.376 1.00 0.00 N ATOM 2 CA ASP A 1 17.719 -8.402 -11.938 1.00 0.00 C ATOM 3 C ASP A 1 16.236 -8.157 -11.866 1.00 0.00 C ATOM 4 O ASP A 1 15.583 -7.960 -12.885 1.00 0.00 O ATOM 5 CB ASP A 1 18.061 -9.711 -11.212 1.00 0.00 C ATOM 6 CG ASP A 1 17.287 -10.899 -11.758 1.00 0.00 C ATOM 7 OD1 ASP A 1 17.728 -11.500 -12.747 1.00 0.00 O ATOM 8 OD2 ASP A 1 16.235 -11.267 -11.186 1.00 0.00 O ATOM 0 H1 ASP A 1 19.486 -7.448 -11.435 1.00 0.00 H new ATOM 0 H2 ASP A 1 18.240 -6.399 -11.915 1.00 0.00 H new ATOM 0 H3 ASP A 1 18.195 -7.124 -10.381 1.00 0.00 H new ATOM 0 HA ASP A 1 18.017 -8.500 -12.982 1.00 0.00 H new ATOM 0 HB2 ASP A 1 19.130 -9.905 -11.303 1.00 0.00 H new ATOM 0 HB3 ASP A 1 17.847 -9.600 -10.149 1.00 0.00 H new ATOM 15 N GLY A 2 15.709 -8.143 -10.677 1.00 0.00 N ATOM 16 CA GLY A 2 14.320 -7.932 -10.497 1.00 0.00 C ATOM 17 C GLY A 2 13.980 -7.892 -9.050 1.00 0.00 C ATOM 18 O GLY A 2 14.021 -8.918 -8.372 1.00 0.00 O ATOM 0 H GLY A 2 16.235 -8.278 -9.814 1.00 0.00 H new ATOM 0 HA2 GLY A 2 14.024 -6.996 -10.972 1.00 0.00 H new ATOM 0 HA3 GLY A 2 13.759 -8.729 -10.986 1.00 0.00 H new ATOM 22 N VAL A 3 13.719 -6.719 -8.564 1.00 0.00 N ATOM 23 CA VAL A 3 13.322 -6.530 -7.197 1.00 0.00 C ATOM 24 C VAL A 3 11.837 -6.833 -7.068 1.00 0.00 C ATOM 25 O VAL A 3 11.014 -6.230 -7.766 1.00 0.00 O ATOM 26 CB VAL A 3 13.589 -5.076 -6.725 1.00 0.00 C ATOM 27 CG1 VAL A 3 13.148 -4.882 -5.286 1.00 0.00 C ATOM 28 CG2 VAL A 3 15.058 -4.712 -6.876 1.00 0.00 C ATOM 0 H VAL A 3 13.775 -5.857 -9.106 1.00 0.00 H new ATOM 0 HA VAL A 3 13.908 -7.203 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 3 13.003 -4.412 -7.360 1.00 0.00 H new ATOM 0 HG11 VAL A 3 13.346 -3.855 -4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 3 12.081 -5.086 -5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 3 13.700 -5.566 -4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 3 15.216 -3.688 -6.538 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.664 -5.390 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 3 15.348 -4.797 -7.923 1.00 0.00 H new ATOM 38 N LYS A 4 11.493 -7.756 -6.214 1.00 0.00 N ATOM 39 CA LYS A 4 10.107 -8.078 -5.997 1.00 0.00 C ATOM 40 C LYS A 4 9.622 -7.237 -4.859 1.00 0.00 C ATOM 41 O LYS A 4 10.401 -6.888 -3.972 1.00 0.00 O ATOM 42 CB LYS A 4 9.877 -9.579 -5.674 1.00 0.00 C ATOM 43 CG LYS A 4 10.067 -10.572 -6.842 1.00 0.00 C ATOM 44 CD LYS A 4 11.500 -10.643 -7.365 1.00 0.00 C ATOM 45 CE LYS A 4 12.483 -11.102 -6.293 1.00 0.00 C ATOM 46 NZ LYS A 4 13.865 -11.179 -6.814 1.00 0.00 N ATOM 0 H LYS A 4 12.152 -8.299 -5.656 1.00 0.00 H new ATOM 0 HA LYS A 4 9.556 -7.875 -6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.557 -9.863 -4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.863 -9.694 -5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.760 -11.566 -6.515 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.405 -10.287 -7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.542 -11.328 -8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.799 -9.662 -7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.450 -10.412 -5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.181 -12.080 -5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.537 -10.988 -6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.039 -12.130 -7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.992 -10.473 -7.567 1.00 0.00 H new ATOM 60 N LEU A 5 8.385 -6.865 -4.884 1.00 0.00 N ATOM 61 CA LEU A 5 7.858 -6.094 -3.804 1.00 0.00 C ATOM 62 C LEU A 5 6.765 -6.867 -3.157 1.00 0.00 C ATOM 63 O LEU A 5 5.911 -7.458 -3.839 1.00 0.00 O ATOM 64 CB LEU A 5 7.361 -4.725 -4.257 1.00 0.00 C ATOM 65 CG LEU A 5 8.363 -3.892 -5.057 1.00 0.00 C ATOM 66 CD1 LEU A 5 7.717 -2.621 -5.575 1.00 0.00 C ATOM 67 CD2 LEU A 5 9.579 -3.560 -4.211 1.00 0.00 C ATOM 0 H LEU A 5 7.725 -7.079 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 5 8.659 -5.906 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.466 -4.865 -4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.064 -4.156 -3.376 1.00 0.00 H new ATOM 0 HG LEU A 5 8.687 -4.484 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.449 -2.045 -6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.878 -2.877 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.359 -2.026 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.280 -2.967 -4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 5 9.268 -2.991 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 5 10.063 -4.483 -3.892 1.00 0.00 H new ATOM 79 N CYS A 6 6.798 -6.906 -1.884 1.00 0.00 N ATOM 80 CA CYS A 6 5.823 -7.640 -1.137 1.00 0.00 C ATOM 81 C CYS A 6 4.847 -6.675 -0.497 1.00 0.00 C ATOM 82 O CYS A 6 5.251 -5.594 -0.033 1.00 0.00 O ATOM 83 CB CYS A 6 6.508 -8.518 -0.098 1.00 0.00 C ATOM 84 SG CYS A 6 7.791 -9.621 -0.793 1.00 0.00 S ATOM 0 H CYS A 6 7.500 -6.432 -1.315 1.00 0.00 H new ATOM 0 HA CYS A 6 5.266 -8.297 -1.804 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.962 -7.880 0.660 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.755 -9.124 0.405 1.00 0.00 H new ATOM 89 N ASP A 7 3.579 -7.044 -0.500 1.00 0.00 N ATOM 90 CA ASP A 7 2.512 -6.198 0.021 1.00 0.00 C ATOM 91 C ASP A 7 2.455 -6.256 1.514 1.00 0.00 C ATOM 92 O ASP A 7 2.338 -7.333 2.103 1.00 0.00 O ATOM 93 CB ASP A 7 1.130 -6.592 -0.519 1.00 0.00 C ATOM 94 CG ASP A 7 0.957 -6.398 -1.997 1.00 0.00 C ATOM 95 OD1 ASP A 7 1.257 -5.321 -2.505 1.00 0.00 O ATOM 96 OD2 ASP A 7 0.491 -7.346 -2.687 1.00 0.00 O ATOM 0 H ASP A 7 3.256 -7.940 -0.864 1.00 0.00 H new ATOM 0 HA ASP A 7 2.750 -5.188 -0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.946 -7.639 -0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.371 -6.008 0.002 1.00 0.00 