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 Set 1.1: A 16 HIS : no HE2:sc= 0.179 K(o=0.74,f=-3.8!) USER MOD Set 1.2: A 45 SER OG : rot 180:sc= 0.561 USER MOD Set 2.1: A 10 SER OG : rot -25:sc= 1.22 USER MOD Set 2.2: A 26 GLN : amide:sc= -2.34 K(o=-1.1,f=-2.7!) USER MOD Single : A 1 ASP N :NH3+ -115:sc= 0.279 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 42:sc= 0.1 USER MOD Single : A 19 SER OG : rot 180:sc= -0.111 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+ -168:sc= -0.0448 (180deg=-0.277) USER MOD Single : A 24 SER OG : rot -44:sc= 1.24 USER MOD Single : A 25 GLN : amide:sc=-0.00538 X(o=-0.0054,f=-0.32) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.0538 X(o=-0.054,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= 1.23 (180deg=0.944) USER MOD Single : A 53 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 10.757 -2.629 -11.561 1.00 0.00 N ATOM 2 CA ASP A 1 11.280 -3.870 -12.129 1.00 0.00 C ATOM 3 C ASP A 1 10.624 -4.984 -11.368 1.00 0.00 C ATOM 4 O ASP A 1 9.839 -4.711 -10.459 1.00 0.00 O ATOM 5 CB ASP A 1 12.803 -3.946 -11.930 1.00 0.00 C ATOM 6 CG ASP A 1 13.492 -4.861 -12.912 1.00 0.00 C ATOM 7 OD1 ASP A 1 13.491 -6.098 -12.715 1.00 0.00 O ATOM 8 OD2 ASP A 1 14.039 -4.359 -13.907 1.00 0.00 O ATOM 0 H1 ASP A 1 10.199 -2.126 -12.280 1.00 0.00 H new ATOM 0 H2 ASP A 1 10.152 -2.849 -10.744 1.00 0.00 H new ATOM 0 H3 ASP A 1 11.548 -2.028 -11.254 1.00 0.00 H new ATOM 0 HA ASP A 1 11.076 -3.930 -13.198 1.00 0.00 H new ATOM 0 HB2 ASP A 1 13.224 -2.945 -12.021 1.00 0.00 H new ATOM 0 HB3 ASP A 1 13.013 -4.289 -10.917 1.00 0.00 H new ATOM 15 N GLY A 2 10.975 -6.211 -11.658 1.00 0.00 N ATOM 16 CA GLY A 2 10.379 -7.335 -10.989 1.00 0.00 C ATOM 17 C GLY A 2 11.140 -7.697 -9.740 1.00 0.00 C ATOM 18 O GLY A 2 11.465 -8.865 -9.514 1.00 0.00 O ATOM 0 H GLY A 2 11.675 -6.456 -12.358 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.346 -7.102 -10.733 1.00 0.00 H new ATOM 0 HA3 GLY A 2 10.355 -8.191 -11.663 1.00 0.00 H new ATOM 22 N VAL A 3 11.427 -6.697 -8.932 1.00 0.00 N ATOM 23 CA VAL A 3 12.139 -6.886 -7.695 1.00 0.00 C ATOM 24 C VAL A 3 11.136 -7.398 -6.662 1.00 0.00 C ATOM 25 O VAL A 3 9.941 -7.077 -6.753 1.00 0.00 O ATOM 26 CB VAL A 3 12.844 -5.553 -7.216 1.00 0.00 C ATOM 27 CG1 VAL A 3 11.848 -4.455 -6.890 1.00 0.00 C ATOM 28 CG2 VAL A 3 13.781 -5.805 -6.038 1.00 0.00 C ATOM 0 H VAL A 3 11.170 -5.728 -9.120 1.00 0.00 H new ATOM 0 HA VAL A 3 12.941 -7.612 -7.831 1.00 0.00 H new ATOM 0 HB VAL A 3 13.444 -5.204 -8.057 1.00 0.00 H new ATOM 0 HG11 VAL A 3 12.383 -3.562 -6.566 1.00 0.00 H new ATOM 0 HG12 VAL A 3 11.259 -4.223 -7.777 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.186 -4.790 -6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 3 14.247 -4.867 -5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 3 13.213 -6.213 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 3 14.553 -6.515 -6.333 1.00 0.00 H new ATOM 38 N LYS A 4 11.579 -8.221 -5.744 1.00 0.00 N ATOM 39 CA LYS A 4 10.683 -8.786 -4.762 1.00 0.00 C ATOM 40 C LYS A 4 10.239 -7.750 -3.752 1.00 0.00 C ATOM 41 O LYS A 4 10.969 -7.412 -2.807 1.00 0.00 O ATOM 42 CB LYS A 4 11.294 -10.006 -4.063 1.00 0.00 C ATOM 43 CG LYS A 4 11.664 -11.142 -5.001 1.00 0.00 C ATOM 44 CD LYS A 4 10.462 -11.646 -5.773 1.00 0.00 C ATOM 45 CE LYS A 4 10.850 -12.733 -6.758 1.00 0.00 C ATOM 46 NZ LYS A 4 9.677 -13.232 -7.505 1.00 0.00 N ATOM 0 H LYS A 4 12.552 -8.515 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 4 9.800 -9.127 -5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.187 -9.691 -3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.587 -10.378 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.429 -10.803 -5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.097 -11.961 -4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.717 -12.033 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.998 -10.817 -6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.590 -12.344 -7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.320 -13.558 -6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.978 -13.974 -8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.983 -13.625 -6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.244 -12.449 -8.034 1.00 0.00 H new ATOM 60 N LEU A 5 9.091 -7.196 -3.995 1.00 0.00 N ATOM 61 CA LEU A 5 8.493 -6.286 -3.080 1.00 0.00 C ATOM 62 C LEU A 5 7.294 -6.931 -2.536 1.00 0.00 C ATOM 63 O LEU A 5 6.414 -7.353 -3.289 1.00 0.00 O ATOM 64 CB LEU A 5 8.070 -4.993 -3.735 1.00 0.00 C ATOM 65 CG LEU A 5 9.131 -4.244 -4.485 1.00 0.00 C ATOM 66 CD1 LEU A 5 8.524 -3.035 -5.150 1.00 0.00 C ATOM 67 CD2 LEU A 5 10.266 -3.839 -3.562 1.00 0.00 C ATOM 0 H LEU A 5 8.544 -7.366 -4.839 1.00 0.00 H new ATOM 0 HA LEU A 5 9.229 -6.043 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.254 -5.211 -4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.669 -4.335 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 5 9.547 -4.898 -5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.297 -2.493 -5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.747 -3.354 -5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.088 -2.383 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 5 11.022 -3.298 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 5 9.880 -3.198 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 5 10.713 -4.730 -3.122 1.00 0.00 H new ATOM 79 N CYS A 6 7.240 -7.014 -1.286 1.00 0.00 N ATOM 80 CA CYS A 6 6.139 -7.625 -0.636 1.00 0.00 C ATOM 81 C CYS A 6 5.191 -6.569 -0.155 1.00 0.00 C ATOM 82 O CYS A 6 5.618 -5.528 0.421 1.00 0.00 O ATOM 83 CB CYS A 6 6.590 -8.573 0.471 1.00 0.00 C ATOM 84 SG CYS A 6 7.443 -10.083 -0.145 1.00 0.00 S ATOM 0 H CYS A 6 7.961 -6.660 -0.657 1.00 0.00 H new ATOM 0 HA CYS A 6 5.604 -8.251 -1.351 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.260 -8.038 1.144 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.721 -8.872 1.057 1.00 0.00 H new ATOM 89 N ASP A 7 3.931 -6.796 -0.443 1.00 0.00 N ATOM 90 CA ASP A 7 2.872 -5.865 -0.154 1.00 0.00 C ATOM 91 C ASP A 7 2.399 -5.999 1.271 1.00 0.00 C ATOM 92 O ASP A 7 1.931 -7.066 1.703 1.00 0.00 O ATOM 93 CB ASP A 7 1.703 -6.043 -1.132 1.00 0.00 C ATOM 94 CG ASP A 7 2.065 -5.683 -2.552 1.00 0.00 C ATOM 95 OD1 ASP A 7 2.136 -4.498 -2.878 1.00 0.00 O ATOM 96 OD2 ASP A 7 2.294 -6.601 -3.380 1.00 0.00 O ATOM 0 H ASP A 7 3.609 -7.652 -0.894 1.00 0.00 H new ATOM 0 HA ASP A 7 3.273 -4.859 -0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.364 -7.078 -1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.867 -5.424 -0.807 1.00 0.00 H new ATOM 101 N VAL A 8 2.563 -4.942 2.002 1.00 0.00 N ATOM 102 CA VAL A 8 2.166 -4.850 3.387 1.00 0.00 C ATOM 103 C VAL A 8 0.998 -3.856 3.473 1.00 0.00 C ATOM 104 O VAL A 8 1.185 -2.676 3.251 1.00 0.00 O ATOM 105 CB VAL A 8 3.354 -4.338 4.260 1.00 0.00 C ATOM 106 CG1 VAL A 8 2.989 -4.289 5.730 1.00 0.00 C ATOM 107 CG2 VAL A 8 4.599 -5.196 4.054 1.00 0.00 C ATOM 0 H VAL A 8 2.990 -4.087 1.647 1.00 0.00 H new ATOM 0 HA VAL A 8 1.869 -5.831 3.757 1.00 0.00 H new ATOM 0 HB VAL A 8 3.575 -3.322 3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.842 -3.928 6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.144 -3.616 5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.719 -5.288 6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.410 -4.815 4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.381 -6.227 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.897 -5.160 3.006 1.00 0.00 H new ATOM 117 N PRO A 9 -0.218 -4.323 3.750 1.00 0.00 N ATOM 118 CA PRO A 9 -1.406 -3.460 3.752 1.00 0.00 C ATOM 119 C PRO A 9 -1.371 -2.390 4.842 1.00 0.00 C ATOM 120 O PRO A 9 -1.097 -2.686 6.008 1.00 0.00 O ATOM 121 CB PRO A 9 -2.559 -4.428 4.004 1.00 0.00 C ATOM 122 CG PRO A 9 -1.936 -5.615 4.655 1.00 0.00 C ATOM 123 CD PRO A 9 -0.544 -5.716 4.106 1.00 0.00 C ATOM 0 HA PRO A 9 -1.488 -2.905 2.818 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.317 -3.979 4.646 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.053 -4.704 3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.919 -5.499 5.739 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.505 -6.519 4.440 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.151 -6.116 4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.501 -6.374 3.238 1.00 0.00 H new ATOM 131 N SER A 10 -1.636 -1.159 4.460 1.00 0.00 N ATOM 132 CA SER A 10 -1.708 -0.080 5.400 1.00 0.00 C ATOM 133 C SER A 10 -2.996 -0.210 6.219 1.00 0.00 C ATOM 134 O SER A 10 -4.094 -0.268 5.654 1.00 0.00 O ATOM 135 CB SER A 10 -1.713 1.250 4.654 1.00 0.00 C ATOM 136 OG SER A 10 -0.576 1.404 3.825 1.00 0.00 O ATOM 0 H SER A 10 -1.806 -0.887 3.492 1.00 0.00 H new ATOM 0 HA SER A 10 -0.845 -0.117 6.064 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.615 1.320 4.046 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.749 2.068 5.374 1.00 0.00 H new ATOM 0 HG SER A 10 0.160 0.860 4.175 1.00 0.00 H new ATOM 142 N GLY A 11 -2.855 -0.288 7.522 1.00 0.00 N ATOM 143 CA GLY A 11 -4.000 -0.365 8.392 1.00 0.00 C ATOM 144 C GLY A 11 -4.534 1.015 8.688 1.00 0.00 C ATOM 145 O GLY A 11 -5.752 1.213 8.827 1.00 0.00 O ATOM 0 H GLY A 11 -1.955 -0.300 8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.778 -0.970 7.926 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.724 -0.862 9.322 1.00 0.00 H new ATOM 149 N THR A 12 -3.616 1.965 8.789 1.00 0.00 N ATOM 150 CA THR A 12 -3.948 3.361 9.008 1.00 0.00 C ATOM 151 C THR A 12 -4.781 3.917 7.830 1.00 0.00 C ATOM 152 O THR A 12 -5.707 4.716 8.036 1.00 0.00 O ATOM 153 CB THR A 12 -2.664 4.213 9.305 1.00 0.00 C ATOM 154 OG1 THR A 12 -2.949 5.622 9.360 1.00 0.00 O ATOM 155 CG2 THR A 12 -1.564 3.940 8.299 1.00 0.00 C ATOM 0 H THR A 12 -2.614 1.786 8.721 1.00 0.00 H new ATOM 0 HA THR A 12 -4.573 3.434 9.898 1.00 0.00 H new ATOM 0 HB THR A 12 -2.313 3.903 10.289 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.124 6.116 9.548 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.692 4.549 8.539 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.291 2.885 8.335 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.916 4.189 7.298 1.00 0.00 H new ATOM 163 N TRP A 13 -4.466 3.475 6.604 1.00 0.00 N ATOM 164 CA TRP A 13 -5.279 3.808 5.451 1.00 0.00 C ATOM 165 C TRP A 13 -6.565 3.001 5.562 1.00 0.00 C ATOM 166 O TRP A 13 -6.555 1.773 5.428 1.00 0.00 O ATOM 167 CB TRP A 13 -4.542 3.451 4.139 1.00 0.00 C ATOM 168 CG TRP A 13 -5.244 3.867 2.850 1.00 0.00 C ATOM 169 CD1 TRP A 13 -6.403 3.356 2.324 1.00 0.00 C ATOM 170 CD2 TRP A 13 -4.781 4.842 1.898 1.00 0.00 C ATOM 171 NE1 TRP A 13 -6.701 3.982 1.133 1.00 0.00 N ATOM 172 CE2 TRP A 13 -5.719 4.887 0.846 1.00 0.00 C ATOM 173 CE3 TRP A 13 -3.675 5.685 1.840 1.00 0.00 C ATOM 174 CZ2 TRP A 13 -5.575 5.742 -0.244 1.00 0.00 C ATOM 175 CZ3 TRP A 13 -3.530 6.530 0.759 1.00 0.00 C ATOM 176 CH2 TRP A 13 -4.476 6.552 -0.271 1.00 0.00 C ATOM 0 H TRP A 13 -3.656 2.890 6.397 1.00 0.00 H new ATOM 0 HA TRP A 13 -5.487 4.878 5.429 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -3.556 3.916 4.160 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.386 2.373 4.114 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.996 2.576 2.778 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -7.523 3.799 0.558 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.940 5.678 2.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.306 5.764 -1.