USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=13 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 35 TYR OH : rot 22:sc= 0.923 USER MOD Set 1.2: A 53 GLN : amide:sc= 0.805 K(o=1.7,f=-1.4!) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 25 GLN : amide:sc= 0.0438 X(o=0.044,f=0) USER MOD Set 3.1: A 19 SER OG : rot 131:sc= -0.36 USER MOD Set 3.2: A 22 LYS NZ :NH3+ 162:sc= -0.0617 (180deg=-0.405) USER MOD Set 4.1: A 12 THR OG1 : rot -101:sc= 0.655 USER MOD Set 4.2: A 26 GLN : amide:sc= -0.551 K(o=0.1,f=-3.3!) USER MOD Single : A 1 ASP N :NH3+ -147:sc=5.75e-05 (180deg=-0.0486) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -97:sc= 1.44 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=-0.0062) USER MOD Single : A 20 SER OG : rot -30:sc= 0.553 USER MOD Single : A 24 SER OG : rot -53:sc= 1.29 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 40 HIS : no HD1:sc= -0.0068 X(o=-0.0068,f=0) USER MOD Single : A 41 TYR OH : rot -48:sc= 0.109 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 176:sc= 1.13 (180deg=1.07) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 10.824 -8.406 -13.439 1.00 0.00 N ATOM 2 CA ASP A 1 10.109 -7.823 -12.293 1.00 0.00 C ATOM 3 C ASP A 1 10.880 -6.635 -11.722 1.00 0.00 C ATOM 4 O ASP A 1 10.290 -5.598 -11.393 1.00 0.00 O ATOM 5 CB ASP A 1 9.849 -8.880 -11.200 1.00 0.00 C ATOM 6 CG ASP A 1 11.114 -9.485 -10.652 1.00 0.00 C ATOM 7 OD1 ASP A 1 11.685 -10.372 -11.314 1.00 0.00 O ATOM 8 OD2 ASP A 1 11.562 -9.076 -9.580 1.00 0.00 O ATOM 0 H1 ASP A 1 10.136 -8.776 -14.126 1.00 0.00 H new ATOM 0 H2 ASP A 1 11.407 -7.674 -13.893 1.00 0.00 H new ATOM 0 H3 ASP A 1 11.435 -9.181 -13.110 1.00 0.00 H new ATOM 0 HA ASP A 1 9.143 -7.466 -12.650 1.00 0.00 H new ATOM 0 HB2 ASP A 1 9.290 -8.421 -10.385 1.00 0.00 H new ATOM 0 HB3 ASP A 1 9.222 -9.672 -11.610 1.00 0.00 H new ATOM 15 N GLY A 2 12.187 -6.751 -11.634 1.00 0.00 N ATOM 16 CA GLY A 2 12.984 -5.681 -11.114 1.00 0.00 C ATOM 17 C GLY A 2 13.528 -6.036 -9.765 1.00 0.00 C ATOM 18 O GLY A 2 14.556 -6.698 -9.663 1.00 0.00 O ATOM 0 H GLY A 2 12.713 -7.578 -11.918 1.00 0.00 H new ATOM 0 HA2 GLY A 2 13.805 -5.466 -11.798 1.00 0.00 H new ATOM 0 HA3 GLY A 2 12.383 -4.774 -11.043 1.00 0.00 H new ATOM 22 N VAL A 3 12.869 -5.588 -8.737 1.00 0.00 N ATOM 23 CA VAL A 3 13.248 -5.908 -7.387 1.00 0.00 C ATOM 24 C VAL A 3 12.071 -6.612 -6.700 1.00 0.00 C ATOM 25 O VAL A 3 10.909 -6.245 -6.927 1.00 0.00 O ATOM 26 CB VAL A 3 13.714 -4.633 -6.597 1.00 0.00 C ATOM 27 CG1 VAL A 3 12.605 -3.608 -6.442 1.00 0.00 C ATOM 28 CG2 VAL A 3 14.313 -4.991 -5.247 1.00 0.00 C ATOM 0 H VAL A 3 12.048 -4.987 -8.809 1.00 0.00 H new ATOM 0 HA VAL A 3 14.106 -6.580 -7.401 1.00 0.00 H new ATOM 0 HB VAL A 3 14.497 -4.173 -7.200 1.00 0.00 H new ATOM 0 HG11 VAL A 3 12.980 -2.747 -5.889 1.00 0.00 H new ATOM 0 HG12 VAL A 3 12.266 -3.287 -7.427 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.771 -4.053 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 3 14.622 -4.081 -4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 3 13.568 -5.512 -4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 3 15.179 -5.637 -5.393 1.00 0.00 H new ATOM 38 N LYS A 4 12.353 -7.645 -5.942 1.00 0.00 N ATOM 39 CA LYS A 4 11.321 -8.373 -5.225 1.00 0.00 C ATOM 40 C LYS A 4 10.725 -7.534 -4.093 1.00 0.00 C ATOM 41 O LYS A 4 11.422 -7.181 -3.126 1.00 0.00 O ATOM 42 CB LYS A 4 11.878 -9.686 -4.675 1.00 0.00 C ATOM 43 CG LYS A 4 12.341 -10.674 -5.739 1.00 0.00 C ATOM 44 CD LYS A 4 11.200 -11.109 -6.652 1.00 0.00 C ATOM 45 CE LYS A 4 10.112 -11.840 -5.870 1.00 0.00 C ATOM 46 NZ LYS A 4 9.000 -12.288 -6.728 1.00 0.00 N ATOM 0 H LYS A 4 13.296 -8.007 -5.802 1.00 0.00 H new ATOM 0 HA LYS A 4 10.522 -8.595 -5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.717 -9.462 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.112 -10.163 -4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.130 -10.219 -6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.773 -11.551 -5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.772 -10.236 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.587 -11.760 -7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.549 -12.703 -5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.724 -11.182 -5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.289 -12.778 -6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.563 -11.464 -7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.362 -12.938 -7.454 1.00 0.00 H new ATOM 60 N LEU A 5 9.458 -7.206 -4.210 1.00 0.00 N ATOM 61 CA LEU A 5 8.782 -6.423 -3.195 1.00 0.00 C ATOM 62 C LEU A 5 7.543 -7.148 -2.740 1.00 0.00 C ATOM 63 O LEU A 5 6.856 -7.798 -3.539 1.00 0.00 O ATOM 64 CB LEU A 5 8.382 -5.028 -3.706 1.00 0.00 C ATOM 65 CG LEU A 5 9.492 -4.170 -4.306 1.00 0.00 C ATOM 66 CD1 LEU A 5 8.942 -2.853 -4.805 1.00 0.00 C ATOM 67 CD2 LEU A 5 10.598 -3.924 -3.305 1.00 0.00 C ATOM 0 H LEU A 5 8.871 -7.470 -5.001 1.00 0.00 H new ATOM 0 HA LEU A 5 9.480 -6.293 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.604 -5.152 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.938 -4.477 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 5 9.910 -4.719 -5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.751 -2.258 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.190 -3.040 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.488 -2.310 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 5 11.373 -3.310 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 5 10.193 -3.408 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 5 11.026 -4.877 -2.994 1.00 0.00 H new ATOM 79 N CYS A 6 7.258 -7.052 -1.497 1.00 0.00 N ATOM 80 CA CYS A 6 6.084 -7.675 -0.933 1.00 0.00 C ATOM 81 C CYS A 6 5.114 -6.589 -0.537 1.00 0.00 C ATOM 82 O CYS A 6 5.504 -5.620 0.127 1.00 0.00 O ATOM 83 CB CYS A 6 6.462 -8.516 0.283 1.00 0.00 