H new ATOM 101 N VAL A 8 2.567 -5.123 2.120 1.00 0.00 N ATOM 102 CA VAL A 8 2.436 -4.989 3.541 1.00 0.00 C ATOM 103 C VAL A 8 1.246 -4.077 3.800 1.00 0.00 C ATOM 104 O VAL A 8 1.266 -2.929 3.368 1.00 0.00 O ATOM 105 CB VAL A 8 3.702 -4.349 4.160 1.00 0.00 C ATOM 106 CG1 VAL A 8 3.614 -4.317 5.668 1.00 0.00 C ATOM 107 CG2 VAL A 8 4.953 -5.075 3.724 1.00 0.00 C ATOM 0 H VAL A 8 2.756 -4.244 1.638 1.00 0.00 H new ATOM 0 HA VAL A 8 2.300 -5.972 3.991 1.00 0.00 H new ATOM 0 HB VAL A 8 3.759 -3.323 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.517 -3.862 6.076 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.745 -3.732 5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.516 -5.334 6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.825 -4.601 4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.900 -6.116 4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.039 -5.032 2.638 1.00 0.00 H new ATOM 117 N PRO A 9 0.183 -4.576 4.457 1.00 0.00 N ATOM 118 CA PRO A 9 -1.028 -3.784 4.754 1.00 0.00 C ATOM 119 C PRO A 9 -0.693 -2.429 5.375 1.00 0.00 C ATOM 120 O PRO A 9 0.149 -2.333 6.279 1.00 0.00 O ATOM 121 CB PRO A 9 -1.773 -4.653 5.762 1.00 0.00 C ATOM 122 CG PRO A 9 -1.372 -6.038 5.413 1.00 0.00 C ATOM 123 CD PRO A 9 0.063 -5.956 4.967 1.00 0.00 C ATOM 0 HA PRO A 9 -1.600 -3.557 3.854 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.494 -4.404 6.786 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.852 -4.519 5.683 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.476 -6.702 6.271 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.004 -6.439 4.621 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.751 -6.141 5.792 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.286 -6.691 4.194 1.00 0.00 H new ATOM 131 N SER A 10 -1.304 -1.394 4.869 1.00 0.00 N ATOM 132 CA SER A 10 -1.053 -0.077 5.354 1.00 0.00 C ATOM 133 C SER A 10 -1.843 0.146 6.636 1.00 0.00 C ATOM 134 O SER A 10 -3.077 0.288 6.612 1.00 0.00 O ATOM 135 CB SER A 10 -1.428 0.962 4.289 1.00 0.00 C ATOM 136 OG SER A 10 -1.100 2.281 4.694 1.00 0.00 O ATOM 0 H SER A 10 -1.986 -1.445 4.112 1.00 0.00 H new ATOM 0 HA SER A 10 0.009 0.036 5.571 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.911 0.730 3.358 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.497 0.901 4.084 1.00 0.00 H new ATOM 0 HG SER A 10 -1.576 2.497 5.523 1.00 0.00 H new ATOM 142 N GLY A 11 -1.146 0.162 7.755 1.00 0.00 N ATOM 143 CA GLY A 11 -1.774 0.374 9.040 1.00 0.00 C ATOM 144 C GLY A 11 -2.082 1.832 9.296 1.00 0.00 C ATOM 145 O GLY A 11 -1.711 2.383 10.330 1.00 0.00 O ATOM 0 H GLY A 11 -0.136 0.029 7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.697 -0.204 9.090 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.120 -0.000 9.827 1.00 0.00 H new ATOM 149 N THR A 12 -2.726 2.449 8.339 1.00 0.00 N ATOM 150 CA THR A 12 -3.135 3.830 8.389 1.00 0.00 C ATOM 151 C THR A 12 -4.371 4.013 7.518 1.00 0.00 C ATOM 152 O THR A 12 -5.446 4.403 7.999 1.00 0.00 O ATOM 153 CB THR A 12 -2.003 4.794 7.903 1.00 0.00 C ATOM 154 OG1 THR A 12 -1.361 4.278 6.713 1.00 0.00 O ATOM 155 CG2 THR A 12 -0.967 5.063 8.988 1.00 0.00 C ATOM 0 H THR A 12 -2.990 1.986 7.470 1.00 0.00 H new ATOM 0 HA THR A 12 -3.357 4.081 9.426 1.00 0.00 H new ATOM 0 HB THR A 12 -2.480 5.744 7.664 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.658 4.897 6.426 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.202 5.737 8.602 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.453 5.521 9.850 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.504 4.124 9.290 1.00 0.00 H new ATOM 163 N TRP A 13 -4.216 3.671 6.244 1.00 0.00 N ATOM 164 CA TRP A 13 -5.255 3.825 5.247 1.00 0.00 C ATOM 165 C TRP A 13 -6.448 2.948 5.582 1.00 0.00 C ATOM 166 O TRP A 13 -6.315 1.739 5.733 1.00 0.00 O ATOM 167 CB TRP A 13 -4.713 3.439 3.873 1.00 0.00 C ATOM 168 CG TRP A 13 -5.567 3.895 2.725 1.00 0.00 C ATOM 169 CD1 TRP A 13 -6.777 3.394 2.326 1.00 0.00 C ATOM 170 CD2 TRP A 13 -5.245 4.938 1.806 1.00 0.00 C ATOM 171 NE1 TRP A 13 -7.231 4.095 1.239 1.00 0.00 N ATOM 172 CE2 TRP A 13 -6.304 5.038 0.897 1.00 0.00 C ATOM 173 CE3 TRP A 13 -4.161 5.806 1.675 1.00 0.00 C ATOM 174 CZ2 TRP A 13 -6.312 5.970 -0.131 1.00 0.00 C ATOM 175 CZ3 TRP A 13 -4.172 6.726 0.657 1.00 0.00 C ATOM 176 CH2 TRP A 13 -5.239 6.803 -0.235 1.00 0.00 C ATOM 0 H TRP A 13 -3.352 3.274 5.875 1.00 0.00 H new ATOM 0 HA TRP A 13 -5.574 4.867 5.237 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -3.714 3.859 3.758 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.610 2.355 3.827 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.295 2.571 2.796 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.119 3.938 0.762 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -3.329 5.755 2.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.139 6.033 -0.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.338 7.403 0.545 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -5.215 7.538 -1.026 1.00 0.00 H new ATOM 187 N SER A 14 -7.588 3.555 5.691 1.00 0.00 N ATOM 188 CA SER A 14 -8.797 2.850 5.983 1.00 0.00 C ATOM 189 C SER A 14 -9.845 3.171 4.914 1.00 0.00 C ATOM 190 O SER A 14 -10.142 4.354 4.643 1.00 0.00 O ATOM 191 CB SER A 14 -9.275 3.240 7.375 1.00 0.00 C ATOM 192 OG SER A 14 -8.232 3.022 8.329 1.00 0.00 O ATOM 0 H SER A 14 -7.707 4.562 5.579 1.00 0.00 H new ATOM 0 HA SER A 14 -8.625 1.774 5.970 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.575 4.288 7.385 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.154 2.654 7.644 1.00 0.00 H new ATOM 0 HG SER A 14 -8.547 3.277 9.222 1.00 0.00 H new ATOM 198 N GLY A 15 -10.369 2.144 4.300 1.00 0.00 N ATOM 199 CA GLY A 15 -11.328 2.316 3.250 1.00 0.00 C