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.673 7.185 0.707 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.334 7.224 -1.105 1.00 0.00 H new ATOM 187 N SER A 14 -7.634 3.654 5.851 1.00 0.00 N ATOM 188 CA SER A 14 -8.881 2.987 5.986 1.00 0.00 C ATOM 189 C SER A 14 -9.762 3.232 4.777 1.00 0.00 C ATOM 190 O SER A 14 -10.245 4.349 4.562 1.00 0.00 O ATOM 191 CB SER A 14 -9.552 3.426 7.281 1.00 0.00 C ATOM 192 OG SER A 14 -9.537 4.844 7.405 1.00 0.00 O ATOM 0 H SER A 14 -7.670 4.662 6.000 1.00 0.00 H new ATOM 0 HA SER A 14 -8.713 1.911 6.036 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.581 3.066 7.303 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.039 2.977 8.132 1.00 0.00 H new ATOM 0 HG SER A 14 -9.757 5.250 6.541 1.00 0.00 H new ATOM 198 N GLY A 15 -9.928 2.222 3.971 1.00 0.00 N ATOM 199 CA GLY A 15 -10.775 2.349 2.838 1.00 0.00 C ATOM 200 C GLY A 15 -10.094 1.968 1.558 1.00 0.00 C ATOM 201 O GLY A 15 -8.993 1.403 1.561 1.00 0.00 O ATOM 0 H GLY A 15 -9.487 1.309 4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.656 1.722 2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.125 3.379 2.765 1.00 0.00 H new ATOM 205 N HIS A 16 -10.749 2.282 0.477 1.00 0.00 N ATOM 206 CA HIS A 16 -10.293 1.991 -0.861 1.00 0.00 C ATOM 207 C HIS A 16 -9.078 2.865 -1.249 1.00 0.00 C ATOM 208 O HIS A 16 -8.908 3.981 -0.745 1.00 0.00 O ATOM 209 CB HIS A 16 -11.480 2.196 -1.840 1.00 0.00 C ATOM 210 CG HIS A 16 -11.152 1.981 -3.283 1.00 0.00 C ATOM 211 ND1 HIS A 16 -10.924 0.751 -3.838 1.00 0.00 N ATOM 212 CD2 HIS A 16 -10.965 2.883 -4.277 1.00 0.00 C ATOM 213 CE1 HIS A 16 -10.597 0.930 -5.115 1.00 0.00 C ATOM 214 NE2 HIS A 16 -10.612 2.209 -5.436 1.00 0.00 N ATOM 0 H HIS A 16 -11.647 2.765 0.499 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.954 0.956 -0.913 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.284 1.515 -1.560 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -11.863 3.209 -1.717 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -10.993 -0.146 -3.357 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.073 3.953 -4.182 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.351 0.132 -5.800 1.00 0.00 H new ATOM 222 N CYS A 17 -8.236 2.332 -2.095 1.00 0.00 N ATOM 223 CA CYS A 17 -7.086 3.027 -2.615 1.00 0.00 C ATOM 224 C CYS A 17 -7.332 3.357 -4.065 1.00 0.00 C ATOM 225 O CYS A 17 -7.417 2.457 -4.908 1.00 0.00 O ATOM 226 CB CYS A 17 -5.841 2.146 -2.521 1.00 0.00 C ATOM 227 SG CYS A 17 -4.264 2.942 -3.022 1.00 0.00 S ATOM 0 H CYS A 17 -8.332 1.381 -2.450 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.928 3.934 -2.032 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.741 1.799 -1.493 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.995 1.264 -3.142 1.00 0.00 H new ATOM 232 N GLY A 18 -7.486 4.613 -4.354 1.00 0.00 N ATOM 233 CA GLY A 18 -7.644 5.031 -5.713 1.00 0.00 C ATOM 234 C GLY A 18 -6.708 6.159 -6.014 1.00 0.00 C ATOM 235 O GLY A 18 -7.022 7.066 -6.781 1.00 0.00 O ATOM 0 H GLY A 18 -7.506 5.366 -3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.447 4.195 -6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.673 5.345 -5.888 1.00 0.00 H new ATOM 239 N SER A 19 -5.563 6.138 -5.365 1.00 0.00 N ATOM 240 CA SER A 19 -4.559 7.164 -5.511 1.00 0.00 C ATOM 241 C SER A 19 -3.177 6.569 -5.229 1.00 0.00 C ATOM 242 O SER A 19 -2.826 6.302 -4.074 1.00 0.00 O ATOM 243 CB SER A 19 -4.876 8.331 -4.565 1.00 0.00 C ATOM 244 OG SER A 19 -6.166 8.870 -4.856 1.00 0.00 O ATOM 0 H SER A 19 -5.303 5.397 -4.714 1.00 0.00 H new ATOM 0 HA SER A 19 -4.560 7.548 -6.531 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.843 7.989 -3.531 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.118 9.108 -4.668 1.00 0.00 H new ATOM 0 HG SER A 19 -6.356 9.612 -4.245 1.00 0.00 H new ATOM 250 N SER A 20 -2.415 6.350 -6.286 1.00 0.00 N ATOM 251 CA SER A 20 -1.131 5.686 -6.195 1.00 0.00 C ATOM 252 C SER A 20 -0.086 6.514 -5.433 1.00 0.00 C ATOM 253 O SER A 20 0.499 6.024 -4.462 1.00 0.00 O ATOM 254 CB SER A 20 -0.643 5.330 -7.590 1.00 0.00 C ATOM 255 OG SER A 20 -1.660 4.633 -8.303 1.00 0.00 O ATOM 0 H SER A 20 -2.672 6.629 -7.233 1.00 0.00 H new ATOM 0 HA SER A 20 -1.269 4.773 -5.616 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.367 6.236 -8.129 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.253 4.713 -7.523 1.00 0.00 H new ATOM 0 HG SER A 20 -1.336 4.410 -9.201 1.00 0.00 H new ATOM 261 N SER A 21 0.110 7.772 -5.833 1.00 0.00 N ATOM 262 CA SER A 21 1.112 8.621 -5.202 1.00 0.00 C ATOM 263 C SER A 21 0.783 8.870 -3.741 1.00 0.00 C ATOM 264 O SER A 21 1.664 8.823 -2.890 1.00 0.00 O ATOM 265 CB SER A 21 1.275 9.940 -5.954 1.00 0.00 C ATOM 266 OG SER A 21 1.721 9.714 -7.283 1.00 0.00 O ATOM 0 H SER A 21 -0.411 8.220 -6.587 1.00 0.00 H new ATOM 0 HA SER A 21 2.063 8.090 -5.246 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.325 10.473 -5.971 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.988 10.576 -5.430 1.00 0.00 H new ATOM 0 HG SER A 21 1.817 10.572 -7.746 1.00 0.00 H new ATOM 272 N LYS A 22 -0.492 9.077 -3.452 1.00 0.00 N ATOM 273 CA LYS A 22 -0.929 9.298 -2.092 1.00 0.00 C ATOM 274 C LYS A 22 -0.678 8.067 -1.253 1.00 0.00 C ATOM 275 O LYS A 22 -0.290 8.178 -0.119 1.00 0.00 O ATOM 276 CB LYS A 22 -2.395 9.724 -2.031 1.00 0.00 C ATOM 277 CG LYS A 22 -2.655 11.066 -2.693 1.00 0.00 C ATOM 278 CD LYS A 22 -4.113 11.469 -2.605 1.00 0.00 C ATOM 279 CE LYS A 22 -4.358 12.811 -3.288 1.00 0.00 C ATOM 280 NZ LYS A 22 -3.551 13.904 -2.700 1.00 0.00 N ATOM 0 H LYS A 22 -1.240 9.096 -4.146 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.343 10.120 -1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.008 8.963 -2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.710 9.773 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.038 11.830 -2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.355 11.018 -3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.733 10.703 -3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.413 11.530 -1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.125 