USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 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 18 THR OG1 : rot -67:sc= 0.116 USER MOD Set 1.2: A 67 MET CE :methyl -154:sc= -1.52 (180deg=-2.89!) USER MOD Set 2.1: A 14 TYR OH : rot 30:sc= 0.0448 USER MOD Set 2.2: A 23 LYS NZ :NH3+ -154:sc= 0.0469 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ -145:sc= 0 (180deg=-0.185) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0.0712 USER MOD Single : A 13 HIS : no HD1:sc= -0.616 X(o=-0.62,f=-0.42) USER MOD Single : A 21 SER OG : rot -15:sc= 0.425 USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= -0.635 (180deg=-2.59!) USER MOD Single : A 33 GLN : amide:sc= -0.7 X(o=-0.7,f=-0.67) USER MOD Single : A 34 HIS : no HE2:sc= -0.865 X(o=-0.87,f=-1.1) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 36 TYR OH : rot 120:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.1) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -31:sc= 0.597 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.454 X(o=-0.45,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 12.077 5.292 3.582 1.00 0.00 N ATOM 2 CA LEU A 1 10.733 5.827 3.353 1.00 0.00 C ATOM 3 C LEU A 1 9.884 4.845 2.599 1.00 0.00 C ATOM 4 O LEU A 1 10.333 4.231 1.632 1.00 0.00 O ATOM 5 CB LEU A 1 10.775 7.135 2.515 1.00 0.00 C ATOM 6 CG LEU A 1 11.509 8.342 3.151 1.00 0.00 C ATOM 7 CD1 LEU A 1 11.572 9.526 2.167 1.00 0.00 C ATOM 8 CD2 LEU A 1 10.900 8.770 4.499 1.00 0.00 C ATOM 0 H1 LEU A 1 12.427 5.616 4.506 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.044 4.253 3.570 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.716 5.627 2.833 1.00 0.00 H new ATOM 0 HA LEU A 1 10.311 6.025 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.250 6.912 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.749 7.435 2.299 1.00 0.00 H new ATOM 0 HG LEU A 1 12.526 8.014 3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 1 12.092 10.362 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.109 9.224 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.560 9.832 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.456 9.619 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.858 9.054 4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.955 7.940 5.203 1.00 0.00 H new ATOM 22 N CYS A 2 8.578 4.752 3.000 1.00 0.00 N ATOM 23 CA CYS A 2 7.483 3.986 2.450 1.00 0.00 C ATOM 24 C CYS A 2 7.254 4.651 1.128 1.00 0.00 C ATOM 25 O CYS A 2 7.246 5.876 1.064 1.00 0.00 O ATOM 26 CB CYS A 2 6.224 3.982 3.368 1.00 0.00 C ATOM 27 SG CYS A 2 4.835 3.041 2.654 1.00 0.00 S ATOM 0 H CYS A 2 8.264 5.284 3.811 1.00 0.00 H new ATOM 0 HA CYS A 2 7.705 2.923 2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.487 3.556 4.336 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.907 5.009 3.548 1.00 0.00 H new ATOM 32 N LEU A 3 7.085 3.860 0.049 1.00 0.00 N ATOM 33 CA LEU A 3 6.952 4.410 -1.273 1.00 0.00 C ATOM 34 C LEU A 3 5.552 4.268 -1.783 1.00 0.00 C ATOM 35 O LEU A 3 5.282 4.294 -2.983 1.00 0.00 O ATOM 36 CB LEU A 3 7.924 3.705 -2.221 1.00 0.00 C ATOM 37 CG LEU A 3 9.398 4.067 -1.926 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.394 3.100 -2.585 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.727 5.527 -2.296 1.00 0.00 C ATOM 0 H LEU A 3 7.040 2.842 0.089 1.00 0.00 H new ATOM 0 HA LEU A 3 7.187 5.473 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.793 2.626 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.685 3.975 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 3 9.513 3.962 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.412 