ATOM 200 C GLY A 15 -10.752 1.917 1.915 1.00 0.00 C ATOM 201 O GLY A 15 -9.809 1.121 1.852 1.00 0.00 O ATOM 0 H GLY A 15 -10.143 1.173 4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.214 1.716 3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.649 3.357 3.214 1.00 0.00 H new ATOM 205 N HIS A 16 -11.282 2.487 0.868 1.00 0.00 N ATOM 206 CA HIS A 16 -10.868 2.192 -0.486 1.00 0.00 C ATOM 207 C HIS A 16 -9.629 3.010 -0.852 1.00 0.00 C ATOM 208 O HIS A 16 -9.507 4.178 -0.472 1.00 0.00 O ATOM 209 CB HIS A 16 -12.041 2.483 -1.458 1.00 0.00 C ATOM 210 CG HIS A 16 -11.715 2.357 -2.925 1.00 0.00 C ATOM 211 ND1 HIS A 16 -11.730 1.176 -3.623 1.00 0.00 N ATOM 212 CD2 HIS A 16 -11.354 3.311 -3.817 1.00 0.00 C ATOM 213 CE1 HIS A 16 -11.383 1.440 -4.887 1.00 0.00 C ATOM 214 NE2 HIS A 16 -11.148 2.727 -5.055 1.00 0.00 N ATOM 0 H HIS A 16 -12.026 3.182 0.927 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.604 1.138 -0.566 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.860 1.802 -1.226 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.404 3.493 -1.270 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -11.965 0.258 -3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.244 4.363 -3.597 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.305 0.697 -5.667 1.00 0.00 H new ATOM 222 N CYS A 17 -8.716 2.398 -1.547 1.00 0.00 N ATOM 223 CA CYS A 17 -7.524 3.065 -1.994 1.00 0.00 C ATOM 224 C CYS A 17 -7.731 3.515 -3.423 1.00 0.00 C ATOM 225 O CYS A 17 -7.671 2.705 -4.357 1.00 0.00 O ATOM 226 CB CYS A 17 -6.322 2.121 -1.914 1.00 0.00 C ATOM 227 SG CYS A 17 -4.685 2.919 -2.101 1.00 0.00 S ATOM 0 H CYS A 17 -8.775 1.418 -1.822 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.325 3.926 -1.355 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.349 1.606 -0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.427 1.360 -2.687 1.00 0.00 H new ATOM 232 N GLY A 18 -8.039 4.777 -3.601 1.00 0.00 N ATOM 233 CA GLY A 18 -8.246 5.280 -4.932 1.00 0.00 C ATOM 234 C GLY A 18 -7.165 6.250 -5.341 1.00 0.00 C ATOM 235 O GLY A 18 -7.253 6.891 -6.392 1.00 0.00 O ATOM 0 H GLY A 18 -8.150 5.462 -2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.272 4.447 -5.635 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.216 5.773 -4.987 1.00 0.00 H new ATOM 239 N SER A 19 -6.146 6.353 -4.528 1.00 0.00 N ATOM 240 CA SER A 19 -5.056 7.242 -4.795 1.00 0.00 C ATOM 241 C SER A 19 -3.744 6.526 -4.524 1.00 0.00 C ATOM 242 O SER A 19 -3.343 6.343 -3.363 1.00 0.00 O ATOM 243 CB SER A 19 -5.177 8.524 -3.955 1.00 0.00 C ATOM 244 OG SER A 19 -4.110 9.422 -4.216 1.00 0.00 O ATOM 0 H SER A 19 -6.053 5.821 -3.663 1.00 0.00 H new ATOM 0 HA SER A 19 -5.083 7.539 -5.843 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.127 9.013 -4.172 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.186 8.266 -2.896 1.00 0.00 H new ATOM 0 HG SER A 19 -4.418 10.343 -4.086 1.00 0.00 H new ATOM 250 N SER A 20 -3.093 6.106 -5.585 1.00 0.00 N ATOM 251 CA SER A 20 -1.848 5.381 -5.497 1.00 0.00 C ATOM 252 C SER A 20 -0.751 6.324 -4.993 1.00 0.00 C ATOM 253 O SER A 20 0.157 5.921 -4.239 1.00 0.00 O ATOM 254 CB SER A 20 -1.495 4.814 -6.887 1.00 0.00 C ATOM 255 OG SER A 20 -0.413 3.896 -6.836 1.00 0.00 O ATOM 0 H SER A 20 -3.416 6.260 -6.540 1.00 0.00 H new ATOM 0 HA SER A 20 -1.939 4.551 -4.796 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.370 4.318 -7.307 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.241 5.635 -7.558 1.00 0.00 H new ATOM 0 HG SER A 20 -0.225 3.561 -7.738 1.00 0.00 H new ATOM 261 N SER A 21 -0.885 7.589 -5.350 1.00 0.00 N ATOM 262 CA SER A 21 0.072 8.595 -4.994 1.00 0.00 C ATOM 263 C SER A 21 0.003 8.880 -3.494 1.00 0.00 C ATOM 264 O SER A 21 1.028 9.000 -2.831 1.00 0.00 O ATOM 265 CB SER A 21 -0.231 9.854 -5.795 1.00 0.00 C ATOM 266 OG SER A 21 -0.389 9.525 -7.172 1.00 0.00 O ATOM 0 H SER A 21 -1.670 7.939 -5.899 1.00 0.00 H new ATOM 0 HA SER A 21 1.080 8.250 -5.223 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.138 10.326 -5.418 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.577 10.576 -5.675 1.00 0.00 H new ATOM 0 HG SER A 21 -0.585 10.338 -7.682 1.00 0.00 H new ATOM 272 N LYS A 22 -1.202 8.932 -2.950 1.00 0.00 N ATOM 273 CA LYS A 22 -1.349 9.187 -1.535 1.00 0.00 C ATOM 274 C LYS A 22 -1.062 7.949 -0.719 1.00 0.00 C ATOM 275 O LYS A 22 -0.543 8.052 0.376 1.00 0.00 O ATOM 276 CB LYS A 22 -2.708 9.785 -1.194 1.00 0.00 C ATOM 277 CG LYS A 22 -2.917 11.176 -1.783 1.00 0.00 C ATOM 278 CD LYS A 22 -4.295 11.737 -1.460 1.00 0.00 C ATOM 279 CE LYS A 22 -4.503 11.960 0.034 1.00 0.00 C ATOM 280 NZ LYS A 22 -3.545 12.934 0.599 1.00 0.00 N ATOM 0 H LYS A 22 -2.076 8.803 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.604 9.936 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.492 9.121 -1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.813 9.837 -0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.153 11.851 -1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.788 11.134 -2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.431 12.682 -1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.058 11.052 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.520 12.313 0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.401 11.009 0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.830 13.179 1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.593 12.516 0.