C ATOM 84 SG CYS A 6 7.782 -9.727 -0.040 1.00 0.00 S ATOM 0 H CYS A 6 7.826 -6.539 -0.822 1.00 0.00 H new ATOM 0 HA CYS A 6 5.624 -8.335 -1.668 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.780 -7.852 1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.577 -9.044 0.637 1.00 0.00 H new ATOM 89 N ASP A 7 3.877 -6.725 -0.956 1.00 0.00 N ATOM 90 CA ASP A 7 2.862 -5.721 -0.685 1.00 0.00 C ATOM 91 C ASP A 7 2.201 -6.035 0.644 1.00 0.00 C ATOM 92 O ASP A 7 1.449 -7.013 0.759 1.00 0.00 O ATOM 93 CB ASP A 7 1.800 -5.688 -1.808 1.00 0.00 C ATOM 94 CG ASP A 7 2.364 -5.420 -3.186 1.00 0.00 C ATOM 95 OD1 ASP A 7 2.500 -4.256 -3.592 1.00 0.00 O ATOM 96 OD2 ASP A 7 2.668 -6.388 -3.914 1.00 0.00 O ATOM 0 H ASP A 7 3.543 -7.527 -1.491 1.00 0.00 H new ATOM 0 HA ASP A 7 3.336 -4.741 -0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.273 -6.642 -1.822 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.063 -4.920 -1.573 1.00 0.00 H new ATOM 101 N VAL A 8 2.502 -5.248 1.642 1.00 0.00 N ATOM 102 CA VAL A 8 1.986 -5.461 2.982 1.00 0.00 C ATOM 103 C VAL A 8 0.833 -4.485 3.281 1.00 0.00 C ATOM 104 O VAL A 8 0.933 -3.306 2.971 1.00 0.00 O ATOM 105 CB VAL A 8 3.111 -5.336 4.066 1.00 0.00 C ATOM 106 CG1 VAL A 8 4.214 -6.349 3.809 1.00 0.00 C ATOM 107 CG2 VAL A 8 3.703 -3.930 4.129 1.00 0.00 C ATOM 0 H VAL A 8 3.114 -4.436 1.556 1.00 0.00 H new ATOM 0 HA VAL A 8 1.602 -6.480 3.026 1.00 0.00 H new ATOM 0 HB VAL A 8 2.645 -5.541 5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.986 -6.247 4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.799 -7.356 3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.649 -6.171 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.478 -3.895 4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.137 -3.674 3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.918 -3.215 4.375 1.00 0.00 H new ATOM 117 N PRO A 9 -0.280 -4.965 3.867 1.00 0.00 N ATOM 118 CA PRO A 9 -1.452 -4.121 4.147 1.00 0.00 C ATOM 119 C PRO A 9 -1.125 -2.990 5.114 1.00 0.00 C ATOM 120 O PRO A 9 -0.684 -3.234 6.256 1.00 0.00 O ATOM 121 CB PRO A 9 -2.463 -5.076 4.792 1.00 0.00 C ATOM 122 CG PRO A 9 -1.977 -6.447 4.487 1.00 0.00 C ATOM 123 CD PRO A 9 -0.489 -6.352 4.309 1.00 0.00 C ATOM 0 HA PRO A 9 -1.821 -3.644 3.239 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.523 -4.913 5.868 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.463 -4.917 4.389 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.226 -7.134 5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.450 -6.833 3.584 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.040 -6.560 5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.127 -7.067 3.570 1.00 0.00 H new ATOM 131 N SER A 10 -1.305 -1.776 4.662 1.00 0.00 N ATOM 132 CA SER A 10 -1.052 -0.622 5.469 1.00 0.00 C ATOM 133 C SER A 10 -2.223 -0.391 6.431 1.00 0.00 C ATOM 134 O SER A 10 -3.343 -0.081 6.002 1.00 0.00 O ATOM 135 CB SER A 10 -0.865 0.575 4.552 1.00 0.00 C ATOM 136 OG SER A 10 0.059 0.257 3.526 1.00 0.00 O ATOM 0 H SER A 10 -1.633 -1.565 3.719 1.00 0.00 H new ATOM 0 HA SER A 10 -0.151 -0.767 6.064 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.821 0.863 4.116 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.506 1.430 5.125 1.00 0.00 H new ATOM 0 HG SER A 10 0.948 0.587 3.773 1.00 0.00 H new ATOM 142 N GLY A 11 -1.967 -0.551 7.722 1.00 0.00 N ATOM 143 CA GLY A 11 -2.999 -0.365 8.734 1.00 0.00 C ATOM 144 C GLY A 11 -3.326 1.098 8.942 1.00 0.00 C ATOM 145 O GLY A 11 -4.370 1.445 9.485 1.00 0.00 O ATOM 0 H GLY A 11 -1.053 -0.809 8.094 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.901 -0.900 8.436 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.667 -0.801 9.676 1.00 0.00 H new ATOM 149 N THR A 12 -2.435 1.940 8.486 1.00 0.00 N ATOM 150 CA THR A 12 -2.568 3.376 8.560 1.00 0.00 C ATOM 151 C THR A 12 -3.628 3.880 7.573 1.00 0.00 C ATOM 152 O THR A 12 -4.215 4.961 7.744 1.00 0.00 O ATOM 153 CB THR A 12 -1.216 3.988 8.209 1.00 0.00 C ATOM 154 OG1 THR A 12 -0.674 3.259 7.077 1.00 0.00 O ATOM 155 CG2 THR A 12 -0.255 3.897 9.383 1.00 0.00 C ATOM 0 H THR A 12 -1.569 1.638 8.039 1.00 0.00 H new ATOM 0 HA THR A 12 -2.880 3.663 9.564 1.00 0.00 H new ATOM 0 HB THR A 12 -1.346 5.042 7.965 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.001 2.622 7.391 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.701 4.341 9.106 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.670 4.434 10.236 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.106 2.851 9.651 1.00 0.00 H new ATOM 163 N TRP A 13 -3.879 3.086 6.561 1.00 0.00 N ATOM 164 CA TRP A 13 -4.811 3.433 5.541 1.00 0.00 C ATOM 165 C TRP A 13 -6.129 2.760 5.837 1.00 0.00 C ATOM 166 O TRP A 13 -6.164 1.584 6.210 1.00 0.00 O ATOM 167 CB TRP A 13 -4.279 2.975 4.179 1.00 0.00 C ATOM 168 CG TRP A 13 -5.106 3.415 3.002 1.00 0.00 C ATOM 169 CD1 TRP A 13 -6.227 2.811 2.508 1.00 0.00 C ATOM 170 CD2 TRP A 13 -4.848 4.535 2.146 1.00 0.00 C ATOM 171 NE1 TRP A 13 -6.692 3.501 1.423 1.00 0.00 N ATOM 172 CE2 TRP A 13 -5.860 4.560 1.176 1.00 0.00 C ATOM 173 CE3 TRP A 13 -3.861 5.524 2.115 1.00 0.00 C ATOM 174 CZ2 TRP A 13 -5.913 5.535 0.188 1.00 0.00 C ATOM 175 CZ3 TRP A 13 -3.915 6.487 1.132 1.00 0.00 C ATOM 176 CH2 TRP A 13 -4.933 6.487 0.182 1.00 0.00 C ATOM 0 H TRP A 13 -3.434 2.177 6.430 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.951 4.514 5.516 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -3.264 3.353 4.055 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.217 1.887 4.176 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.680 1.919 2.915 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -7.525 3.265 0.884 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -3.069 5.533 2.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.702 5.540 -0.