3.405 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.220 2.090 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.258 3.118 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.773 5.733 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.548 5.682 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.092 6.200 -1.720 1.00 0.00 H new ATOM 51 N VAL A 4 4.632 4.143 -0.821 1.00 0.00 N ATOM 52 CA VAL A 4 3.222 3.959 -1.023 1.00 0.00 C ATOM 53 C VAL A 4 2.480 5.062 -0.356 1.00 0.00 C ATOM 54 O VAL A 4 1.809 5.842 -1.024 1.00 0.00 O ATOM 55 CB VAL A 4 2.717 2.597 -0.489 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.247 2.322 -0.852 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.691 1.472 -0.861 1.00 0.00 C ATOM 0 H VAL A 4 4.882 4.171 0.167 1.00 0.00 H new ATOM 0 HA VAL A 4 3.042 3.971 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 4 2.709 2.639 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.948 1.353 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.615 3.101 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.135 2.316 -1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.316 0.524 -0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.781 1.413 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.669 1.679 -0.426 1.00 0.00 H new ATOM 67 N CYS A 5 2.550 5.105 0.993 1.00 0.00 N ATOM 68 CA CYS A 5 1.815 6.063 1.788 1.00 0.00 C ATOM 69 C CYS A 5 2.786 7.081 2.326 1.00 0.00 C ATOM 70 O CYS A 5 2.479 7.828 3.251 1.00 0.00 O ATOM 71 CB CYS A 5 0.889 5.427 2.871 1.00 0.00 C ATOM 72 SG CYS A 5 1.665 4.518 4.263 1.00 0.00 S ATOM 0 H CYS A 5 3.124 4.467 1.544 1.00 0.00 H new ATOM 0 HA CYS A 5 1.096 6.570 1.144 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.279 6.225 3.295 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.210 4.741 2.365 1.00 0.00 H new ATOM 77 N SER A 6 3.978 7.138 1.681 1.00 0.00 N ATOM 78 CA SER A 6 5.024 8.149 1.805 1.00 0.00 C ATOM 79 C SER A 6 5.293 8.673 3.192 1.00 0.00 C ATOM 80 O SER A 6 5.152 9.859 3.491 1.00 0.00 O ATOM 81 CB SER A 6 4.864 9.272 0.760 1.00 0.00 C ATOM 82 OG SER A 6 4.315 8.785 -0.460 1.00 0.00 O ATOM 0 H SER A 6 4.240 6.415 1.011 1.00 0.00 H new ATOM 0 HA SER A 6 5.939 7.602 1.580 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.219 10.054 1.162 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.835 9.728 0.565 1.00 0.00 H new ATOM 0 HG SER A 6 4.227 9.524 -1.097 1.00 0.00 H new ATOM 88 N ASP A 7 5.669 7.719 4.059 1.00 0.00 N ATOM 89 CA ASP A 7 5.878 7.901 5.473 1.00 0.00 C ATOM 90 C ASP A 7 7.207 7.243 5.712 1.00 0.00 C ATOM 91 O ASP A 7 7.756 6.643 4.800 1.00 0.00 O ATOM 92 CB ASP A 7 4.719 7.145 6.187 1.00 0.00 C ATOM 93 CG ASP A 7 4.655 7.295 7.715 1.00 0.00 C ATOM 94 OD1 ASP A 7 4.533 8.452 8.195 1.00 0.00 O ATOM 95 OD2 ASP A 7 4.734 6.249 8.414 1.00 0.00 O ATOM 0 H ASP A 7 5.839 6.759 3.761 1.00 0.00 H new ATOM 0 HA ASP A 7 5.883 8.931 5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.774 7.491 5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.803 6.085 5.949 1.00 0.00 H new ATOM 100 N GLU A 8 7.749 7.294 6.955 1.00 0.00 N ATOM 101 CA GLU A 8 9.001 6.669 7.344 1.00 0.00 C ATOM 102 C GLU A 8 8.847 5.162 7.343 1.00 0.00 C ATOM 103 O GLU A 8 8.030 4.629 8.094 1.00 0.00 O ATOM 104 CB GLU A 8 9.610 7.197 8.672 1.00 0.00 C ATOM 105 CG GLU A 8 9.184 8.627 9.095 1.00 0.00 C ATOM 106 CD GLU A 8 9.699 9.699 8.124 1.00 0.00 C ATOM 107 OE1 GLU A 8 10.945 9.845 8.003 1.00 0.00 O ATOM 108 OE2 GLU A 8 8.849 10.381 7.491 1.00 0.00 O ATOM 0 H GLU A 8 7.299 7.790 7.724 1.00 0.00 H new ATOM 0 HA GLU A 8 9.735 6.957 