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.537 13.793 0.013 1.00 0.00 H new ATOM 294 N CYS A 23 -1.386 6.781 -1.265 1.00 0.00 N ATOM 295 CA CYS A 23 -1.086 5.504 -0.612 1.00 0.00 C ATOM 296 C CYS A 23 0.412 5.389 -0.355 1.00 0.00 C ATOM 297 O CYS A 23 0.857 5.120 0.779 1.00 0.00 O ATOM 298 CB CYS A 23 -1.574 4.331 -1.482 1.00 0.00 C ATOM 299 SG CYS A 23 -1.090 2.668 -0.893 1.00 0.00 S ATOM 0 H CYS A 23 -1.859 6.689 -2.164 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.609 5.465 0.343 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.661 4.374 -1.545 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.191 4.466 -2.493 1.00 0.00 H new ATOM 304 N SER A 24 1.191 5.659 -1.385 1.00 0.00 N ATOM 305 CA SER A 24 2.613 5.604 -1.281 1.00 0.00 C ATOM 306 C SER A 24 3.146 6.715 -0.383 1.00 0.00 C ATOM 307 O SER A 24 3.930 6.447 0.516 1.00 0.00 O ATOM 308 CB SER A 24 3.240 5.634 -2.666 1.00 0.00 C ATOM 309 OG SER A 24 2.685 6.671 -3.453 1.00 0.00 O ATOM 0 H SER A 24 0.845 5.920 -2.308 1.00 0.00 H new ATOM 0 HA SER A 24 2.894 4.663 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.317 5.776 -2.578 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.084 4.675 -3.160 1.00 0.00 H new ATOM 0 HG SER A 24 1.848 6.362 -3.859 1.00 0.00 H new ATOM 315 N GLN A 25 2.677 7.942 -0.612 1.00 0.00 N ATOM 316 CA GLN A 25 3.065 9.113 0.181 1.00 0.00 C ATOM 317 C GLN A 25 2.861 8.867 1.674 1.00 0.00 C ATOM 318 O GLN A 25 3.793 9.029 2.482 1.00 0.00 O ATOM 319 CB GLN A 25 2.233 10.315 -0.250 1.00 0.00 C ATOM 320 CG GLN A 25 2.483 11.570 0.556 1.00 0.00 C ATOM 321 CD GLN A 25 1.592 12.710 0.139 1.00 0.00 C ATOM 322 OE1 GLN A 25 0.463 12.517 -0.324 1.00 0.00 O ATOM 323 NE2 GLN A 25 2.078 13.899 0.287 1.00 0.00 N ATOM 0 H GLN A 25 2.013 8.154 -1.357 1.00 0.00 H new ATOM 0 HA GLN A 25 4.124 9.305 0.008 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.438 10.525 -1.300 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.177 10.055 -0.177 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.324 11.357 1.613 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.525 11.868 0.444 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.014 14.023 0.673 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.525 14.713 0.018 1.00 0.00 H new ATOM 332 N GLN A 26 1.659 8.439 2.017 1.00 0.00 N ATOM 333 CA GLN A 26 1.271 8.193 3.384 1.00 0.00 C ATOM 334 C GLN A 26 2.119 7.086 3.983 1.00 0.00 C ATOM 335 O GLN A 26 2.559 7.187 5.110 1.00 0.00 O ATOM 336 CB GLN A 26 -0.210 7.832 3.445 1.00 0.00 C ATOM 337 CG GLN A 26 -0.793 7.729 4.840 1.00 0.00 C ATOM 338 CD GLN A 26 -2.268 7.425 4.794 1.00 0.00 C ATOM 339 OE1 GLN A 26 -3.094 8.329 4.731 1.00 0.00 O ATOM 340 NE2 GLN A 26 -2.620 6.176 4.860 1.00 0.00 N ATOM 0 H GLN A 26 0.919 8.252 1.341 1.00 0.00 H new ATOM 0 HA GLN A 26 1.434 9.099 3.968 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.773 8.581 2.888 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.356 6.879 2.936 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.275 6.948 5.396 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.628 8.664 5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.908 5.447 4.911 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.608 5.924 4.860 1.00 0.00 H new ATOM 349 N CYS A 27 2.393 6.059 3.213 1.00 0.00 N ATOM 350 CA CYS A 27 3.198 4.967 3.715 1.00 0.00 C ATOM 351 C CYS A 27 4.668 5.389 3.879 1.00 0.00 C ATOM 352 O CYS A 27 5.309 5.024 4.848 1.00 0.00 O ATOM 353 CB CYS A 27 3.068 3.715 2.848 1.00 0.00 C ATOM 354 SG CYS A 27 3.962 2.285 3.522 1.00 0.00 S ATOM 0 H CYS A 27 2.076 5.955 2.249 1.00 0.00 H new ATOM 0 HA CYS A 27 2.814 4.710 4.702 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.013 3.460 2.744 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.444 3.932 1.848 1.00 0.00 H new ATOM 359 N LYS A 28 5.174 6.207 2.958 1.00 0.00 N ATOM 360 CA LYS A 28 6.555 6.722 3.041 1.00 0.00 C ATOM 361 C LYS A 28 6.691 7.677 4.225 1.00 0.00 C ATOM 362 O LYS A 28 7.776 7.861 4.780 1.00 0.00 O ATOM 363 CB LYS A 28 6.937 7.466 1.747 1.00 0.00 C ATOM 364 CG LYS A 28 7.013 6.582 0.514 1.00 0.00 C ATOM 365 CD LYS A 28 7.251 7.381 -0.768 1.00 0.00 C ATOM 366 CE LYS A 28 8.617 8.061 -0.805 1.00 0.00 C ATOM 367 NZ LYS A 28 9.730 7.091 -0.760 1.00 0.00 N ATOM 0 H LYS A 28 4.655 6.532 2.143 1.00 0.00 H new ATOM 0 HA LYS A 28 7.225 5.873 3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.208 8.256 1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.903 7.950 1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.817 5.857 0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.086 6.017 0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.160 6.715 -1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.472 8.137 -0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.697 8.660 -1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.702 8.746 0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.548 7.478 -1.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.994 6.911 0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.432 6.200 -1.206 1.00 0.00 H new ATOM 381 N ASP A 29 5.590 8.295 4.576 1.00 0.00 N ATOM 382 CA ASP A 29 5.530 9.233 5.688 1.00 0.00 C ATOM 383 C ASP A 29 5.344 8.532 7.041 1.00 0.00 C ATOM 384 O ASP A 29 6.110 8.759 7.977 1.00 0.00 O ATOM 385 CB ASP A 29 4.392 10.234 5.443 1.00 0.00 C ATOM 386 CG ASP A 29 4.114 11.153 6.606 1.00 0.00 C ATOM 387 OD1 ASP A 29 4.844 12.145 6.798 1.00 0.00 O ATOM 388 OD2 ASP A 29 3.132 10.917 7.329 1.00 0.00 O ATOM 0 H ASP A 29 4.698 8.165 4.098 1.00 0.00 H new ATOM 0 HA ASP A 29 6.485 9.755 5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.636 10.837 4.568 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.483 9.682 5.206 1.00 0.00 H new ATOM 393 N ARG A 30 4.350 7.673 7.123 1.00 0.00 N ATOM 394 CA ARG A 30 3.972 7.015 8.381 1.00 0.00 C ATOM 395 C ARG A 30 4.849 5.800 8.678 1.00 0.00 C ATOM 396 O ARG A 30 5.314 5.610 9.808 1.00 0.00 O ATOM 397 CB ARG A 30 2.509 6.571 8.308 1.00 0.00 C ATOM 398 CG