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.156 7.254 1.097 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.948 7.256 -0.576 1.00 0.00 H new ATOM 187 N SER A 14 -7.185 3.484 5.694 1.00 0.00 N ATOM 188 CA SER A 14 -8.489 2.957 5.880 1.00 0.00 C ATOM 189 C SER A 14 -9.352 3.411 4.719 1.00 0.00 C ATOM 190 O SER A 14 -9.456 4.613 4.438 1.00 0.00 O ATOM 191 CB SER A 14 -9.072 3.426 7.227 1.00 0.00 C ATOM 192 OG SER A 14 -10.342 2.833 7.493 1.00 0.00 O ATOM 0 H SER A 14 -7.165 4.472 5.441 1.00 0.00 H new ATOM 0 HA SER A 14 -8.457 1.868 5.905 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.379 3.175 8.030 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.172 4.511 7.221 1.00 0.00 H new ATOM 0 HG SER A 14 -10.678 3.153 8.356 1.00 0.00 H new ATOM 198 N GLY A 15 -9.908 2.465 4.016 1.00 0.00 N ATOM 199 CA GLY A 15 -10.763 2.787 2.928 1.00 0.00 C ATOM 200 C GLY A 15 -10.184 2.377 1.607 1.00 0.00 C ATOM 201 O GLY A 15 -9.166 1.666 1.550 1.00 0.00 O ATOM 0 H GLY A 15 -9.780 1.467 4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.726 2.296 3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.951 3.861 2.922 1.00 0.00 H new ATOM 205 N HIS A 16 -10.813 2.832 0.563 1.00 0.00 N ATOM 206 CA HIS A 16 -10.426 2.528 -0.790 1.00 0.00 C ATOM 207 C HIS A 16 -9.137 3.245 -1.156 1.00 0.00 C ATOM 208 O HIS A 16 -8.940 4.421 -0.812 1.00 0.00 O ATOM 209 CB HIS A 16 -11.578 2.914 -1.747 1.00 0.00 C ATOM 210 CG HIS A 16 -11.261 2.872 -3.222 1.00 0.00 C ATOM 211 ND1 HIS A 16 -11.292 1.738 -3.994 1.00 0.00 N ATOM 212 CD2 HIS A 16 -10.901 3.882 -4.056 1.00 0.00 C ATOM 213 CE1 HIS A 16 -10.951 2.082 -5.242 1.00 0.00 C ATOM 214 NE2 HIS A 16 -10.706 3.377 -5.335 1.00 0.00 N ATOM 0 H HIS A 16 -11.630 3.440 0.627 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.236 1.459 -0.882 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.419 2.246 -1.558 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -11.909 3.922 -1.496 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.785 4.917 -3.769 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.885 1.389 -6.068 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.432 3.896 -6.169 1.00 0.00 H new ATOM 222 N CYS A 17 -8.257 2.531 -1.802 1.00 0.00 N ATOM 223 CA CYS A 17 -7.043 3.102 -2.289 1.00 0.00 C ATOM 224 C CYS A 17 -7.302 3.602 -3.688 1.00 0.00 C ATOM 225 O CYS A 17 -7.374 2.811 -4.645 1.00 0.00 O ATOM 226 CB CYS A 17 -5.916 2.074 -2.294 1.00 0.00 C ATOM 227 SG CYS A 17 -4.256 2.758 -2.628 1.00 0.00 S ATOM 0 H CYS A 17 -8.366 1.537 -2.003 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.731 3.920 -1.639 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.898 1.571 -1.327 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.139 1.315 -3.044 1.00 0.00 H new ATOM 232 N GLY A 18 -7.522 4.883 -3.802 1.00 0.00 N ATOM 233 CA GLY A 18 -7.812 5.456 -5.076 1.00 0.00 C ATOM 234 C GLY A 18 -6.599 6.065 -5.691 1.00 0.00 C ATOM 235 O GLY A 18 -6.387 5.970 -6.896 1.00 0.00 O ATOM 0 H GLY A 18 -7.505 5.545 -3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.211 4.688 -5.739 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.586 6.216 -4.967 1.00 0.00 H new ATOM 239 N SER A 19 -5.802 6.686 -4.877 1.00 0.00 N ATOM 240 CA SER A 19 -4.603 7.301 -5.330 1.00 0.00 C ATOM 241 C SER A 19 -3.402 6.482 -4.896 1.00 0.00 C ATOM 242 O SER A 19 -3.065 6.427 -3.699 1.00 0.00 O ATOM 243 CB SER A 19 -4.513 8.733 -4.797 1.00 0.00 C ATOM 244 OG SER A 19 -3.310 9.387 -5.207 1.00 0.00 O ATOM 0 H SER A 19 -5.970 6.778 -3.875 1.00 0.00 H new ATOM 0 HA SER A 19 -4.611 7.343 -6.419 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.373 9.304 -5.148 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.563 8.717 -3.708 1.00 0.00 H new ATOM 0 HG SER A 19 -3.526 10.269 -5.576 1.00 0.00 H new ATOM 250 N SER A 20 -2.764 5.843 -5.857 1.00 0.00 N ATOM 251 CA SER A 20 -1.580 5.067 -5.606 1.00 0.00 C ATOM 252 C SER A 20 -0.452 5.987 -5.128 1.00 0.00 C ATOM 253 O SER A 20 0.360 5.599 -4.299 1.00 0.00 O ATOM 254 CB SER A 20 -1.175 4.325 -6.880 1.00 0.00 C ATOM 255 OG SER A 20 -2.266 3.561 -7.390 1.00 0.00 O ATOM 0 H SER A 20 -3.058 5.852 -6.834 1.00 0.00 H new ATOM 0 HA SER A 20 -1.779 4.333 -4.826 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.843 5.040 -7.633 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.331 3.667 -6.671 1.00 0.00 H new ATOM 0 HG SER A 20 -2.836 3.269 -6.648 1.00 0.00 H new ATOM 261 N SER A 21 -0.458 7.220 -5.617 1.00 0.00 N ATOM 262 CA SER A 21 0.523 8.207 -5.250 1.00 0.00 C ATOM 263 C SER A 21 0.365 8.598 -3.779 1.00 0.00 C ATOM 264 O SER A 21 1.355 8.718 -3.049 1.00 0.00 O ATOM 265 CB SER A 21 0.398 9.430 -6.174 1.00 0.00 C ATOM 266 OG SER A 21 1.270 10.478 -5.793 1.00 0.00 O ATOM 0 H SER A 21 -1.153 7.556 -6.284 1.00 0.00 H new ATOM 0 HA SER A 21 1.521 7.786 -5.372 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.616 9.132 -7.200 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.630 9.791 -6.159 1.00 0.00 H new ATOM 0 HG SER A 21 1.160 11.234 -6.406 1.00 0.00 H new ATOM 272 N LYS A 22 -0.871 8.742 -3.324 1.00 0.00 N ATOM 273 CA LYS A 22 -1.104 9.061 -1.932 1.00 0.00 C ATOM 274 C LYS A 22 -0.812 7.866 -1.065 1.00 0.00 C ATOM 275 O LYS A 22 -0.337 8.015 0.032 1.00 0.00 O ATOM 276 CB LYS A 22 -2.503 9.602 -1.683 1.00 0.00 C ATOM 277 CG LYS A 22 -2.761 10.916 -2.387 1.00 0.00 C ATOM 278 CD LYS A 22 -4.145 11.447 -2.101 1.00 0.00 C ATOM 279 CE LYS A 22 -4.410 12.716 -2.895 1.00 0.00 C ATOM 280 NZ LYS A 22 -4.347 12.484 -4.362 1.00 0.00 N ATOM 0 H LYS A 22 -1.713 8.644 -3.891 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.416 9.862 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.236 8.867 -2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.650 9.735 -0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.019 11.649 -2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.639 10.782 -3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.889 10.692 -2.355 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.248 11.651 -1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.393 13.108 -2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.679 13.476 -2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.820 13.266 -4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.353 12.434 -4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.824 11.589 -4.593 1.00 0.00 H new ATOM 294 N CYS A 23 -1.072 6.680 -1.589 1.00 0.00 N ATOM 295 CA CYS A 23 -0.733 5.443 -0.903 1.00 0.00 C ATOM 296 C CYS A 23 0.782 5.380 -0.649 1.00 0.00 C ATOM 297 O CYS A 23 1.228 5.126 0.481 1.00 0.00 O ATOM 298 CB CYS A 23 -1.205 4.237 -1.727 1.00 0.00 C ATOM 299 SG CYS A 23 -0.692 2.606 -1.091 1.00 0.00 S ATOM 0 H CYS A 23 -1.521 6.547 -2.495 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.241 5.416 0.061 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.293 4.260 -1.783 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.831 4.345 -2.745 1.00 0.00 H new ATOM 304 N SER A 24 1.573 5.677 -1.687 1.00 0.00 N ATOM 305 CA SER A 24 3.013 5.687 -1.571 1.00 0.00 C ATOM 306 C SER A 24 3.457 6.742 -0.546 1.00 0.00 C ATOM 307 O SER A 24 4.230 6.449 0.368 1.00 0.00 O ATOM 308 CB SER A 24 3.639 6.004 -2.925 1.00 0.00 C ATOM 309 OG SER A 24 3.093 5.201 -3.955 1.00 0.00 O ATOM 0 H SER A 24 1.225 5.913 -2.616 1.00 0.00 H new ATOM 0 HA SER A 24 3.343 4.703 -1.237 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.481 7.056 -3.162 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.716 5.847 -2.874 1.00 0.00 H new ATOM 0 HG SER A 24 3.158 4.256 -3.703 1.00 0.00 H new ATOM 315 N GLN A 25 2.925 7.946 -0.686 1.00 0.00 N ATOM 316 CA GLN A 25 3.282 9.066 0.170 1.00 0.00 C ATOM 317 C GLN A 25 2.867 8.853 1.623 1.00 0.00 C ATOM 318 O GLN A 25 3.655 9.120 2.531 1.00 0.00 O ATOM 319 CB GLN A 25 2.716 10.363 -0.384 1.00 0.00 C ATOM 320 CG GLN A 25 3.383 10.813 -1.667 1.00 0.00 C ATOM 321 CD GLN A 25 2.755 12.057 -2.241 1.00 0.00 C ATOM 322 OE1 GLN A 25 3.142 13.180 -1.908 1.00 0.00 O ATOM 323 NE2 GLN A 25 1.817 11.883 -3.116 1.00 0.00 N ATOM 0 H GLN A 25 2.232 8.174 -1.398 1.00 0.00 H new ATOM 0 HA GLN A 25 4.370 9.135 0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.648 10.237 -0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.823 11.147 0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.440 10.999 -1.477 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.328 10.010 -2.402 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.522 10.939 -3.367 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.372 12.690 -3.554 1.00 0.00 H new ATOM 332 N GLN A 26 1.655 8.351 1.828 1.00 0.00 N ATOM 333 CA GLN A 26 1.124 8.061 3.163 1.00 0.00 C ATOM 334 C GLN A 26 2.051 7.077 3.848 1.00 0.00 C ATOM 335 O GLN A 26 2.514 7.316 4.966 1.00 0.00 O ATOM 336 CB GLN A 26 -0.326 7.495 3.023 1.00 0.00 C ATOM 337 CG GLN A 26 -1.142 7.268 4.311 1.00 0.00 C ATOM 338 CD GLN A 26 -0.749 6.036 5.119 1.00 0.00 C ATOM 339 OE1 GLN A 26 0.087 6.094 5.987 1.00 0.00 O ATOM 340 NE2 GLN A 26 -1.361 4.925 4.840 1.00 0.00 N ATOM 0 H GLN A 26 1.007 8.131 1.072 1.00 0.00 H new ATOM 0 HA GLN A 26 1.073 8.964 3.772 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.890 8.176 2.386 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.263 6.543 2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.040 8.148 4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.196 7.188 4.045 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.064 4.902 4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.139 4.076 5.359 1.00 0.00 H new ATOM 349 N CYS A 27 2.381 6.025 3.134 1.00 0.00 N ATOM 350 CA CYS A 27 3.243 4.990 3.638 1.00 0.00 C ATOM 351 C CYS A 27 4.636 5.539 4.003 1.00 0.00 C ATOM 352 O CYS A 27 5.149 5.251 5.074 1.00 0.00 O ATOM 353 CB CYS A 27 3.346 3.860 2.622 1.00 0.00 C ATOM 354 SG CYS A 27 4.332 2.456 3.181 1.00 0.00 S ATOM 0 H CYS A 27 2.054 5.866 2.181 1.00 0.00 H new ATOM 0 HA CYS A 27 2.805 4.597 4.556 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.342 3.512 2.379 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.779 4.251 1.702 1.00 0.00 H new ATOM 359 N LYS A 28 5.211 6.381 3.138 1.00 0.00 N ATOM 360 CA LYS A 28 6.546 6.962 3.384 1.00 0.00 C ATOM 361 C LYS A 28 6.504 8.027 4.489 1.00 0.00 C ATOM 362 O LYS A 28 7.535 8.377 5.076 1.00 0.00 O ATOM 363 CB LYS A 28 7.107 7.608 2.112 1.00 0.00 C ATOM 364 CG LYS A 28 7.322 6.661 0.950 1.00 0.00 C ATOM 365 CD LYS A 28 7.863 7.406 -0.256 1.00 0.00 C ATOM 366 CE LYS A 28 8.076 6.481 -1.439 1.00 0.00 C ATOM 367 NZ LYS A 28 8.616 7.200 -2.612 1.00 0.00 N ATOM 0 H LYS A 28 4.779 6.678 2.263 1.00 0.00 H new ATOM 0 HA LYS A 28 7.190 6.141 3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.427 8.399 1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.058 8.083 2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.018 5.874 1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.381 6.175 0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.169 8.199 -0.535 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.806 7.885 0.006 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.761 5.682 -1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.130 6.010 -1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.747 6.532 -3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.950 7.946 -2.