6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.340 6.507 9.472 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.696 7.174 8.585 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.097 8.679 9.147 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.562 8.835 10.096 1.00 0.00 H new ATOM 115 N ALA A 9 9.624 4.448 6.483 1.00 0.00 N ATOM 116 CA ALA A 9 9.555 3.005 6.340 1.00 0.00 C ATOM 117 C ALA A 9 10.381 2.345 7.407 1.00 0.00 C ATOM 118 O ALA A 9 11.300 2.948 7.960 1.00 0.00 O ATOM 119 CB ALA A 9 10.003 2.481 4.961 1.00 0.00 C ATOM 0 H ALA A 9 10.316 4.882 5.873 1.00 0.00 H new ATOM 0 HA ALA A 9 8.500 2.750 6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.920 1.394 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.367 2.908 4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.039 2.769 4.781 1.00 0.00 H new ATOM 125 N SER A 10 10.037 1.066 7.705 1.00 0.00 N ATOM 126 CA SER A 10 10.667 0.270 8.732 1.00 0.00 C ATOM 127 C SER A 10 11.190 -1.012 8.125 1.00 0.00 C ATOM 128 O SER A 10 11.118 -2.079 8.736 1.00 0.00 O ATOM 129 CB SER A 10 9.724 0.020 9.938 1.00 0.00 C ATOM 130 OG SER A 10 8.470 -0.533 9.550 1.00 0.00 O ATOM 0 H SER A 10 9.294 0.569 7.213 1.00 0.00 H new ATOM 0 HA SER A 10 11.513 0.825 9.138 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.212 -0.655 10.642 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.555 0.960 10.463 1.00 0.00 H new ATOM 0 HG SER A 10 7.914 -0.673 10.345 1.00 0.00 H new ATOM 136 N GLY A 11 11.751 -0.914 6.893 1.00 0.00 N ATOM 137 CA GLY A 11 12.360 -2.015 6.177 1.00 0.00 C ATOM 138 C GLY A 11 11.512 -2.388 5.005 1.00 0.00 C ATOM 139 O GLY A 11 10.293 -2.229 5.030 1.00 0.00 O ATOM 0 H GLY A 11 11.782 -0.036 6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.358 -1.734 5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.477 -2.872 6.840 1.00 0.00 H new ATOM 143 N CYS A 12 12.165 -2.934 3.946 1.00 0.00 N ATOM 144 CA CYS A 12 11.545 -3.375 2.709 1.00 0.00 C ATOM 145 C CYS A 12 10.990 -4.762 2.917 1.00 0.00 C ATOM 146 O CYS A 12 11.549 -5.548 3.683 1.00 0.00 O ATOM 147 CB CYS A 12 12.518 -3.344 1.494 1.00 0.00 C ATOM 148 SG CYS A 12 14.120 -4.198 1.754 1.00 0.00 S ATOM 0 H CYS A 12 13.175 -3.076 3.950 1.00 0.00 H new ATOM 0 HA CYS A 12 10.744 -2.677 2.464 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.018 -3.796 0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.717 -2.304 1.235 1.00 0.00 H new ATOM 0 HG CYS A 12 14.841 -4.106 0.676 1.00 0.00 H new ATOM 154 N HIS A 13 9.852 -5.074 2.251 1.00 0.00 N ATOM 155 CA HIS A 13 9.208 -6.355 2.407 1.00 0.00 C ATOM 156 C HIS A 13 8.481 -6.537 1.128 1.00 0.00 C ATOM 157 O HIS A 13 7.737 -5.652 0.707 1.00 0.00 O ATOM 158 CB HIS A 13 8.185 -6.443 3.564 1.00 0.00 C ATOM 159 CG HIS A 13 8.810 -6.426 4.933 1.00 0.00 C ATOM 160 ND1 HIS A 13 9.025 -5.240 5.618 1.00 0.00 N ATOM 161 CD2 HIS A 13 9.250 -7.483 5.666 1.00 0.00 C ATOM 162 CE1 HIS A 13 9.597 -5.608 6.749 1.00 0.00 C ATOM 163 NE2 HIS A 13 9.757 -6.954 6.830 1.00 0.00 N ATOM 0 H HIS A 13 9.379 -4.441 1.606 1.00 0.00 H new ATOM 0 HA HIS A 13 9.958 -7.109 2.644 1.00 0.00 H new ATOM 0 HB2 HIS A 13 7.487 -5.609 3.483 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.603 -7.358 3.452 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.210 -8.526 5.390 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.903 -4.918 7.521 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.173 -7.472 7.604 1.00 0.00 H new ATOM 171 N TYR A 14 8.695 -7.713 0.478 1.00 0.00 N ATOM 172 CA TYR A 14 8.119 -8.107 -0.787 1.00 0.00 C ATOM 173 C TYR A 14 9.093 -7.536 -1.783 1.00 