ARG A 30 1.534 7.693 7.987 1.00 0.00 C ATOM 399 CD ARG A 30 1.445 8.712 9.093 1.00 0.00 C ATOM 400 NE ARG A 30 0.540 9.799 8.728 1.00 0.00 N ATOM 401 CZ ARG A 30 -0.612 10.080 9.344 1.00 0.00 C ATOM 402 NH1 ARG A 30 -1.013 9.360 10.396 1.00 0.00 N ATOM 403 NH2 ARG A 30 -1.359 11.087 8.917 1.00 0.00 N ATOM 0 H ARG A 30 3.774 7.403 6.326 1.00 0.00 H new ATOM 0 HA ARG A 30 4.113 7.737 9.185 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.414 5.794 7.550 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.229 6.122 9.261 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.844 8.187 7.066 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.546 7.271 7.806 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.094 8.233 10.007 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.436 9.114 9.304 1.00 0.00 H new ATOM 0 HE ARG A 30 0.809 10.390 7.941 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.438 8.589 10.735 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.894 9.582 10.860 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.054 11.646 8.120 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.239 11.304 9.385 1.00 0.00 H new ATOM 417 N GLU A 31 5.070 4.995 7.672 1.00 0.00 N ATOM 418 CA GLU A 31 5.843 3.777 7.795 1.00 0.00 C ATOM 419 C GLU A 31 7.254 4.036 7.295 1.00 0.00 C ATOM 420 O GLU A 31 7.657 5.192 7.146 1.00 0.00 O ATOM 421 CB GLU A 31 5.190 2.667 6.964 1.00 0.00 C ATOM 422 CG GLU A 31 3.831 2.207 7.458 1.00 0.00 C ATOM 423 CD GLU A 31 3.902 1.603 8.833 1.00 0.00 C ATOM 424 OE1 GLU A 31 4.584 0.567 9.011 1.00 0.00 O ATOM 425 OE2 GLU A 31 3.267 2.129 9.757 1.00 0.00 O ATOM 0 H GLU A 31 4.716 5.165 6.731 1.00 0.00 H new ATOM 0 HA GLU A 31 5.877 3.463 8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.087 3.017 5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.861 1.808 6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.145 3.054 7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.422 1.475 6.762 1.00 0.00 H new ATOM 432 N HIS A 32 8.012 2.994 7.078 1.00 0.00 N ATOM 433 CA HIS A 32 9.334 3.142 6.530 1.00 0.00 C ATOM 434 C HIS A 32 9.498 2.221 5.330 1.00 0.00 C ATOM 435 O HIS A 32 10.034 1.109 5.437 1.00 0.00 O ATOM 436 CB HIS A 32 10.433 2.910 7.594 1.00 0.00 C ATOM 437 CG HIS A 32 11.839 3.157 7.098 1.00 0.00 C ATOM 438 ND1 HIS A 32 12.739 2.154 6.798 1.00 0.00 N ATOM 439 CD2 HIS A 32 12.489 4.322 6.860 1.00 0.00 C ATOM 440 CE1 HIS A 32 13.877 2.718 6.394 1.00 0.00 C ATOM 441 NE2 HIS A 32 13.780 4.041 6.412 1.00 0.00 N ATOM 0 H HIS A 32 7.736 2.032 7.273 1.00 0.00 H new ATOM 0 HA HIS A 32 9.455 4.172 6.194 1.00 0.00 H new ATOM 0 HB2 HIS A 32 10.241 3.562 8.446 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.362 1.884 7.955 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.074 5.310 6.995 1.00 0.00 H new ATOM 0 HE1 HIS A 32 14.759 2.172 6.093 1.00 0.00 H new ATOM 0 HE2 HIS A 32 14.501 4.714 6.152 1.00 0.00 H new ATOM 449 N PHE A 33 8.945 2.647 4.219 1.00 0.00 N ATOM 450 CA PHE A 33 9.037 1.910 2.984 1.00 0.00 C ATOM 451 C PHE A 33 9.415 2.846 1.862 1.00 0.00 C ATOM 452 O PHE A 33 8.641 3.740 1.499 1.00 0.00 O ATOM 453 CB PHE A 33 7.727 1.159 2.654 1.00 0.00 C ATOM 454 CG PHE A 33 7.360 0.084 3.648 1.00 0.00 C ATOM 455 CD1 PHE A 33 7.958 -1.160 3.597 1.00 0.00 C ATOM 456 CD2 PHE A 33 6.428 0.326 4.635 1.00 0.00 C ATOM 457 CE1 PHE A 33 7.628 -2.139 4.514 1.00 0.00 C ATOM 458 CE2 PHE A 33 6.095 -0.647 5.553 1.00 0.00 C ATOM 459 CZ PHE A 33 6.695 -1.881 5.491 1.00 0.00 C ATOM 0 H PHE A 33 8.417 3.517 4.147 1.00 0.00 H new ATOM 0 HA PHE A 33 9.812 1.153 3.101 1.00 0.00 H new ATOM 0 HB2 PHE A 33 6.912 1.881 2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.820 0.708 1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.691 -1.369 2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.951 1.294 4.690 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.103 -3.108 4.464 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.363 -0.439 6.320 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.435 -2.646 6.207 1.00 0.00 H new ATOM 469 N ALA A 34 10.590 2.630 1.312 1.00 0.00 N ATOM 470 CA ALA A 34 11.145 3.461 0.253 1.00 0.00 C ATOM 471 C ALA A 34 10.258 3.450 -0.977 1.00 0.00 C ATOM 472 O ALA A 34 10.054 4.479 -1.615 1.00 0.00 O ATOM 473 CB ALA A 34 12.541 2.988 -0.100 1.00 0.00 C ATOM 0 H ALA A 34 11.200 1.861 1.589 1.00 0.00 H new ATOM 0 HA ALA A 34 11.197 4.487 0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.948 3.615 -0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.181 3.054 0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.499 1.954 -0.441 1.00 0.00 H new ATOM 479 N TYR A 35 9.690 2.303 -1.263 1.00 0.00 N ATOM 480 CA TYR A 35 8.817 2.133 -2.412 1.00 0.00 C ATOM 481 C TYR A 35 7.420 2.681 -2.132 1.00 0.00 C ATOM 482 O TYR A 35 6.601 2.846 -3.053 1.00 0.00 O ATOM 483 CB TYR A 35 8.735 0.660 -2.815 1.00 0.00 C ATOM 484 CG TYR A 35 10.010 0.094 -3.397 1.00 0.00 C ATOM 485 CD1 TYR A 35 10.240 0.148 -4.759 1.00 0.00 C ATOM 486 CD2 TYR A 35 10.976 -0.502 -2.596 1.00 0.00 C ATOM 487 CE1 TYR A 35 11.389 -0.370 -5.313 1.00 0.00 C ATOM 488 CE2 TYR A 35 12.127 -1.023 -3.150 1.00 0.00 C ATOM 489 CZ TYR A 35 12.326 -0.954 -4.506 1.00 0.00 C ATOM 490 OH TYR A 35 13.465 -1.479 -5.051 1.00 0.00 O ATOM 0 H TYR A 35 9.817 1.457 -0.708 1.00 0.00 H new ATOM 0 HA TYR A 35 9.245 2.700 -3.239 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.459 0.072 -1.939 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.934 0.541 -3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.503 0.606 -5.402 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.824 -0.558 -1.528 1.00 0.00 H new ATOM 0 HE1 TYR A 35 11.550 -0.315 -6.380 1.00 