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.531 7.628 -2.366 1.00 0.00 H new ATOM 381 N ASP A 29 5.334 8.578 4.722 1.00 0.00 N ATOM 382 CA ASP A 29 5.150 9.608 5.735 1.00 0.00 C ATOM 383 C ASP A 29 4.905 9.006 7.112 1.00 0.00 C ATOM 384 O ASP A 29 5.572 9.371 8.087 1.00 0.00 O ATOM 385 CB ASP A 29 4.004 10.549 5.346 1.00 0.00 C ATOM 386 CG ASP A 29 3.712 11.606 6.386 1.00 0.00 C ATOM 387 OD1 ASP A 29 4.458 12.617 6.469 1.00 0.00 O ATOM 388 OD2 ASP A 29 2.718 11.470 7.099 1.00 0.00 O ATOM 0 H ASP A 29 4.482 8.330 4.219 1.00 0.00 H new ATOM 0 HA ASP A 29 6.073 10.185 5.788 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.249 11.037 4.403 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.103 9.960 5.175 1.00 0.00 H new ATOM 393 N ARG A 30 3.984 8.071 7.189 1.00 0.00 N ATOM 394 CA ARG A 30 3.647 7.439 8.462 1.00 0.00 C ATOM 395 C ARG A 30 4.682 6.404 8.848 1.00 0.00 C ATOM 396 O ARG A 30 5.205 6.420 9.967 1.00 0.00 O ATOM 397 CB ARG A 30 2.257 6.783 8.447 1.00 0.00 C ATOM 398 CG ARG A 30 1.041 7.719 8.529 1.00 0.00 C ATOM 399 CD ARG A 30 0.989 8.736 7.408 1.00 0.00 C ATOM 400 NE ARG A 30 -0.366 9.236 7.198 1.00 0.00 N ATOM 401 CZ ARG A 30 -0.692 10.298 6.471 1.00 0.00 C ATOM 402 NH1 ARG A 30 0.231 11.196 6.130 1.00 0.00 N ATOM 403 NH2 ARG A 30 -1.959 10.492 6.144 1.00 0.00 N ATOM 0 H ARG A 30 3.451 7.726 6.391 1.00 0.00 H new ATOM 0 HA ARG A 30 3.635 8.240 9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.170 6.195 7.533 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.203 6.085 9.282 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.130 7.121 8.510 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.059 8.243 9.485 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.653 9.569 7.641 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.357 8.283 6.487 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.127 8.727 7.648 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.199 11.071 6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.030 12.008 5.571 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.672 9.830 6.450 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.223 11.304 5.586 1.00 0.00 H new ATOM 417 N GLU A 31 4.997 5.539 7.923 1.00 0.00 N ATOM 418 CA GLU A 31 5.916 4.460 8.156 1.00 0.00 C ATOM 419 C GLU A 31 7.226 4.771 7.454 1.00 0.00 C ATOM 420 O GLU A 31 7.473 5.921 7.059 1.00 0.00 O ATOM 421 CB GLU A 31 5.325 3.160 7.602 1.00 0.00 C ATOM 422 CG GLU A 31 4.041 2.698 8.273 1.00 0.00 C ATOM 423 CD GLU A 31 4.238 2.337 9.723 1.00 0.00 C ATOM 424 OE1 GLU A 31 4.882 1.306 10.011 1.00 0.00 O ATOM 425 OE2 GLU A 31 3.743 3.052 10.612 1.00 0.00 O ATOM 0 H GLU A 31 4.618 5.564 6.976 1.00 0.00 H new ATOM 0 HA GLU A 31 6.093 4.344 9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.133 3.291 6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.071 2.371 7.697 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.293 3.487 8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.647 1.834 7.738 1.00 0.00 H new ATOM 432 N HIS A 32 8.065 3.777 7.319 1.00 0.00 N ATOM 433 CA HIS A 32 9.319 3.921 6.631 1.00 0.00 C ATOM 434 C HIS A 32 9.453 2.831 5.589 1.00 0.00 C ATOM 435 O HIS A 32 9.889 1.710 5.887 1.00 0.00 O ATOM 436 CB HIS A 32 10.518 3.885 7.599 1.00 0.00 C ATOM 437 CG HIS A 32 10.568 5.014 8.591 1.00 0.00 C ATOM 438 ND1 HIS A 32 11.306 6.154 8.409 1.00 0.00 N ATOM 439 CD2 HIS A 32 9.958 5.155 9.795 1.00 0.00 C ATOM 440 CE1 HIS A 32 11.136 6.943 9.467 1.00 0.00 C ATOM 441 NE2 HIS A 32 10.321 6.384 10.348 1.00 0.00 N ATOM 0 H HIS A 32 7.895 2.840 7.686 1.00 0.00 H new ATOM 0 HA HIS A 32 9.326 4.898 6.147 1.00 0.00 H new ATOM 0 HB2 HIS A 32 10.496 2.942 8.145 1.00 0.00 H new ATOM 0 HB3 HIS A 32 11.438 3.894 7.015 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.298 4.432 10.252 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.601 7.910 9.590 1.00 0.00 H new ATOM 0 HE2 HIS A 32 10.021 6.770 11.243 1.00 0.00 H new ATOM 449 N PHE A 33 8.988 3.123 4.405 1.00 0.00 N ATOM 450 CA PHE A 33 9.091 2.221 3.279 1.00 0.00 C ATOM 451 C PHE A 33 9.508 3.014 2.074 1.00 0.00 C ATOM 452 O PHE A 33 8.722 3.793 1.531 1.00 0.00 O ATOM 453 CB PHE A 33 7.774 1.458 2.993 1.00 0.00 C ATOM 454 CG PHE A 33 7.354 0.469 4.064 1.00 0.00 C ATOM 455 CD1 PHE A 33 7.771 -0.852 4.016 1.00 0.00 C ATOM 456 CD2 PHE A 33 6.539 0.863 5.109 1.00 0.00 C ATOM 457 CE1 PHE A 33 7.383 -1.748 4.991 1.00 0.00 C ATOM 458 CE2 PHE A 33 6.152 -0.032 6.081 1.00 0.00 C ATOM 459 CZ PHE A 33 6.575 -1.336 6.022 1.00 0.00 C ATOM 0 H PHE A 33 8.521 4.003 4.187 1.00 0.00 H new ATOM 0 HA PHE A 33 9.834 1.461 3.520 1.00 0.00 H new ATOM 0 HB2 PHE A 33 6.973 2.185 2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.880 0.923 2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.406 -1.183 3.208 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.201 1.887 5.164 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.715 -2.775 4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.515 0.293 6.891 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.273 -2.037 6.786 1.00 0.00 H new ATOM 469 N ALA A 34 10.733 2.812 1.650 1.00 0.00 N ATOM 470 CA ALA A 34 11.316 3.559 0.549 1.00 0.00 C ATOM 471 C ALA A 34 10.613 3.258 -0.761 1.00 0.00 C ATOM 472 O ALA A 34 10.570 4.095 -1.673 1.00 0.00 O ATOM 473 CB ALA A 34 12.804 3.269 0.444 1.00 0.00 C ATOM 0 H ALA A 34 11.362 2.121 2.059 1.00 0.00 H new ATOM 0 HA ALA A 34 11.182 4.621 0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.227 3.836 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.298 3.559 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.956 2.204 0.270 1.00 0.00 H new ATOM 479 N TYR A 35 10.034 2.085 -0.856 1.00 0.00 N ATOM 480 CA TYR A 35 9.316 1.697 -2.054 1.00 0.00 C ATOM 481 C TYR A 35 7.861 2.121 -1.980 1.00 0.00 C ATOM 482 O TYR A 35 7.082 1.854 -2.887 1.00 0.00 O ATOM 483 CB TYR A 35 9.448 0.203 -2.328 1.00 0.00 C ATOM 484 CG TYR A 35 10.863 -0.219 -2.628 1.00 0.00 C ATOM 485 CD1 TYR A 35 11.720 -0.599 -1.617 1.00 0.00 C ATOM 486 CD2 TYR A 35 11.340 -0.214 -3.924 1.00 0.00 C ATOM 487 CE1 TYR A 35 13.018 -0.966 -1.883 1.00 0.00 C ATOM 488 CE2 TYR A 35 12.638 -0.585 -4.207 1.00 0.00 C ATOM 489 CZ TYR A 35 13.473 -0.959 -3.178 1.00 0.00 C ATOM 490 OH TYR A 35 14.766 -1.334 -3.445 1.00 0.00 O ATOM 0 H TYR A 