12.722 -4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.415 13.065 -3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.896 14.819 -3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.635 13.879 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.554 13.783 -2.969 1.00 0.00 H new ATOM 294 N CYS A 23 -0.853 6.898 -1.840 1.00 0.00 N ATOM 295 CA CYS A 23 -0.577 5.650 -1.145 1.00 0.00 C ATOM 296 C CYS A 23 0.922 5.537 -0.842 1.00 0.00 C ATOM 297 O CYS A 23 1.321 5.223 0.301 1.00 0.00 O ATOM 298 CB CYS A 23 -1.064 4.453 -1.966 1.00 0.00 C ATOM 299 SG CYS A 23 -0.679 2.826 -1.242 1.00 0.00 S ATOM 0 H CYS A 23 -1.185 6.784 -2.798 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.121 5.647 -0.200 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.144 4.532 -2.094 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.621 4.507 -2.960 1.00 0.00 H new ATOM 304 N SER A 24 1.748 5.862 -1.841 1.00 0.00 N ATOM 305 CA SER A 24 3.188 5.831 -1.696 1.00 0.00 C ATOM 306 C SER A 24 3.626 6.779 -0.573 1.00 0.00 C ATOM 307 O SER A 24 4.289 6.368 0.384 1.00 0.00 O ATOM 308 CB SER A 24 3.846 6.238 -3.020 1.00 0.00 C ATOM 309 OG SER A 24 3.385 5.426 -4.096 1.00 0.00 O ATOM 0 H SER A 24 1.429 6.152 -2.766 1.00 0.00 H new ATOM 0 HA SER A 24 3.501 4.819 -1.438 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.627 7.285 -3.231 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.929 6.150 -2.933 1.00 0.00 H new ATOM 0 HG SER A 24 3.365 4.488 -3.813 1.00 0.00 H new ATOM 315 N GLN A 25 3.188 8.021 -0.674 1.00 0.00 N ATOM 316 CA GLN A 25 3.524 9.069 0.277 1.00 0.00 C ATOM 317 C GLN A 25 2.988 8.758 1.671 1.00 0.00 C ATOM 318 O GLN A 25 3.665 8.999 2.657 1.00 0.00 O ATOM 319 CB GLN A 25 2.964 10.396 -0.219 1.00 0.00 C ATOM 320 CG GLN A 25 3.602 10.888 -1.508 1.00 0.00 C ATOM 321 CD GLN A 25 2.830 12.014 -2.153 1.00 0.00 C ATOM 322 OE1 GLN A 25 2.151 12.786 -1.488 1.00 0.00 O ATOM 323 NE2 GLN A 25 2.950 12.133 -3.446 1.00 0.00 N ATOM 0 H GLN A 25 2.580 8.336 -1.430 1.00 0.00 H new ATOM 0 HA GLN A 25 4.610 9.130 0.352 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.890 10.292 -0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.103 11.150 0.555 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.618 11.223 -1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.678 10.058 -2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.524 11.471 -3.968 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.470 12.888 -3.935 1.00 0.00 H new ATOM 332 N GLN A 26 1.783 8.215 1.738 1.00 0.00 N ATOM 333 CA GLN A 26 1.141 7.880 3.006 1.00 0.00 C ATOM 334 C GLN A 26 1.943 6.863 3.770 1.00 0.00 C ATOM 335 O GLN A 26 2.309 7.099 4.925 1.00 0.00 O ATOM 336 CB GLN A 26 -0.323 7.416 2.767 1.00 0.00 C ATOM 337 CG GLN A 26 -1.145 7.083 4.015 1.00 0.00 C ATOM 338 CD GLN A 26 -0.948 5.670 4.565 1.00 0.00 C ATOM 339 OE1 GLN A 26 -1.024 5.472 5.752 1.00 0.00 O ATOM 340 NE2 GLN A 26 -0.785 4.682 3.702 1.00 0.00 N ATOM 0 H GLN A 26 1.220 7.993 0.917 1.00 0.00 H new ATOM 0 HA GLN A 26 1.104 8.777 3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.843 8.198 2.214 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.301 6.534 2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.894 7.799 4.798 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.201 7.222 3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.724 4.882 2.704 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.720 3.720 4.035 1.00 0.00 H new ATOM 349 N CYS A 27 2.275 5.771 3.139 1.00 0.00 N ATOM 350 CA CYS A 27 2.951 4.739 3.865 1.00 0.00 C ATOM 351 C CYS A 27 4.420 5.078 4.074 1.00 0.00 C ATOM 352 O CYS A 27 5.014 4.684 5.078 1.00 0.00 O ATOM 353 CB CYS A 27 2.778 3.374 3.227 1.00 0.00 C ATOM 354 SG CYS A 27 3.291 2.037 4.338 1.00 0.00 S ATOM 0 H CYS A 27 2.095 5.577 2.154 1.00 0.00 H new ATOM 0 HA CYS A 27 2.481 4.685 4.847 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.734 3.234 2.948 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.362 3.326 2.308 1.00 0.00 H new ATOM 359 N LYS A 28 4.995 5.854 3.157 1.00 0.00 N ATOM 360 CA LYS A 28 6.387 6.250 3.281 1.00 0.00 C ATOM 361 C LYS A 28 6.536 7.292 4.396 1.00 0.00 C ATOM 362 O LYS A 28 7.600 7.422 5.008 1.00 0.00 O ATOM 363 CB LYS A 28 6.924 6.787 1.950 1.00 0.00 C ATOM 364 CG LYS A 28 8.426 6.980 1.935 1.00 0.00 C ATOM 365 CD LYS A 28 8.942 7.449 0.587 1.00 0.00 C ATOM 366 CE LYS A 28 8.516 8.871 0.267 1.00 0.00 C ATOM 367 NZ LYS A 28 9.104 9.340 -1.005 1.00 0.00 N ATOM 0 H LYS A 28 4.520 6.215 2.330 1.00 0.00 H new ATOM 0 HA LYS A 28 6.978 5.373 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.647 6.098 1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.442 7.740 1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.703 7.707 2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.912 6.041 2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.030 7.387 0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.577 6.779 -0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.429 8.921 0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.821 9.534 1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.793 10.314 -1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.142 9.315 -0.