0.00 C ATOM 174 O TYR A 14 10.273 -7.880 -1.720 1.00 0.00 O ATOM 175 CB TYR A 14 6.576 -7.882 -0.944 1.00 0.00 C ATOM 176 CG TYR A 14 5.870 -8.518 0.259 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.079 -9.868 0.620 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.037 -7.767 1.095 1.00 0.00 C ATOM 179 CE1 TYR A 14 5.599 -10.402 1.820 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.541 -8.294 2.289 1.00 0.00 C ATOM 181 CZ TYR A 14 4.833 -9.604 2.669 1.00 0.00 C ATOM 182 OH TYR A 14 4.349 -10.110 3.894 1.00 0.00 O ATOM 0 H TYR A 14 9.309 -8.431 0.862 1.00 0.00 H new ATOM 0 HA TYR A 14 8.036 -9.183 -0.941 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.351 -6.817 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.220 -8.329 -1.872 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.628 -10.509 -0.054 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.772 -6.759 0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.820 -11.425 2.087 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.923 -7.679 2.927 1.00 0.00 H new ATOM 0 HH TYR A 14 4.969 -10.788 4.236 1.00 0.00 H new ATOM 192 N GLY A 15 8.666 -6.629 -2.682 1.00 0.00 N ATOM 193 CA GLY A 15 9.536 -6.047 -3.683 1.00 0.00 C ATOM 194 C GLY A 15 10.048 -4.653 -3.397 1.00 0.00 C ATOM 195 O GLY A 15 10.980 -4.230 -4.080 1.00 0.00 O ATOM 0 H GLY A 15 7.705 -6.289 -2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.394 -6.706 -3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.000 -6.027 -4.632 1.00 0.00 H new ATOM 199 N VAL A 16 9.486 -3.890 -2.409 1.00 0.00 N ATOM 200 CA VAL A 16 9.801 -2.466 -2.278 1.00 0.00 C ATOM 201 C VAL A 16 9.942 -2.100 -0.830 1.00 0.00 C ATOM 202 O VAL A 16 9.411 -2.767 0.056 1.00 0.00 O ATOM 203 CB VAL A 16 8.692 -1.555 -2.907 1.00 0.00 C ATOM 204 CG1 VAL A 16 8.956 -0.043 -2.986 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.291 -2.009 -4.311 1.00 0.00 C ATOM 0 H VAL A 16 8.829 -4.245 -1.715 1.00 0.00 H new ATOM 0 HA VAL A 16 10.736 -2.300 -2.813 1.00 0.00 H new ATOM 0 HB VAL A 16 7.896 -1.691 -2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.100 0.452 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.110 0.352 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.846 0.140 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.520 -1.345 -4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.162 -1.979 -4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.905 -3.027 -4.268 1.00 0.00 H new ATOM 215 N LEU A 17 10.589 -0.921 -0.622 1.00 0.00 N ATOM 216 CA LEU A 17 10.818 -0.213 0.621 1.00 0.00 C ATOM 217 C LEU A 17 9.495 0.404 1.007 1.00 0.00 C ATOM 218 O LEU A 17 9.119 1.463 0.508 1.00 0.00 O ATOM 219 CB LEU A 17 11.944 0.845 0.528 1.00 0.00 C ATOM 220 CG LEU A 17 12.342 1.543 1.856 1.00 0.00 C ATOM 221 CD1 LEU A 17 12.759 0.555 2.961 1.00 0.00 C ATOM 222 CD2 LEU A 17 13.427 2.610 1.619 1.00 0.00 C ATOM 0 H LEU A 17 10.993 -0.413 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 17 11.171 -0.907 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.831 0.365 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.635 1.612 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 17 11.444 2.041 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.025 1.108 3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.930 -0.118 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.618 -0.025 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.686 3.082 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.313 2.139 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 17 13.050 3.365 0.928 1.00 