35 10.044 1.380 -0.119 1.00 0.00 H new ATOM 0 HA TYR A 35 9.772 2.220 -2.895 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.085 -0.353 -1.463 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.809 -0.064 -3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.365 -0.609 -0.597 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.686 0.085 -4.729 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.676 -1.258 -1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 35 12.996 -0.582 -5.226 1.00 0.00 H new ATOM 0 HH TYR A 35 15.104 -1.889 -2.711 1.00 0.00 H new ATOM 500 N GLY A 36 7.517 2.811 -0.899 1.00 0.00 N ATOM 501 CA GLY A 36 6.196 3.348 -0.724 1.00 0.00 C ATOM 502 C GLY A 36 5.138 2.292 -0.637 1.00 0.00 C ATOM 503 O GLY A 36 5.264 1.337 0.120 1.00 0.00 O ATOM 0 H GLY A 36 8.154 3.007 -0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.173 3.952 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.968 4.014 -1.556 1.00 0.00 H new ATOM 507 N GLY A 37 4.145 2.433 -1.451 1.00 0.00 N ATOM 508 CA GLY A 37 3.040 1.555 -1.422 1.00 0.00 C ATOM 509 C GLY A 37 2.214 1.737 -2.640 1.00 0.00 C ATOM 510 O GLY A 37 2.352 2.751 -3.348 1.00 0.00 O ATOM 0 H GLY A 37 4.084 3.167 -2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.387 0.523 -1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.438 1.744 -0.533 1.00 0.00 H new ATOM 514 N ALA A 38 1.378 0.802 -2.908 1.00 0.00 N ATOM 515 CA ALA A 38 0.530 0.858 -4.046 1.00 0.00 C ATOM 516 C ALA A 38 -0.811 0.273 -3.701 1.00 0.00 C ATOM 517 O ALA A 38 -0.952 -0.428 -2.694 1.00 0.00 O ATOM 518 CB ALA A 38 1.163 0.124 -5.210 1.00 0.00 C ATOM 0 H ALA A 38 1.260 -0.035 -2.337 1.00 0.00 H new ATOM 0 HA ALA A 38 0.390 1.897 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.502 0.175 -6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.119 0.587 -5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.324 -0.919 -4.938 1.00 0.00 H new ATOM 524 N CYS A 39 -1.782 0.573 -4.498 1.00 0.00 N ATOM 525 CA CYS A 39 -3.104 0.070 -4.285 1.00 0.00 C ATOM 526 C CYS A 39 -3.160 -1.379 -4.732 1.00 0.00 C ATOM 527 O CYS A 39 -2.967 -1.679 -5.916 1.00 0.00 O ATOM 528 CB CYS A 39 -4.106 0.916 -5.063 1.00 0.00 C ATOM 529 SG CYS A 39 -4.057 2.694 -4.648 1.00 0.00 S ATOM 0 H CYS A 39 -1.684 1.174 -5.317 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.359 0.124 -3.227 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.916 0.797 -6.130 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.110 0.537 -4.874 1.00 0.00 H new ATOM 534 N HIS A 40 -3.389 -2.262 -3.797 1.00 0.00 N ATOM 535 CA HIS A 40 -3.441 -3.676 -4.074 1.00 0.00 C ATOM 536 C HIS A 40 -4.809 -4.180 -3.665 1.00 0.00 C ATOM 537 O HIS A 40 -5.317 -3.814 -2.588 1.00 0.00 O ATOM 538 CB HIS A 40 -2.306 -4.402 -3.316 1.00 0.00 C ATOM 539 CG HIS A 40 -2.146 -5.876 -3.601 1.00 0.00 C ATOM 540 ND1 HIS A 40 -1.155 -6.397 -4.404 1.00 0.00 N ATOM 541 CD2 HIS A 40 -2.848 -6.942 -3.142 1.00 0.00 C ATOM 542 CE1 HIS A 40 -1.279 -7.725 -4.418 1.00 0.00 C ATOM 543 NE2 HIS A 40 -2.295 -8.112 -3.663 1.00 0.00 N ATOM 0 H HIS A 40 -3.545 -2.022 -2.818 1.00 0.00 H new ATOM 0 HA HIS A 40 -3.293 -3.875 -5.135 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.365 -3.904 -3.551 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.475 -4.277 -2.246 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -3.699 -6.893 -2.479 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -0.637 -8.394 -4.971 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.609 -9.068 -3.497 1.00 0.00 H new ATOM 551 N TYR A 41 -5.439 -4.934 -4.536 1.00 0.00 N ATOM 552 CA TYR A 41 -6.762 -5.423 -4.272 1.00 0.00 C ATOM 553 C TYR A 41 -6.783 -6.402 -3.112 1.00 0.00 C ATOM 554 O TYR A 41 -5.969 -7.318 -3.027 1.00 0.00 O ATOM 555 CB TYR A 41 -7.422 -6.037 -5.520 1.00 0.00 C ATOM 556 CG TYR A 41 -8.890 -6.381 -5.299 1.00 0.00 C ATOM 557 CD1 TYR A 41 -9.876 -5.422 -5.473 1.00 0.00 C ATOM 558 CD2 TYR A 41 -9.281 -7.650 -4.889 1.00 0.00 C ATOM 559 CE1 TYR A 41 -11.204 -5.713 -5.247 1.00 0.00 C ATOM 560 CE2 TYR A 41 -10.607 -7.950 -4.666 1.00 0.00 C ATOM 561 CZ TYR A 41 -11.564 -6.981 -4.844 1.00 0.00 C ATOM 562 OH TYR A 41 -12.882 -7.279 -4.609 1.00 0.00 O ATOM 0 H TYR A 41 -5.051 -5.220 -5.435 1.00 0.00 H new ATOM 0 HA TYR A 41 -7.355 -4.554 -3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.338 -5.338 -6.352 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.881 -6.939 -5.806 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.598 -4.428 -5.792 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.532 -8.414 -4.743 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -11.958 -4.952 -5.385 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.893 -8.943 -4.352 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.277 -6.587 -4.038 1.00 0.00 H new ATOM 572 N GLN A 42 -7.708 -6.184 -2.236 1.00 0.00 N ATOM 573 CA GLN A 42 -7.948 -7.017 -1.108 1.00 0.00 C ATOM 574 C GLN A 42 -9.443 -7.177 -1.056 1.00 0.00 C ATOM 575 O GLN A 42 -10.146 -6.379 -1.656 1.00 0.00 O ATOM 576 CB GLN A 42 -7.429 -6.333 0.163 1.00 0.00 C ATOM 577 CG GLN A 42 -7.665 -7.122 1.442 1.00 0.00 C ATOM 578 CD GLN A 42 -7.166 -6.411 2.670 1.00 0.00 C ATOM 579 OE1 GLN A 42 -6.024 -6.589 3.097 1.00 0.00 O ATOM 580 NE2 GLN A 42 -8.002 -5.603 3.242 1.00 0.00 N ATOM 0 H GLN A 42 -8.342 -5.387 -2.291 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.442 -7.979 -1.181 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.360 -6.153 0.053 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.908 -5.358 0.258 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.732 -7.318 1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.170 -8.090 1.362 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.939 -5.483 2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.723 -5.087 4.076 1.00 0.00 H new ATOM 589 N PHE A 43 -9.933 -8.180 -0.408 1.00 0.00 N ATOM 590 CA PHE A 43 -11.345 -8.363 -0.331 1.00 0.00 C ATOM 591 C PHE A 43 -11.923 -7.441 0.751 1.00 0.00 C ATOM 592 O PHE A 43 -11.376 -7.369 1.864 1.00 0.00 O ATOM 593 CB PHE A 43 -11.710 -9.835 -0.057 1.00 0.00 C ATOM 594 CG PHE A 43 -13.194 -10.081 0.007 1.00 0.00 C ATOM 595 CD1 PHE A 43 -13.938 -10.178 -1.153 1.00 0.00 C ATOM 596 CD2 PHE A 43 -13.844 -10.199 1.225 1.00 0.00 C ATOM 597 CE1 PHE A 43 -15.297 -10.383 -1.100 1.00 0.00 C ATOM 598 CE2 PHE A 43 -15.201 -10.408 1.283 1.00 0.00 C ATOM 599 CZ PHE A 43 -15.929 -10.499 0.118 1.00 0.00 C ATOM 0 H PHE A 43 -9.378 -8.886 0.076 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.783 -8.100 -1.294 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.279 -10.460 -0.839 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.257 -10.145 0.885 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -13.447 -10.092 -2.111 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -13.277 -10.126 2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -15.869 -10.453 -2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -15.695 -10.501 2.239 1.00 0.00 H new ATOM 0 HZ PHE A 43 -16.996 -10.661 0.159 1.00 0.00 H new ATOM 609 N PRO A 44 -13.004 -6.695 0.454 1.00 0.00 N ATOM 610 CA PRO A 44 -13.654 -6.649 -0.858 1.00 0.00 C ATOM 611 C PRO A 44 -13.326 -5.364 -1.635 1.00 0.00 C ATOM 612 O PRO A 44 -13.988 -5.036 -2.622 1.00 0.00 O ATOM 613 CB PRO A 44 -15.135 -6.636 -0.462 1.00 0.00 C ATOM 614 CG PRO A 44 -15.182 -6.072 0.939 1.00 0.00 C ATOM 615 CD PRO A 44 -13.751 -5.892 1.407 1.00 0.00 C ATOM 0 HA PRO A 44 -13.344 -7.466 -1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.718 -6.024 -1.150 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.557 -7.641 -0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.712 -5.120 0.951 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.721 -6.745 1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.445 -4.846 1.384 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.612 -6.242 2.430 1.00 0.00 H new ATOM 623 N SER A 45 -12.303 -4.663 -1.207 1.00 0.00 N ATOM 624 CA SER A 45 -11.951 -3.399 -1.798 1.00 0.00 C ATOM 625 C SER A 45 -10.432 -3.202 -1.848 1.00 0.00 C ATOM 626 O SER A 45 -9.710 -3.619 -0.929 1.00 0.00 O ATOM 627 CB SER A 45 -12.655 -2.276 -1.028 1.00 0.00 C ATOM 628 OG SER A 45 -12.538 -2.476 0.386 1.00 0.00 O ATOM 0 H SER A 45 -11.695 -4.954 -0.442 1.00 0.00 H new ATOM 0 HA SER A 45 -12.289 -3.379 -2.834 1.00 0.00 H new ATOM 0 HB2 SER A 45 -12.220 -1.314 -1.301 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.708 -2.241 -1.309 1.00 0.00 H new ATOM 0 HG SER A 45 -12.993 -1.747 0.858 1.00 0.00 H new ATOM 634 N VAL A 46 -9.954 -2.594 -2.920 1.00 0.00 N ATOM 635 CA VAL A 46 -8.534 -2.352 -3.094 1.00 0.00 C ATOM 636 C VAL A 46 -8.021 -1.347 -2.066 1.00 0.00 C ATOM 637 O VAL A 46 -8.555 -0.241 -1.919 1.00 0.00 O ATOM 638 CB VAL A 46 -8.146 -1.980 -4.574 1.00 0.00 C ATOM 639 CG1 VAL A 46 -8.955 -0.852 -5.110 1.00 0.00 C ATOM 640 CG2 VAL A 46 -6.688 -1.637 -4.707 1.00 0.00 C ATOM 0 H VAL A 46 -10.535 -2.257 -3.688 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.021 -3.295 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.360 -2.874 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.647 -0.637 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.011 -1.124 -5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.801 0.032 -4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.466 -1.387 -5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.456 -0.783 -4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.084 -2.492 -4.403 1.00 0.00 H new ATOM 650 N LYS A 47 -7.000 -1.746 -1.357 1.00 0.00 N ATOM 651 CA LYS A 47 -6.493 -0.992 -0.252 1.00 0.00 C ATOM 652 C LYS A 47 -5.008 -0.705 -0.474 1.00 0.00 C ATOM 653 O LYS A 47 -4.394 -1.275 -1.371 1.00 0.00 O ATOM 654 CB LYS A 47 -6.746 -1.802 1.037 1.00 0.00 C ATOM 655 CG LYS A 47 -6.410 -1.102 2.339 1.00 0.00 C ATOM 656 CD LYS A 47 -6.808 -1.957 3.520 1.00 0.00 C ATOM 657 CE LYS A 47 -6.481 -1.280 4.830 1.00 0.00 C ATOM 658 NZ LYS A 47 -6.987 -2.050 5.972 1.00 0.00 N ATOM 0 H LYS A 47 -6.494 -2.614 -1.535 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.997 -0.030 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.798 -2.088 1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.166 -2.724 0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.341 -0.891 2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.926 -0.143 2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.877 -2.167 3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.292 -2.916 3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.401 -1.160 4.920 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.915 -0.280 4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.746 -1.558 6.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.020 -2.143 5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.554 -2.995 5.973 1.00 0.00 H new ATOM 672 N CYS A 48 -4.468 0.205 0.292 1.00 0.00 N ATOM 673 CA CYS A 48 -3.077 0.588 0.193 1.00 0.00 C ATOM 674 C CYS A 48 -2.197 -0.476 0.830 1.00 0.00 C ATOM 675 O CYS A 48 -2.446 -0.911 1.974 1.00 0.00 O ATOM 676 CB CYS A 48 -2.877 1.941 0.882 1.00 0.00 C ATOM 677 SG CYS A 48 -1.189 2.615 0.865 1.00 0.00 S ATOM 0 H CYS A 48 -4.984 0.710 1.012 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.794 0.679 -0.856 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.539 2.666 0.409 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.197 1.846 1.920 1.00 0.00 H new ATOM 682 N PHE A 49 -1.237 -0.938 0.075 1.00 0.00 N ATOM 683 CA PHE A 49 -0.281 -1.914 0.527 1.00 0.00 C ATOM 684 C PHE A 49 1.119 -1.378 0.306 1.00 0.00 C ATOM 685 O PHE A 49 1.490 -1.056 -0.827 1.00 0.00 O ATOM 686 CB PHE A 49 -0.428 -3.246 -0.232 1.00 0.00 C ATOM 687 CG PHE A 