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.792 8.721 -1.781 1.00 0.00 H new ATOM 381 N ASP A 29 5.468 8.039 4.643 1.00 0.00 N ATOM 382 CA ASP A 29 5.451 8.992 5.743 1.00 0.00 C ATOM 383 C ASP A 29 5.282 8.266 7.042 1.00 0.00 C ATOM 384 O ASP A 29 6.026 8.493 7.998 1.00 0.00 O ATOM 385 CB ASP A 29 4.315 10.018 5.610 1.00 0.00 C ATOM 386 CG ASP A 29 4.266 10.984 6.789 1.00 0.00 C ATOM 387 OD1 ASP A 29 5.043 11.969 6.795 1.00 0.00 O ATOM 388 OD2 ASP A 29 3.459 10.775 7.741 1.00 0.00 O ATOM 0 H ASP A 29 4.606 8.003 4.099 1.00 0.00 H new ATOM 0 HA ASP A 29 6.401 9.525 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.444 10.582 4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.362 9.494 5.533 1.00 0.00 H new ATOM 393 N ARG A 30 4.297 7.384 7.085 1.00 0.00 N ATOM 394 CA ARG A 30 3.998 6.667 8.314 1.00 0.00 C ATOM 395 C ARG A 30 5.121 5.720 8.726 1.00 0.00 C ATOM 396 O ARG A 30 5.665 5.841 9.825 1.00 0.00 O ATOM 397 CB ARG A 30 2.648 5.927 8.257 1.00 0.00 C ATOM 398 CG ARG A 30 1.436 6.811 7.940 1.00 0.00 C ATOM 399 CD ARG A 30 1.460 8.138 8.699 1.00 0.00 C ATOM 400 NE ARG A 30 1.614 7.979 10.148 1.00 0.00 N ATOM 401 CZ ARG A 30 2.482 8.678 10.899 1.00 0.00 C ATOM 402 NH1 ARG A 30 3.287 9.592 10.327 1.00 0.00 N ATOM 403 NH2 ARG A 30 2.540 8.473 12.211 1.00 0.00 N ATOM 0 H ARG A 30 3.697 7.149 6.294 1.00 0.00 H new ATOM 0 HA ARG A 30 3.916 7.433 9.085 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.713 5.142 7.504 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.479 5.436 9.215 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.407 7.010 6.869 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.522 6.271 8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.278 8.750 8.319 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.536 8.680 8.497 1.00 0.00 H new ATOM 0 HE ARG A 30 1.023 7.292 10.617 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.239 9.756 9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.945 10.121 10.899 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.926 7.785 12.647 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.199 9.003 12.781 1.00 0.00 H new ATOM 417 N GLU A 31 5.493 4.827 7.847 1.00 0.00 N ATOM 418 CA GLU A 31 6.508 3.840 8.135 1.00 0.00 C ATOM 419 C GLU A 31 7.717 4.040 7.222 1.00 0.00 C ATOM 420 O GLU A 31 7.804 5.023 6.497 1.00 0.00 O ATOM 421 CB GLU A 31 5.940 2.424 7.957 1.00 0.00 C ATOM 422 CG GLU A 31 4.847 2.025 8.941 1.00 0.00 C ATOM 423 CD GLU A 31 5.306 2.044 10.383 1.00 0.00 C ATOM 424 OE1 GLU A 31 6.193 1.247 10.766 1.00 0.00 O ATOM 425 OE2 GLU A 31 4.792 2.859 11.173 1.00 0.00 O ATOM 0 H GLU A 31 5.101 4.761 6.908 1.00 0.00 H new ATOM 0 HA GLU A 31 6.827 3.962 9.170 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.544 2.335 6.946 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.759 1.710 8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.000 2.702 8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.491 1.025 8.693 1.00 0.00 H new ATOM 432 N HIS A 32 8.637 3.119 7.271 1.00 0.00 N ATOM 433 CA HIS A 32 9.822 3.171 6.477 1.00 0.00 C ATOM 434 C HIS A 32 9.675 2.193 5.332 1.00 0.00 C ATOM 435 O HIS A 32 9.919 0.987 5.482 1.00 0.00 O ATOM 436 CB HIS A 32 11.075 2.849 7.330 1.00 0.00 C ATOM 437 CG HIS A 32 12.397 2.954 6.597 1.00 0.00 C ATOM 438 ND1 HIS A 32 13.296 3.977 6.780 1.00 0.00 N ATOM 439 CD2 HIS A 32 12.969 2.115 5.691 1.00 0.00 C ATOM 440 CE1 HIS A 32 14.362 3.745 6.005 1.00 0.00 C ATOM 441 NE2 HIS A 32 14.211 2.620 5.319 1.00 0.00 N ATOM 0 H HIS A 32 8.580 2.299 7.875 1.00 0.00 H new ATOM 0 HA HIS A 32 9.956 4.178 6.081 1.00 0.00 H new ATOM 0 HB2 HIS A 32 11.097 3.525 8.185 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.976 1.838 7.725 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.529 1.202 5.319 1.00 0.00 H new ATOM 0 HE1 HIS A 32 15.228 4.387 5.946 1.00 0.00 H new ATOM 0 HE2 HIS A 32 14.869 2.210 4.656 1.00 0.00 H new ATOM 449 N PHE A 33 9.163 2.689 4.256 1.00 0.00 N ATOM 450 CA PHE A 33 9.034 1.942 3.019 1.00 0.00 C ATOM 451 C PHE A 33 9.619 2.743 1.873 1.00 0.00 C ATOM 452 O PHE A 33 9.039 3.740 1.439 1.00 0.00 O ATOM 453 CB PHE A 33 7.573 1.564 2.720 1.00 0.00 C ATOM 454 CG PHE A 33 7.005 0.506 3.628 1.00 0.00 C ATOM 455 CD1 PHE A 33 6.417 0.840 4.828 1.00 0.00 C ATOM 456 CD2 PHE A 33 7.056 -0.824 3.267 1.00 0.00 C ATOM 457 CE1 PHE A 33 5.891 -0.134 5.655 1.00 0.00 C ATOM 458 CE2 PHE A 33 6.529 -1.801 4.090 1.00 0.00 C ATOM 459 CZ PHE A 33 5.947 -1.455 5.283 1.00 0.00 C ATOM 0 H PHE A 33 8.811 3.644 4.196 1.00 0.00 H new ATOM 0 HA PHE A 33 9.588 1.011 3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 33 6.956 2.460 2.796 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.504 1.216 1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.366 1.877 5.126 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.513 -1.105 2.330 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.436 0.144 6.594 1.00 0.00 H new ATOM 0 HE2 PHE A 33 6.575 -2.838 3.794 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.535 -2.218 5.927 1.00 0.00 H new ATOM 469 N ALA A 34 10.749 2.286 1.372 1.00 0.00 N ATOM 470 CA ALA A 34 11.492 2.973 0.323 1.00 0.00 C ATOM 471 C ALA A 34 10.749 2.950 -1.004 1.00 0.00 C ATOM 472 O ALA A 34 11.003 3.769 -1.883 1.00 0.00 O ATOM 473 CB ALA A 34 12.875 2.361 0.168 1.00 0.00 C ATOM 0 H ALA A 34 11.186 1.418 1.682 1.00 0.00 H new ATOM 0 HA ALA A 34 11.596 4.016 0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.418 2.884 -0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.420 2.452 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.779 1.308 -0.096 1.00 0.00 H new ATOM 479 N TYR A 35 9.846 2.019 -1.157 1.00 0.00 N ATOM 480 CA TYR A 35 9.044 1.946 -2.363 1.00 0.00 C ATOM 481 C TYR A 35 7.649 2.484 -2.111 1.00 0.00 C ATOM 482 O TYR A 35 6.772 2.396 -2.979 1.00 0.00 O ATOM 483 CB TYR A 35 8.989 0.516 -2.921 1.00 0.00 C ATOM 484 CG TYR A 35 10.292 0.024 -3.531 1.00 0.00 C ATOM 485 CD1 TYR A 35 11.360 -0.363 -2.737 1.00 0.00 C ATOM 486 CD2 TYR A 35 10.440 -0.066 -4.911 1.00 0.00 C ATOM 487 CE1 TYR A 35 12.535 -0.817 -3.297 1.00 0.00 C ATOM 488 CE2 TYR A 35 11.614 -0.524 -5.477 1.00 0.00 C ATOM 489 CZ TYR A 35 12.655 -0.897 -4.666 1.00 0.00 C ATOM 490 OH TYR A 35 13.823 -1.347 -5.223 1.00 0.00 O ATOM 0 H TYR A 35 9.642 1.297 -0.465 1.00 0.00 H new ATOM 0 HA TYR A 35 9.523 2.571 -3.117 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.700 -0.162 -2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.207 0.465 -3.678 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.270 -0.308 -1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.622 0.228 -5.552 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.359 -1.109 -2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 35 11.711 -0.588 -6.551 1.00 0.00 H new ATOM 0 HH TYR A 35 13.742 -1.343 -6.200 1.00 0.00 H new ATOM 500 N GLY A 36 7.462 3.076 -0.933 1.00 0.00 N ATOM 501 CA GLY A 36 6.187 3.629 -0.552 1.00 0.00 C ATOM 502 C GLY A 36 5.101 2.583 -0.510 1.00 0.00 C ATOM 503 O GLY A 36 5.088 1.724 0.366 1.00 0.00 O ATOM 0 H GLY A 36 8.192 3.180 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.275 4.098 0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.908 4.412 -1.257 1.00 0.00 H new ATOM 507 N GLY A 37 4.243 2.622 -1.484 1.00 0.00 N ATOM 508 CA GLY A 37 3.148 1.720 -1.548 1.00 0.00 C ATOM 509 C GLY A 37 2.297 2.018 -2.738 1.00 0.00 C ATOM 510 O GLY A 37 2.465 3.067 -3.366 1.00 0.00 O ATOM 0 H GLY A 37 4.288 3.286 -2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.515 0.695 -1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.552 1.796 -0.639 1.00 0.00 H new ATOM 514 N ALA A 38 1.411 1.127 -3.063 1.00 0.00 N ATOM 515 CA ALA A 38 0.515 1.306 -4.179 1.00 0.00 C ATOM 516 C ALA A 38 -0.792 0.602 -3.895 1.00 0.00 C ATOM 517 O ALA A 38 -0.921 -0.080 -2.876 1.00 0.00 O ATOM 518 CB ALA A 38 1.134 0.800 -5.467 1.00 0.00 C ATOM 0 H ALA A 38 1.283 0.248 -2.562 1.00 0.00 H new ATOM 0 HA ALA A 38 0.325 2.371 -4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.435 0.949 -6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.054 1.349 -5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.359 -0.262 -5.370 1.00 0.00 H new ATOM 524 N CYS A 39 -1.741 0.749 -4.771 1.00 0.00 N ATOM 525 CA CYS A 39 -3.032 0.148 -4.577 1.00 0.00 C ATOM 526 C CYS A 39 -2.982 -1.338 -4.983 1.00 0.00 C ATOM 527 O CYS A 39 -2.566 -1.676 -6.095 1.00 0.00 O ATOM 528 CB CYS A 39 -4.081 0.919 -5.392 1.00 0.00 C ATOM 529 SG CYS A 39 -4.151 2.735 -5.055 1.00 0.00 S ATOM 0 H CYS A 39 -1.646 1.284 -5.634 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.313 0.198 -3.525 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.878 0.769 -6.452 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.063 0.489 -5.192 1.00 0.00 H new ATOM 534 N HIS A 40 -3.348 -2.213 -4.071 1.00 0.00 N ATOM 535 CA HIS A 40 -3.338 -3.656 -4.308 1.00 0.00 C ATOM 536 C HIS A 40 -4.657 -4.241 -3.793 1.00 0.00 C ATOM 537 O HIS A 40 -5.251 -3.692 -2.852 1.00 0.00 O ATOM 538 CB HIS A 40 -2.112 -4.282 -3.590 1.00 0.00 C ATOM 539 CG HIS A 40 -1.933 -5.770 -3.750 1.00 0.00 C ATOM 540 ND1 HIS A 40 -1.155 -6.351 -4.724 1.00 0.00 N ATOM 541 CD2 HIS A 40 -2.431 -6.796 -3.014 1.00 0.00 C ATOM 542 CE1 HIS A 40 -1.201 -7.670 -4.562 1.00 0.00 C ATOM 543 NE2 HIS A 40 -1.966 -8.001 -3.534 1.00 0.00 N ATOM 0 H HIS A 40 -3.664 -1.951 -3.137 1.00 0.00 H new ATOM 0 HA HIS A 40 -3.252 -3.879 -5.371 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.212 -3.788 -3.956 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.188 -4.059 -2.526 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -3.084 -6.694 -2.160 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -0.681 -8.380 -5.189 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.172 -8.941 -3.194 1.00 0.00 H new ATOM 551 N TYR A 41 -5.140 -5.310 -4.410 1.00 0.00 N ATOM 552 CA TYR A 41 -6.403 -5.887 -3.985 1.00 0.00 C ATOM 553 C TYR A 41 -6.234 -6.946 -2.928 1.00 0.00 C ATOM 554 O TYR A 41 -5.382 -7.832 -3.015 1.00 0.00 O ATOM 555 CB TYR A 41 -7.245 -6.468 -5.149 1.00 0.00 C ATOM 556 CG TYR A 41 -8.615 -7.004 -4.688 1.00 0.00 C ATOM 557 CD1 TYR A 41 -9.695 -6.153 -4.525 1.00 0.00 C ATOM 558 CD2 TYR A 41 -8.808 -8.354 -4.380 1.00 0.00 C ATOM 559 CE1 TYR A 41 -10.909 -6.617 -4.075 1.00 0.00 C ATOM 560 CE2 TYR A 41 -10.024 -8.821 -3.937 1.00 0.00 C ATOM 561 CZ TYR A 41 -11.069 -7.951 -3.784 1.00 0.00 C ATOM 562 OH TYR A 41 -12.274 -8.412 -3.324 1.00 0.00 O ATOM 0 H TYR A 41 -4.687 -5.786 -5.190 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.947 -5.043 -3.561 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.398 -5.695 -5.902 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.688 -7.273 -5.628 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.582 -5.104 -4.756 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.985 -9.045 -4.492 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -11.736 -5.934 -3.950 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.153 -9.869 -3.711 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.217 -9.378 -3.169 1.00 0.00 H new ATOM 572 N GLN A 42 -7.049 -6.828 -1.954 1.00 0.00 N ATOM 573 CA GLN A 42 -7.260 -7.792 -0.951 1.00 0.00 C ATOM 574 C GLN A 42 -8.668 -7.549 -0.555 1.00 0.00 C ATOM 575 O GLN A 42 -9.167 -6.452 -0.796 1.00 0.00 O ATOM 576 CB GLN A 42 -6.334 -7.594 0.252 1.00 0.00 C ATOM 577 CG GLN A 42 -6.522 -8.648 1.336 1.00 0.00 C ATOM 578 CD GLN A 42 -5.616 -8.477 2.532 1.00 0.00 C ATOM 579 OE1 GLN A 42 -4.508 -7.958 2.435 1.00 0.00 O ATOM 580 NE2 GLN A 42 -6.072 -8.914 3.670 1.00 0.00 N ATOM 0 H GLN A 42 -7.626 -5.997 -1.828 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.058 -8.804 -1.303 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.299 -7.613 -0.088 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.511 -6.607 0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.558 -8.625 1.673 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.350 -9.633 0.902 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.997 -9.341 3.719 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.504 -8.830 4.513 1.00 0.00 H new ATOM 589 N PHE A 43 -9.334 -8.522 -0.028 1.00 0.00 N ATOM 590 CA PHE A 43 -10.669 -8.312 0.428 