0.00 H new ATOM 0 HE2 TYR A 35 12.871 -1.485 -2.517 1.00 0.00 H new ATOM 0 HH TYR A 35 14.025 -1.855 -4.340 1.00 0.00 H new ATOM 500 N GLY A 36 7.159 2.988 -0.877 1.00 0.00 N ATOM 501 CA GLY A 36 5.875 3.480 -0.488 1.00 0.00 C ATOM 502 C GLY A 36 4.832 2.403 -0.508 1.00 0.00 C ATOM 503 O GLY A 36 4.888 1.466 0.279 1.00 0.00 O ATOM 0 H GLY A 36 7.830 2.901 -0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.938 3.905 0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.577 4.286 -1.159 1.00 0.00 H new ATOM 507 N GLY A 37 3.931 2.496 -1.440 1.00 0.00 N ATOM 508 CA GLY A 37 2.853 1.579 -1.516 1.00 0.00 C ATOM 509 C GLY A 37 2.060 1.791 -2.763 1.00 0.00 C ATOM 510 O GLY A 37 2.385 2.685 -3.561 1.00 0.00 O ATOM 0 H GLY A 37 3.930 3.213 -2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.236 0.559 -1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.208 1.697 -0.645 1.00 0.00 H new ATOM 514 N ALA A 38 1.046 0.995 -2.942 1.00 0.00 N ATOM 515 CA ALA A 38 0.169 1.080 -4.078 1.00 0.00 C ATOM 516 C ALA A 38 -1.182 0.521 -3.698 1.00 0.00 C ATOM 517 O ALA A 38 -1.314 -0.165 -2.673 1.00 0.00 O ATOM 518 CB ALA A 38 0.747 0.317 -5.260 1.00 0.00 C ATOM 0 H ALA A 38 0.799 0.252 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 38 0.062 2.123 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.068 0.394 -6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.714 0.741 -5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.873 -0.731 -4.990 1.00 0.00 H new ATOM 524 N CYS A 39 -2.163 0.796 -4.496 1.00 0.00 N ATOM 525 CA CYS A 39 -3.500 0.336 -4.250 1.00 0.00 C ATOM 526 C CYS A 39 -3.704 -0.996 -4.968 1.00 0.00 C ATOM 527 O CYS A 39 -3.530 -1.083 -6.185 1.00 0.00 O ATOM 528 CB CYS A 39 -4.505 1.363 -4.775 1.00 0.00 C ATOM 529 SG CYS A 39 -4.334 3.064 -4.104 1.00 0.00 S ATOM 0 H CYS A 39 -2.062 1.351 -5.346 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.653 0.206 -3.179 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.414 1.410 -5.860 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.511 1.005 -4.554 1.00 0.00 H new ATOM 534 N HIS A 40 -4.045 -2.025 -4.236 1.00 0.00 N ATOM 535 CA HIS A 40 -4.252 -3.328 -4.830 1.00 0.00 C ATOM 536 C HIS A 40 -5.484 -3.969 -4.187 1.00 0.00 C ATOM 537 O HIS A 40 -5.793 -3.690 -3.026 1.00 0.00 O ATOM 538 CB HIS A 40 -2.997 -4.197 -4.631 1.00 0.00 C ATOM 539 CG HIS A 40 -2.948 -5.426 -5.493 1.00 0.00 C ATOM 540 ND1 HIS A 40 -3.148 -6.703 -5.030 1.00 0.00 N ATOM 541 CD2 HIS A 40 -2.683 -5.547 -6.818 1.00 0.00 C ATOM 542 CE1 HIS A 40 -3.004 -7.549 -6.053 1.00 0.00 C ATOM 543 NE2 HIS A 40 -2.719 -6.894 -7.170 1.00 0.00 N ATOM 0 H HIS A 40 -4.186 -1.990 -3.226 1.00 0.00 H new ATOM 0 HA HIS A 40 -4.423 -3.236 -5.902 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.114 -3.590 -4.834 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.942 -4.499 -3.585 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.477 -4.729 -7.492 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.106 -8.622 -5.980 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.559 -7.294 -8.095 1.00 0.00 H new ATOM 551 N TYR A 41 -6.198 -4.778 -4.930 1.00 0.00 N ATOM 552 CA TYR A 41 -7.411 -5.391 -4.430 1.00 0.00 C ATOM 553 C TYR A 41 -7.098 -6.580 -3.560 1.00 0.00 C ATOM 554 O TYR A 41 -6.275 -7.423 -3.905 1.00 0.00 O ATOM 555 CB TYR A 41 -8.345 -5.814 -5.579 1.00 0.00 C ATOM 556 CG TYR A 41 -9.738 -6.221 -5.109 1.00 0.00 C ATOM 557 CD1 TYR A 41 -10.012 -7.506 -4.652 1.00 0.00 C ATOM 558 CD2 TYR A 41 -10.772 -5.305 -5.112 1.00 0.00 C ATOM 559 CE1 TYR A 41 -11.267 -7.852 -4.214 1.00 0.00 C ATOM 560 CE2 TYR A 41 -12.030 -5.647 -4.678 1.00 0.00 C ATOM 561 CZ TYR A 41 -12.273 -6.920 -4.228 1.00 0.00 C ATOM 562 OH TYR A 41 -13.523 -7.259 -3.783 1.00 0.00 O ATOM 0 H TYR A 41 -5.961 -5.031 -5.889 1.00 0.00 H new ATOM 0 HA TYR A 41 -7.925 -4.641 -3.829 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.435 -4.990 -6.286 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.893 -6.648 -6.117 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.224 -8.245 -4.641 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.588 -4.300 -5.462 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -11.461 -8.854 -3.860 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.825 -4.916 -4.691 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.781 -6.664 -3.048 1.00 0.00 H new ATOM 572 N GLN A 42 -7.749 -6.638 -2.438 1.00 0.00 N ATOM 573 CA GLN A 42 -7.648 -7.760 -1.554 1.00 0.00 C ATOM 574 C GLN A 42 -9.000 -8.101 -1.031 1.00 0.00 C ATOM 575 O GLN A 42 -9.653 -9.033 -1.502 1.00 0.00 O ATOM 576 CB GLN A 42 -6.646 -7.509 -0.426 1.00 0.00 C ATOM 577 CG GLN A 42 -6.604 -8.611 0.624 1.00 0.00 C ATOM 578 CD GLN A 42 -5.463 -8.440 1.593 1.00 0.00 C ATOM 579 OE1 GLN A 42 -5.602 -7.791 2.628 1.00 0.00 O ATOM 580 NE2 GLN A 42 -4.335 -9.007 1.271 1.00 0.00 N ATOM 0 H GLN A 42 -8.371 -5.901 -2.107 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.264 -8.613 -2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.651 -7.394 -0.857 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.893 -6.566 0.062 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.545 -8.621 1.174 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.514 -9.578 0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.260 -9.537 0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.527 -8.921 1.887 1.00 0.00 H new ATOM 589 N PHE A 43 -9.418 -7.314 -0.123 1.00 0.00 N ATOM 590 CA PHE A 43 -10.685 -7.440 0.521 1.00 0.00 C ATOM 591 C PHE A 43 -10.846 -6.235 1.448 1.00 0.00 C ATOM 592 O PHE A 43 -9.866 -5.808 2.065 1.00 0.00 O ATOM 593 CB PHE A 43 -10.754 -8.759 1.327 1.00 0.00 C ATOM 594 CG PHE A 43 -12.116 -9.090 1.873 1.00 0.00 C