49 -1.603 -4.132 0.143 1.00 0.00 C ATOM 688 CD1 PHE A 49 -2.911 -3.713 -0.011 1.00 0.00 C ATOM 689 CD2 PHE A 49 -1.377 -5.403 0.634 1.00 0.00 C ATOM 690 CE1 PHE A 49 -3.961 -4.542 0.320 1.00 0.00 C ATOM 691 CE2 PHE A 49 -2.422 -6.236 0.962 1.00 0.00 C ATOM 692 CZ PHE A 49 -3.715 -5.805 0.805 1.00 0.00 C ATOM 0 H PHE A 49 -1.094 -0.641 -0.890 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.463 -2.100 1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.500 -3.022 -1.296 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.487 -3.820 -0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.113 -2.724 -0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.362 -5.749 0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.978 -4.199 0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.225 -7.227 1.342 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.538 -6.456 1.062 1.00 0.00 H new ATOM 702 N CYS A 50 1.875 -1.268 1.364 1.00 0.00 N ATOM 703 CA CYS A 50 3.248 -0.813 1.290 1.00 0.00 C ATOM 704 C CYS A 50 4.116 -1.879 0.653 1.00 0.00 C ATOM 705 O CYS A 50 3.982 -3.065 0.954 1.00 0.00 O ATOM 706 CB CYS A 50 3.787 -0.457 2.674 1.00 0.00 C ATOM 707 SG CYS A 50 2.979 0.977 3.453 1.00 0.00 S ATOM 0 H CYS A 50 1.560 -1.491 2.308 1.00 0.00 H new ATOM 0 HA CYS A 50 3.273 0.086 0.675 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.673 -1.322 3.328 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.855 -0.257 2.593 1.00 0.00 H new ATOM 712 N LYS A 51 4.993 -1.475 -0.217 1.00 0.00 N ATOM 713 CA LYS A 51 5.838 -2.412 -0.899 1.00 0.00 C ATOM 714 C LYS A 51 7.167 -2.480 -0.176 1.00 0.00 C ATOM 715 O LYS A 51 7.970 -1.556 -0.252 1.00 0.00 O ATOM 716 CB LYS A 51 6.029 -2.006 -2.375 1.00 0.00 C ATOM 717 CG LYS A 51 4.707 -1.719 -3.109 1.00 0.00 C ATOM 718 CD LYS A 51 4.916 -1.397 -4.588 1.00 0.00 C ATOM 719 CE LYS A 51 5.277 -2.634 -5.406 1.00 0.00 C ATOM 720 NZ LYS A 51 4.135 -3.572 -5.555 1.00 0.00 N ATOM 0 H LYS A 51 5.143 -0.499 -0.473 1.00 0.00 H new ATOM 0 HA LYS A 51 5.372 -3.397 -0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.661 -1.119 -2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.560 -2.802 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.050 -2.584 -3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.202 -0.883 -2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.008 -0.950 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.708 -0.655 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.620 -2.325 -6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.108 -3.152 -4.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.412 -4.361 -6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.866 -3.943 -4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.326 -3.070 -5.974 1.00 0.00 H new ATOM 734 N ARG A 52 7.369 -3.530 0.581 1.00 0.00 N ATOM 735 CA ARG A 52 8.613 -3.677 1.297 1.00 0.00 C ATOM 736 C ARG A 52 9.554 -4.506 0.463 1.00 0.00 C ATOM 737 O ARG A 52 9.107 -5.372 -0.305 1.00 0.00 O ATOM 738 CB ARG A 52 8.424 -4.302 2.700 1.00 0.00 C ATOM 739 CG ARG A 52 8.112 -5.795 2.727 1.00 0.00 C ATOM 740 CD ARG A 52 7.997 -6.306 4.161 1.00 0.00 C ATOM 741 NE ARG A 52 7.919 -7.781 4.229 1.00 0.00 N ATOM 742 CZ ARG A 52 7.313 -8.488 5.209 1.00 0.00 C ATOM 743 NH1 ARG A 52 6.645 -7.866 6.179 1.00 0.00 N ATOM 744 NH2 ARG A 52 7.395 -9.815 5.214 1.00 0.00 N ATOM 0 H ARG A 52 6.698 -4.287 0.717 1.00 0.00 H new ATOM 0 HA ARG A 52 9.032 -2.685 1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.331 -4.129 3.279 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.617 -3.773 3.207 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.180 -5.985 2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.896 -6.343 2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.857 -5.963 4.736 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.110 -5.876 4.627 1.00 0.00 H new ATOM 0 HE ARG A 52 8.359 -8.308 3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.587 -6.848 6.187 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.191 -8.408 6.914 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.914 -10.297 4.480 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.939 -10.351 5.952 1.00 0.00 H new ATOM 758 N GLN A 53 10.826 -4.260 0.591 1.00 0.00 N ATOM 759 CA GLN A 53 11.786 -4.987 -0.186 1.00 0.00 C ATOM 760 C GLN A 53 12.067 -6.315 0.479 1.00 0.00 C ATOM 761 O GLN A 53 12.472 -6.365 1.649 1.00 0.00 O ATOM 762 CB GLN A 53 13.077 -4.199 -0.362 1.00 0.00 C ATOM 763 CG GLN A 53 14.003 -4.819 -1.391 1.00 0.00 C ATOM 764 CD GLN A 53 15.355 -4.162 -1.481 1.00 0.00 C ATOM 765 OE1 GLN A 53 15.507 -2.957 -1.233 1.00 0.00 O ATOM 766 NE2 GLN A 53 16.343 -4.930 -1.840 1.00 0.00 N ATOM 0 H GLN A 53 11.221 -3.564 1.224 1.00 0.00 H new ATOM 0 HA GLN A 53 11.369 -5.155 -1.179 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.838 -3.179 -0.662 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.594 -4.137 0.596 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.139 -5.874 -1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.524 -4.773 -2.369 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.177 -5.917 -2.035 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.283 -4.545 -1.926 1.00 0.00 H new ATOM 775 N CYS A 54 11.843 -7.370 -0.231 1.00 0.00 N ATOM 776 CA CYS A 54 12.066 -8.682 0.296 1.00 0.00 C ATOM 777 C CYS A 54 13.322 -9.267 -0.307 1.00 0.00 C ATOM 778 O CYS A 54 14.390 -9.177 0.341 1.00 0.00 O ATOM 779 CB CYS A 54 10.839 -9.568 0.083 1.00 0.00 C ATOM 780 SG CYS A 54 9.359 -8.946 0.961 1.00 0.00 S ATOM 781 OXT CYS A 54 13.283 -9.734 -1.459 1.00 0.00 O ATOM 0 H CYS A 54 11.501 -7.351 -1.192 1.00 0.00 H new ATOM 0 HA CYS A 54 12.217 -8.622 1.374 1.00 0.00 H new ATOM 0 HB2 CYS A 54 10.623 -9.633 -0.983 1.00 0.00 H new ATOM 0 HB3 CYS A 54 11.062 -10.579 0.425 1.00 0.00 H new TER 786 CYS A 54