1.00 0.00 C ATOM 591 C PHE A 43 -10.633 -7.238 1.556 1.00 0.00 C ATOM 592 O PHE A 43 -9.709 -7.250 2.387 1.00 0.00 O ATOM 593 CB PHE A 43 -11.278 -9.645 0.901 1.00 0.00 C ATOM 594 CG PHE A 43 -12.711 -9.537 1.336 1.00 0.00 C ATOM 595 CD1 PHE A 43 -13.726 -9.468 0.395 1.00 0.00 C ATOM 596 CD2 PHE A 43 -13.039 -9.466 2.679 1.00 0.00 C ATOM 597 CE1 PHE A 43 -15.039 -9.333 0.788 1.00 0.00 C ATOM 598 CE2 PHE A 43 -14.350 -9.326 3.075 1.00 0.00 C ATOM 599 CZ PHE A 43 -15.351 -9.258 2.129 1.00 0.00 C ATOM 0 H PHE A 43 -8.977 -9.469 0.098 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.307 -7.946 -0.377 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.207 -10.373 0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.685 -10.031 1.730 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -13.485 -9.521 -0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -12.259 -9.521 3.424 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -15.823 -9.286 0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -14.594 -9.269 4.125 1.00 0.00 H new ATOM 0 HZ PHE A 43 -16.380 -9.146 2.439 1.00 0.00 H new ATOM 609 N PRO A 44 -11.603 -6.306 1.616 1.00 0.00 N ATOM 610 CA PRO A 44 -12.769 -6.270 0.737 1.00 0.00 C ATOM 611 C PRO A 44 -12.636 -5.387 -0.516 1.00 0.00 C ATOM 612 O PRO A 44 -13.528 -5.407 -1.377 1.00 0.00 O ATOM 613 CB PRO A 44 -13.825 -5.687 1.661 1.00 0.00 C ATOM 614 CG PRO A 44 -13.082 -4.740 2.549 1.00 0.00 C ATOM 615 CD PRO A 44 -11.646 -5.205 2.592 1.00 0.00 C ATOM 0 HA PRO A 44 -12.970 -7.256 0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.602 -5.172 1.097 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.317 -6.468 2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.146 -3.722 2.165 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.514 -4.731 3.550 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.958 -4.404 2.322 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.365 -5.543 3.589 1.00 0.00 H new ATOM 623 N SER A 45 -11.556 -4.650 -0.633 1.00 0.00 N ATOM 624 CA SER A 45 -11.386 -3.737 -1.731 1.00 0.00 C ATOM 625 C SER A 45 -9.918 -3.406 -1.887 1.00 0.00 C ATOM 626 O SER A 45 -9.120 -3.642 -0.969 1.00 0.00 O ATOM 627 CB SER A 45 -12.201 -2.446 -1.486 1.00 0.00 C ATOM 628 OG SER A 45 -12.143 -1.549 -2.598 1.00 0.00 O ATOM 0 H SER A 45 -10.778 -4.668 0.026 1.00 0.00 H new ATOM 0 HA SER A 45 -11.749 -4.205 -2.646 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.240 -2.707 -1.287 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.822 -1.943 -0.596 1.00 0.00 H new ATOM 0 HG SER A 45 -12.673 -0.748 -2.400 1.00 0.00 H new ATOM 634 N VAL A 46 -9.571 -2.890 -3.051 1.00 0.00 N ATOM 635 CA VAL A 46 -8.225 -2.459 -3.355 1.00 0.00 C ATOM 636 C VAL A 46 -7.812 -1.396 -2.357 1.00 0.00 C ATOM 637 O VAL A 46 -8.411 -0.327 -2.304 1.00 0.00 O ATOM 638 CB VAL A 46 -8.136 -1.884 -4.794 1.00 0.00 C ATOM 639 CG1 VAL A 46 -6.732 -1.428 -5.119 1.00 0.00 C ATOM 640 CG2 VAL A 46 -8.597 -2.907 -5.809 1.00 0.00 C ATOM 0 H VAL A 46 -10.227 -2.758 -3.821 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.557 -3.318 -3.290 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.795 -1.017 -4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.704 -1.031 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.430 -0.651 -4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.048 -2.273 -5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.526 -2.483 -6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.966 -3.793 -5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.631 -3.183 -5.604 1.00 0.00 H new ATOM 650 N LYS A 47 -6.807 -1.689 -1.579 1.00 0.00 N ATOM 651 CA LYS A 47 -6.373 -0.804 -0.530 1.00 0.00 C ATOM 652 C LYS A 47 -4.891 -0.470 -0.738 1.00 0.00 C ATOM 653 O LYS A 47 -4.254 -1.010 -1.646 1.00 0.00 O ATOM 654 CB LYS A 47 -6.644 -1.452 0.859 1.00 0.00 C ATOM 655 CG LYS A 47 -6.401 -0.530 2.060 1.00 0.00 C ATOM 656 CD LYS A 47 -6.792 -1.165 3.386 1.00 0.00 C ATOM 657 CE LYS A 47 -5.968 -2.403 3.708 1.00 0.00 C ATOM 658 NZ LYS A 47 -6.309 -2.948 5.034 1.00 0.00 N ATOM 0 H LYS A 47 -6.264 -2.549 -1.653 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.936 0.129 -0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.678 -1.797 0.887 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.011 -2.333 0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.347 -0.255 2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.967 0.392 1.924 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.669 -0.434 4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.848 -1.433 3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.139 -3.163 2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.907 -2.154 3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.730 -3.791 5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.123 -2.230 5.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.316 -3.208 5.054 1.00 0.00 H new ATOM 672 N CYS A 48 -4.385 0.451 0.041 1.00 0.00 N ATOM 673 CA CYS A 48 -3.007 0.876 -0.025 1.00 0.00 C ATOM 674 C CYS A 48 -2.112 -0.188 0.600 1.00 0.00 C ATOM 675 O CYS A 48 -2.311 -0.586 1.765 1.00 0.00 O ATOM 676 CB CYS A 48 -2.867 2.204 0.726 1.00 0.00 C ATOM 677 SG CYS A 48 -1.220 2.969 0.696 1.00 0.00 S ATOM 0 H CYS A 48 -4.929 0.937 0.754 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.704 1.014 -1.063 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.582 2.912 0.307 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.151 2.042 1.766 1.00 0.00 H new ATOM 682 N PHE A 49 -1.193 -0.687 -0.177 1.00 0.00 N ATOM 683 CA PHE A 49 -0.246 -1.675 0.271 1.00 0.00 C ATOM 684 C PHE A 49 1.147 -1.147 0.113 1.00 0.00 C ATOM 685 O PHE A 49 1.559 -0.767 -0.984 1.00 0.00 O ATOM 686 CB PHE A 49 -0.389 -2.996 -0.486 1.00 0.00 C ATOM 687 CG PHE A 49 -1.579 -3.838 -0.098 1.00 0.00 C