ATOM 595 CD1 PHE A 43 -13.098 -9.597 1.040 1.00 0.00 C ATOM 596 CD2 PHE A 43 -12.411 -8.909 3.212 1.00 0.00 C ATOM 597 CE1 PHE A 43 -14.346 -9.915 1.530 1.00 0.00 C ATOM 598 CE2 PHE A 43 -13.660 -9.224 3.708 1.00 0.00 C ATOM 599 CZ PHE A 43 -14.629 -9.727 2.865 1.00 0.00 C ATOM 0 H PHE A 43 -8.870 -6.523 0.216 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.489 -7.466 -0.215 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.425 -9.578 0.687 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.049 -8.700 2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.883 -9.745 -0.008 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -11.656 -8.517 3.877 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -15.102 -10.311 0.868 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -13.878 -9.077 4.755 1.00 0.00 H new ATOM 0 HZ PHE A 43 -15.607 -9.973 3.251 1.00 0.00 H new ATOM 609 N PRO A 44 -12.029 -5.605 1.500 1.00 0.00 N ATOM 610 CA PRO A 44 -13.184 -5.951 0.659 1.00 0.00 C ATOM 611 C PRO A 44 -13.222 -5.086 -0.609 1.00 0.00 C ATOM 612 O PRO A 44 -14.190 -5.090 -1.364 1.00 0.00 O ATOM 613 CB PRO A 44 -14.348 -5.581 1.572 1.00 0.00 C ATOM 614 CG PRO A 44 -13.865 -4.366 2.301 1.00 0.00 C ATOM 615 CD PRO A 44 -12.366 -4.514 2.443 1.00 0.00 C ATOM 0 HA PRO A 44 -13.182 -6.986 0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.252 -5.370 1.001 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.588 -6.391 2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.114 -3.459 1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.341 -4.286 3.278 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.847 -3.590 2.188 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.084 -4.767 3.465 1.00 0.00 H new ATOM 623 N SER A 45 -12.164 -4.349 -0.815 1.00 0.00 N ATOM 624 CA SER A 45 -12.052 -3.437 -1.904 1.00 0.00 C ATOM 625 C SER A 45 -10.565 -3.242 -2.171 1.00 0.00 C ATOM 626 O SER A 45 -9.725 -3.910 -1.521 1.00 0.00 O ATOM 627 CB SER A 45 -12.734 -2.096 -1.508 1.00 0.00 C ATOM 628 OG SER A 45 -12.802 -1.169 -2.592 1.00 0.00 O ATOM 0 H SER A 45 -11.341 -4.372 -0.213 1.00 0.00 H new ATOM 0 HA SER A 45 -12.542 -3.810 -2.804 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.742 -2.299 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.184 -1.644 -0.683 1.00 0.00 H new ATOM 0 HG SER A 45 -13.363 -0.407 -2.336 1.00 0.00 H new ATOM 634 N VAL A 46 -10.241 -2.412 -3.145 1.00 0.00 N ATOM 635 CA VAL A 46 -8.872 -2.038 -3.418 1.00 0.00 C ATOM 636 C VAL A 46 -8.318 -1.322 -2.184 1.00 0.00 C ATOM 637 O VAL A 46 -8.871 -0.312 -1.748 1.00 0.00 O ATOM 638 CB VAL A 46 -8.771 -1.121 -4.665 1.00 0.00 C ATOM 639 CG1 VAL A 46 -7.335 -0.779 -4.953 1.00 0.00 C ATOM 640 CG2 VAL A 46 -9.397 -1.787 -5.882 1.00 0.00 C ATOM 0 H VAL A 46 -10.923 -1.979 -3.768 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.290 -2.934 -3.632 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.319 -0.203 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.283 -0.135 -5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.906 -0.259 -4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.774 -1.694 -5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.313 -1.124 -6.743 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.878 -2.722 -6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.449 -1.993 -5.683 1.00 0.00 H new ATOM 650 N LYS A 47 -7.262 -1.848 -1.626 1.00 0.00 N ATOM 651 CA LYS A 47 -6.726 -1.356 -0.385 1.00 0.00 C ATOM 652 C LYS A 47 -5.286 -0.873 -0.610 1.00 0.00 C ATOM 653 O LYS A 47 -4.684 -1.178 -1.640 1.00 0.00 O ATOM 654 CB LYS A 47 -6.784 -2.493 0.658 1.00 0.00 C ATOM 655 CG LYS A 47 -6.547 -2.078 2.103 1.00 0.00 C ATOM 656 CD LYS A 47 -7.637 -1.137 2.600 1.00 0.00 C ATOM 657 CE LYS A 47 -7.435 -0.746 4.055 1.00 0.00 C ATOM 658 NZ LYS A 47 -7.482 -1.912 4.963 1.00 0.00 N ATOM 0 H LYS A 47 -6.746 -2.634 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.309 -0.512 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.761 -2.971 0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.042 -3.245 0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.514 -2.964 2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.576 -1.589 2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.650 -0.239 1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.609 -1.616 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.474 -0.243 4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.204 -0.031 4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.544 -1.583 5.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.315 -2.493 4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.620 -2.481 4.842 1.00 0.00 H new ATOM 672 N CYS A 48 -4.765 -0.110 0.323 1.00 0.00 N ATOM 673 CA CYS A 48 -3.423 0.437 0.225 1.00 0.00 C ATOM 674 C CYS A 48 -2.432 -0.536 0.826 1.00 0.00 C ATOM 675 O CYS A 48 -2.548 -0.919 1.999 1.00 0.00 O ATOM 676 CB CYS A 48 -3.359 1.789 0.952 1.00 0.00 C ATOM 677 SG CYS A 48 -1.713 2.590 1.033 1.00 0.00 S ATOM 0 H CYS A 48 -5.258 0.152 1.176 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.169 0.593 -0.823 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.049 2.475 0.461 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.721 1.647 1.970 1.00 0.00 H new ATOM 682 N PHE A 49 -1.495 -0.961 0.033 1.00 0.00 N ATOM 683 CA PHE A 49 -0.485 -1.876 0.477 1.00 0.00 C ATOM 684 C PHE A 49 0.865 -1.288 0.259 1.00 0.00 C ATOM 685 O PHE A 49 1.179 -0.834 -0.838 1.00 0.00 O ATOM 686 CB PHE A 49 -0.582 -3.219 -0.244 1.00 0.00 C ATOM 687 CG PHE A 49 -1.821 -3.988 0.073 1.00 0.00 C ATOM 688 CD1 PHE A 49 -1.881 -4.783 1.201 1.00 0.00 C ATOM 689 CD2 PHE A 49 -2.926 -3.915 -0.751 1.00 0.00 C ATOM 690 CE1 PHE