ATOM 688 CD1 PHE A 49 -2.868 -3.406 -0.326 1.00 0.00 C ATOM 689 CD2 PHE A 49 -1.397 -5.071 0.495 1.00 0.00 C ATOM 690 CE1 PHE A 49 -3.945 -4.179 0.028 1.00 0.00 C ATOM 691 CE2 PHE A 49 -2.469 -5.845 0.847 1.00 0.00 C ATOM 692 CZ PHE A 49 -3.743 -5.397 0.614 1.00 0.00 C ATOM 0 H PHE A 49 -1.077 -0.417 -1.154 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.452 -1.876 1.322 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.451 -2.779 -1.552 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.516 -3.583 -0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.033 -2.445 -0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.396 -5.429 0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.949 -3.826 -0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.311 -6.809 1.308 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.589 -6.007 0.894 1.00 0.00 H new ATOM 702 N CYS A 50 1.844 -1.121 1.191 1.00 0.00 N ATOM 703 CA CYS A 50 3.191 -0.647 1.257 1.00 0.00 C ATOM 704 C CYS A 50 4.099 -1.695 0.658 1.00 0.00 C ATOM 705 O CYS A 50 3.937 -2.884 0.926 1.00 0.00 O ATOM 706 CB CYS A 50 3.551 -0.453 2.706 1.00 0.00 C ATOM 707 SG CYS A 50 2.294 0.431 3.667 1.00 0.00 S ATOM 0 H CYS A 50 1.483 -1.440 2.090 1.00 0.00 H new ATOM 0 HA CYS A 50 3.298 0.291 0.713 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.722 -1.429 3.161 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.491 0.095 2.766 1.00 0.00 H new ATOM 712 N LYS A 51 5.033 -1.288 -0.135 1.00 0.00 N ATOM 713 CA LYS A 51 5.898 -2.234 -0.783 1.00 0.00 C ATOM 714 C LYS A 51 7.269 -2.213 -0.169 1.00 0.00 C ATOM 715 O LYS A 51 8.012 -1.239 -0.321 1.00 0.00 O ATOM 716 CB LYS A 51 5.974 -1.966 -2.286 1.00 0.00 C ATOM 717 CG LYS A 51 4.642 -2.117 -3.000 1.00 0.00 C ATOM 718 CD LYS A 51 4.786 -1.888 -4.491 1.00 0.00 C ATOM 719 CE LYS A 51 3.451 -2.020 -5.206 1.00 0.00 C ATOM 720 NZ LYS A 51 2.868 -3.370 -5.095 1.00 0.00 N ATOM 0 H LYS A 51 5.222 -0.310 -0.354 1.00 0.00 H new ATOM 0 HA LYS A 51 5.476 -3.228 -0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.351 -0.956 -2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.695 -2.650 -2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.242 -3.115 -2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.924 -1.407 -2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.199 -0.895 -4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.494 -2.607 -4.904 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.751 -1.293 -4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.583 -1.773 -6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.096 -3.472 -5.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.601 -4.082 -5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.495 -3.509 -4.134 1.00 0.00 H new ATOM 734 N ARG A 52 7.590 -3.246 0.579 1.00 0.00 N ATOM 735 CA ARG A 52 8.937 -3.351 1.124 1.00 0.00 C ATOM 736 C ARG A 52 9.719 -4.364 0.351 1.00 0.00 C ATOM 737 O ARG A 52 9.137 -5.256 -0.272 1.00 0.00 O ATOM 738 CB ARG A 52 8.977 -3.757 2.598 1.00 0.00 C ATOM 739 CG ARG A 52 8.332 -5.100 2.909 1.00 0.00 C ATOM 740 CD ARG A 52 8.903 -5.684 4.185 1.00 0.00 C ATOM 741 NE ARG A 52 10.330 -6.028 4.012 1.00 0.00 N ATOM 742 CZ ARG A 52 11.187 -6.334 4.991 1.00 0.00 C ATOM 743 NH1 ARG A 52 10.796 -6.337 6.257 1.00 0.00 N ATOM 744 NH2 ARG A 52 12.437 -6.643 4.685 1.00 0.00 N ATOM 0 H ARG A 52 6.960 -4.010 0.823 1.00 0.00 H new ATOM 0 HA ARG A 52 9.367 -2.353 1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.017 -3.785 2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.479 -2.986 3.186 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.254 -4.977 3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.498 -5.789 2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.793 -4.968 4.999 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.341 -6.575 4.466 1.00 0.00 H new ATOM 0 HE ARG A 52 10.694 -6.032 3.059 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.832 -6.104 6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.459 -6.572 6.995 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.738 -6.646 3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.100 -6.878 5.424 1.00 0.00 H new ATOM 758 N GLN A 53 11.016 -4.264 0.412 1.00 0.00 N ATOM 759 CA GLN A 53 11.859 -5.219 -0.213 1.00 0.00 C ATOM 760 C GLN A 53 11.918 -6.441 0.656 1.00 0.00 C ATOM 761 O GLN A 53 12.240 -6.359 1.848 1.00 0.00 O ATOM 762 CB GLN A 53 13.250 -4.658 -0.417 1.00 0.00 C ATOM 763 CG GLN A 53 13.306 -3.508 -1.378 1.00 0.00 C ATOM 764 CD GLN A 53 14.696 -2.960 -1.537 1.00 0.00 C ATOM 765 OE1 GLN A 53 15.109 -2.067 -0.812 1.00 0.00 O ATOM 766 NE2 GLN A 53 15.426 -3.478 -2.482 1.00 0.00 N ATOM 0 H GLN A 53 11.510 -3.516 0.898 1.00 0.00 H new ATOM 0 HA GLN A 53 11.456 -5.473 -1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.645 -4.334 0.546 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.902 -5.453 -0.778 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.933 -3.832 -2.350 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.644 -2.715 -1.030 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.048 -4.222 -3.068 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.376 -3.140 -2.636 1.00 0.00 H new ATOM 775 N CYS A 54 11.535 -7.530 0.113 1.00 0.00 N ATOM 776 CA CYS A 54 11.580 -8.761 0.815 1.00 0.00 C ATOM 777 C CYS A 54 12.615 -9.652 0.194 1.00 0.00 C ATOM 778 O CYS A 54 13.656 -9.896 0.825 1.00 0.00 O ATOM 779 CB CYS A 54 10.202 -9.399 0.888 1.00 0.00 C ATOM 780 SG CYS A 54 9.297 -9.465 -0.691 1.00 0.00 S ATOM 781 OXT CYS A 54 12.468 -10.009 -0.992 1.00 0.00 O ATOM 0 H CYS A 54 11.177 -7.599 -0.840 1.00 0.00 H new ATOM 0 HA CYS A 54 11.878 -8.587 1.849 1.00 0.00 H new ATOM 0 HB2 CYS A 54 10.308 -10.414 1.271 1.00 0.00 H new ATOM 0 HB3 CYS A 54 9.601 -8.847 1.611 1.00 0.00 H new TER 786 CYS A 54