A 49 -3.017 -5.489 1.501 1.00 0.00 C ATOM 691 CE2 PHE A 49 -4.065 -4.618 -0.456 1.00 0.00 C ATOM 692 CZ PHE A 49 -4.111 -5.406 0.673 1.00 0.00 C ATOM 0 H PHE A 49 -1.408 -0.682 -0.944 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.644 -2.053 1.541 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.538 -3.047 -1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.286 -3.824 0.017 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.023 -4.849 1.854 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.893 -3.298 -1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.052 -6.108 2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.924 -4.554 -1.107 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.008 -5.959 0.908 1.00 0.00 H new ATOM 702 N CYS A 50 1.649 -1.291 1.285 1.00 0.00 N ATOM 703 CA CYS A 50 2.987 -0.802 1.233 1.00 0.00 C ATOM 704 C CYS A 50 3.854 -1.814 0.530 1.00 0.00 C ATOM 705 O CYS A 50 3.654 -3.024 0.679 1.00 0.00 O ATOM 706 CB CYS A 50 3.505 -0.537 2.637 1.00 0.00 C ATOM 707 SG CYS A 50 2.612 0.775 3.527 1.00 0.00 S ATOM 0 H CYS A 50 1.372 -1.641 2.202 1.00 0.00 H new ATOM 0 HA CYS A 50 3.012 0.138 0.681 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.443 -1.459 3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.560 -0.268 2.578 1.00 0.00 H new ATOM 712 N LYS A 51 4.785 -1.342 -0.236 1.00 0.00 N ATOM 713 CA LYS A 51 5.625 -2.207 -1.013 1.00 0.00 C ATOM 714 C LYS A 51 6.970 -2.349 -0.360 1.00 0.00 C ATOM 715 O LYS A 51 7.732 -1.379 -0.261 1.00 0.00 O ATOM 716 CB LYS A 51 5.797 -1.663 -2.426 1.00 0.00 C ATOM 717 CG LYS A 51 4.519 -1.549 -3.237 1.00 0.00 C ATOM 718 CD LYS A 51 3.862 -2.898 -3.495 1.00 0.00 C ATOM 719 CE LYS A 51 2.599 -2.725 -4.321 1.00 0.00 C ATOM 720 NZ LYS A 51 1.960 -4.008 -4.640 1.00 0.00 N ATOM 0 H LYS A 51 4.987 -0.348 -0.343 1.00 0.00 H new ATOM 0 HA LYS A 51 5.147 -3.185 -1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.258 -0.677 -2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.493 -2.307 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.817 -0.903 -2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.741 -1.070 -4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.558 -3.554 -4.017 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.621 -3.379 -2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.895 -2.097 -3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.842 -2.203 -5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.974 -3.843 -4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.474 -4.468 -5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.979 -4.623 -3.802 1.00 0.00 H new ATOM 734 N ARG A 52 7.252 -3.524 0.121 1.00 0.00 N ATOM 735 CA ARG A 52 8.541 -3.762 0.716 1.00 0.00 C ATOM 736 C ARG A 52 9.456 -4.447 -0.272 1.00 0.00 C ATOM 737 O ARG A 52 8.998 -5.227 -1.111 1.00 0.00 O ATOM 738 CB ARG A 52 8.464 -4.547 2.032 1.00 0.00 C ATOM 739 CG ARG A 52 8.062 -6.003 1.894 1.00 0.00 C ATOM 740 CD ARG A 52 8.042 -6.700 3.243 1.00 0.00 C ATOM 741 NE ARG A 52 9.331 -6.611 3.937 1.00 0.00 N ATOM 742 CZ ARG A 52 9.484 -6.598 5.268 1.00 0.00 C ATOM 743 NH1 ARG A 52 8.436 -6.774 6.063 1.00 0.00 N ATOM 744 NH2 ARG A 52 10.692 -6.459 5.795 1.00 0.00 N ATOM 0 H ARG A 52 6.620 -4.324 0.116 1.00 0.00 H new ATOM 0 HA ARG A 52 8.956 -2.787 0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.437 -4.500 2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.751 -4.051 2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.076 -6.068 1.434 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.759 -6.513 1.229 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.265 -6.257 3.866 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.779 -7.749 3.103 1.00 0.00 H new ATOM 0 HE ARG A 52 10.173 -6.555 3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.510 -6.920 5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.557 -6.763 7.076 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.505 -6.362 5.187 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.808 -6.449 6.808 1.00 0.00 H new ATOM 758 N GLN A 53 10.727 -4.165 -0.157 1.00 0.00 N ATOM 759 CA GLN A 53 11.723 -4.697 -1.050 1.00 0.00 C ATOM 760 C GLN A 53 12.014 -6.152 -0.709 1.00 0.00 C ATOM 761 O GLN A 53 12.423 -6.468 0.413 1.00 0.00 O ATOM 762 CB GLN A 53 12.996 -3.857 -0.952 1.00 0.00 C ATOM 763 CG GLN A 53 14.084 -4.257 -1.934 1.00 0.00 C ATOM 764 CD GLN A 53 15.270 -3.318 -1.914 1.00 0.00 C ATOM 765 OE1 GLN A 53 15.132 -2.123 -1.638 1.00 0.00 O ATOM 766 NE2 GLN A 53 16.429 -3.831 -2.211 1.00 0.00 N ATOM 0 H GLN A 53 11.104 -3.553 0.567 1.00 0.00 H new ATOM 0 HA GLN A 53 11.349 -4.656 -2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.741 -2.810 -1.117 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.391 -3.933 0.061 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.423 -5.267 -1.702 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.666 -4.285 -2.940 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.505 -4.823 -2.434 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.261 -3.241 -2.221 1.00 0.00 H new ATOM 775 N CYS A 54 11.781 -7.019 -1.635 1.00 0.00 N ATOM 776 CA CYS A 54 12.036 -8.411 -1.453 1.00 0.00 C ATOM 777 C CYS A 54 13.048 -8.874 -2.478 1.00 0.00 C ATOM 778 O CYS A 54 14.230 -9.042 -2.105 1.00 0.00 O ATOM 779 CB CYS A 54 10.735 -9.214 -1.520 1.00 0.00 C ATOM 780 SG CYS A 54 9.529 -8.747 -0.218 1.00 0.00 S ATOM 781 OXT CYS A 54 12.710 -8.999 -3.668 1.00 0.00 O ATOM 0 H CYS A 54 11.403 -6.780 -2.552 1.00 0.00 H new ATOM 0 HA CYS A 54 12.456 -8.580 -0.462 1.00 0.00 H new ATOM 0 HB2 CYS A 54 10.277 -9.070 -2.499 1.00 0.00 H new ATOM 0 HB3 CYS A 54 10.966 -10.275 -1.429 1.00 0.00 H new TER 786 CYS A 54