0.00 H new ATOM 234 N THR A 18 8.765 -0.293 1.898 1.00 0.00 N ATOM 235 CA THR A 18 7.443 0.055 2.355 1.00 0.00 C ATOM 236 C THR A 18 7.560 0.202 3.828 1.00 0.00 C ATOM 237 O THR A 18 8.597 -0.099 4.412 1.00 0.00 O ATOM 238 CB THR A 18 6.415 -1.099 2.076 1.00 0.00 C ATOM 239 OG1 THR A 18 7.034 -2.385 2.099 1.00 0.00 O ATOM 240 CG2 THR A 18 5.674 -0.920 0.754 1.00 0.00 C ATOM 0 H THR A 18 9.114 -1.150 2.327 1.00 0.00 H new ATOM 0 HA THR A 18 7.093 0.953 1.846 1.00 0.00 H new ATOM 0 HB THR A 18 5.689 -1.040 2.887 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.654 -2.463 1.344 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.977 -1.746 0.613 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.124 0.021 0.770 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.392 -0.907 -0.066 1.00 0.00 H new ATOM 248 N CYS A 19 6.449 0.645 4.471 1.00 0.00 N ATOM 249 CA CYS A 19 6.392 0.840 5.910 1.00 0.00 C ATOM 250 C CYS A 19 6.182 -0.503 6.605 1.00 0.00 C ATOM 251 O CYS A 19 6.569 -1.555 6.093 1.00 0.00 O ATOM 252 CB CYS A 19 5.430 1.962 6.415 1.00 0.00 C ATOM 253 SG CYS A 19 3.655 1.820 6.018 1.00 0.00 S ATOM 0 H CYS A 19 5.578 0.872 3.991 1.00 0.00 H new ATOM 0 HA CYS A 19 7.363 1.242 6.198 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.525 2.019 7.499 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.786 2.911 6.014 1.00 0.00 H new ATOM 258 N GLY A 20 5.552 -0.491 7.801 1.00 0.00 N ATOM 259 CA GLY A 20 5.248 -1.674 8.574 1.00 0.00 C ATOM 260 C GLY A 20 3.906 -2.186 8.142 1.00 0.00 C ATOM 261 O GLY A 20 3.738 -3.380 7.904 1.00 0.00 O ATOM 0 H GLY A 20 5.242 0.371 8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.013 -2.435 8.420 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.241 -1.441 9.639 1.00 0.00 H new ATOM 265 N SER A 21 2.929 -1.255 7.985 1.00 0.00 N ATOM 266 CA SER A 21 1.546 -1.555 7.651 1.00 0.00 C ATOM 267 C SER A 21 1.327 -1.950 6.204 1.00 0.00 C ATOM 268 O SER A 21 0.449 -2.767 5.947 1.00 0.00 O ATOM 269 CB SER A 21 0.539 -0.463 8.097 1.00 0.00 C ATOM 270 OG SER A 21 0.803 0.808 7.518 1.00 0.00 O ATOM 0 H SER A 21 3.104 -0.256 8.094 1.00 0.00 H new ATOM 0 HA SER A 21 1.331 -2.442 8.248 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.470 -0.776 7.828 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.566 -0.374 9.183 1.00 0.00 H new ATOM 0 HG SER A 21 1.708 0.815 7.143 1.00 0.00 H new ATOM 276 N CYS A 22 2.130 -1.407 5.234 1.00 0.00 N ATOM 277 CA CYS A 22 1.999 -1.620 3.790 1.00 0.00 C ATOM 278 C CYS A 22 2.353 -3.022 3.383 1.00 0.00 C ATOM 279 O CYS A 22 1.878 -3.515 2.364 1.00 0.00 O ATOM 280 CB CYS A 22 2.700 -0.580 2.897 1.00 0.00 C ATOM 281 SG CYS A 22 1.729 0.967 2.880 1.00 0.00 S ATOM 0 H CYS A 22 2.908 -0.790 5.466 1.00 0.00 H new ATOM 0 HA CYS A 22 0.935 -1.467 3.607 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.706 -0.386 3.269 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.804 -0.967 1.883 1.00 0.00 H new ATOM 286 N LYS A 23 3.141 -3.706 4.245 1.00 0.00 N ATOM 287 CA LYS A 23 3.545 -5.091 4.167 1.00 0.00 C ATOM 288 C LYS A 23 2.313 -5.968 4.296 1.00 0.00 C ATOM 289 O LYS A 23 1.915 -6.674 3.374 1.00 0.00 O ATOM 290 CB LYS A 23 4.583 -5.440 5.270 1.00 0.00 C ATOM 291 CG LYS A 23 5.092 -6.898 5.338 1.00 0.00 C ATOM 292 CD LYS A 23 5.894 -7.186 6.622 1.00 0.00 C ATOM 293 CE LYS A 23 6.376 -8.641 6.757 1.00 0.00 C ATOM 294 NZ LYS A 23 5.268 -9.561 7.013 1.00 0.00 N ATOM 0 H LYS A 23 3.530 -3.250 5.070 1.00 0.00 H new ATOM 0 HA LYS A 23 4.025 -5.268 3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.447 -4.789 5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.143 -5.192 6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.242 -7.579 5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.718 -7.101 4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.760 -6.525 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.276 -6.939 7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.892 -8.939 5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.100 -8.710 7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.622 -10.398 7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.548 -9.085 7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.845 -9.855 6.110 1.00 0.00 H new ATOM 308 N VAL A 24 1.669 -5.866 5.477 1.00 0.00 N ATOM 309 CA VAL A 24 0.505 -6.602 5.943 1.00 0.00 C ATOM 310 C VAL A 24 -0.708 -6.365 5.089 1.00 0.00 C ATOM 311 O VAL A 24 -1.484 -7.277 4.808 1.00 0.00 O ATOM 312 CB VAL A 24 0.170 -6.231 7.422 1.00 0.00 C ATOM 313 CG1 VAL A 24 -1.000 -7.037 8.025 1.00 0.00 C ATOM 314 CG2 VAL A 24 1.409 -6.296 8.338 1.00 0.00 C ATOM 0 H VAL A 24 1.990 -5.203 6.183 1.00 0.00 H new ATOM 0 HA VAL A 24 0.764 -7.658 5.875 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.166 -5.195 7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.169 -6.719 9.054 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.902 -6.863 7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.757 -8.099 8.009 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.124 -6.029 9.356 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.816 -7.307 8.328 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.164 -5.597 7.978 1.00 0.00 H new ATOM 324 N PHE A 25 -0.843 -5.099 4.653 1.00 0.00 N ATOM 325 CA PHE A 25 -1.852 -4.530 3.801 1.00 0.00 C ATOM 326 C PHE A 25 -1.865 -5.241 2.482 1.00 0.00 C ATOM 327 O PHE A 25 -2.890 -5.764 2.068 1.00 0.00 O ATOM 328 CB PHE A 25 -1.512 -3.037 3.586 1.00 0.00 C ATOM 329 CG PHE A 25 -2.388 -2.324 2.596 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.785 -2.243 2.722 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.775 -1.885 1.414 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.556 -1.760 1.657 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.542 -1.427 0.352 1.00 0.00 C ATOM 334 CZ PHE A 25 -3.935 -1.360 0.465 1.00 0.00 C ATOM 0 H PHE A 25 -0.164 -4.390 4.931 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.835 -4.633 4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.579 -2.523 4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.477 -2.960 3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.264 -2.553 3.639 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.698 -1.903 1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.630 -1.696 1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.062 -1.121 -0.566 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.530 -1.002 -0.362 1.00 0.00 H new ATOM 344 N PHE A 26 -0.668 -5.265 1.853 1.00 0.00 N ATOM 345 CA PHE A 26 -0.351 -5.827 0.558 1.00 0.00 C ATOM 346 C PHE A 26 -0.561 -7.320 0.533 1.00 0.00 C ATOM 347 O PHE A 26 -1.132 -7.859 -0.403 1.00 0.00 O ATOM 348 CB PHE A 26 1.076 -5.435 0.106 1.00 0.00 C ATOM 349 CG PHE A 26 1.467 -5.944 -1.266 1.00 0.00 C ATOM 350 CD1 PHE A 26 0.823 -5.494 -2.432 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.506 -6.876 -1.390 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.240 -5.937 -3.695 1.00 0.00 C ATOM 353 CE2 PHE A 26 2.934 -7.306 -2.647 1.00 0.00 C ATOM 354 CZ PHE A 26 2.295 -6.854 -3.805 1.00 0.00 C ATOM 0 H PHE A 26 0.156 -4.853 2.290 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.046 -5.398 -0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.159 -4.348 0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.791 -5.814 0.837 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.001 -4.800 -2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.981 -7.266 -0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.748 -5.572 -4.584 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.764 -7.992 -2.725 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.611 -7.208 -4.775 1.00 0.00 H new ATOM 364 N LYS A 27 -0.141 -8.008 1.608 1.00 0.00 N ATOM 365 CA LYS A 27 -0.218 -9.435 1.824 1.00 0.00 C ATOM 366 C LYS A 27 -1.660 -9.919 1.903 1.00 0.00 C ATOM 367 O LYS A 27 -1.955 -11.047 1.514 1.00 0.00 O ATOM 368 CB LYS A 27 0.674 -9.799 3.031 1.00 0.00 C ATOM 369 CG LYS A 27 0.691 -11.264 3.494 1.00 0.00 C ATOM 370 CD LYS A 27 1.399 -12.226 2.527 1.00 0.00 C ATOM 371 CE LYS A 27 2.408 -13.105 3.271 1.00 0.00 C ATOM 372 NZ LYS A 27 3.070 -14.061 2.390 1.00 0.00 N ATOM 0 H LYS A 27 0.291 -7.531 2.399 1.00 0.00 H new ATOM 0 HA LYS A 27 0.178 -9.979 0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.698 -9.512 2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.362 -9.185 3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.181 -11.320 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.336 -11.600 3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.661 -12.855 2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.910 -11.657 1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.158 -12.471 3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.897 -13.644 4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.245 -14.946 2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.462 -14.254 1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.975 -13.665 2.066 1.00 0.00 H new ATOM 386 N ARG A 28 -2.591 -9.035 2.354 1.00 0.00 N ATOM 387 CA ARG A 28 -4.023 -9.285 2.396 1.00 0.00 C ATOM 388 C ARG A 28 -4.656 -8.886 1.086 1.00 0.00 C ATOM 389 O ARG A 28 -5.524 -9.577 0.565 1.00 0.00 O ATOM 390 CB ARG A 28 -4.729 -8.511 3.538 1.00 0.00 C ATOM 391 CG ARG A 28 -5.006 -9.368 4.784 1.00 0.00 C ATOM 392 CD ARG A 28 -3.739 -9.911 5.477 1.00 0.00 C ATOM 393 NE ARG A 28 -4.109 -10.672 6.728 1.00 0.00 N ATOM 394 CZ ARG A 28 -4.535 -10.050 7.876 1.00 0.00 C ATOM 395 NH1 ARG A 28 -4.231 -8.747 8.145 1.00 0.00 N ATOM 396 NH2 ARG A 28 -5.273 -10.763 8.778 1.00 0.00 N ATOM 0 H ARG A 28 -2.340 -8.110 2.703 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.148 -10.352 2.579 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.112 -7.659 3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.672 -8.111 3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.571 -8.773 5.501 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.638 -10.209 4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.195 -10.563 4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.073 -9.086 5.729 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.040 -11.690 6.720 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.672 -8.207 7.484 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.562 -8.313 9.007 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.499 -11.740 8.593 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.598 -10.318 9.636 1.00 0.00 H new ATOM 410 N ALA A 29 -4.188 -7.753 0.527 1.00 0.00 N ATOM 411 CA ALA A 29 -4.655 -7.072 -0.668 1.00 0.00 C ATOM 412 C ALA A 29 -4.380 -7.807 -1.952 1.00 0.00 C ATOM 413 O ALA A 29 -4.932 -7.466 -2.996 1.00 0.00 O ATOM 414 CB ALA A 29 -4.015 -5.686 -0.798 1.00 0.00 C ATOM 0 H ALA A 29 -3.403 -7.257 0.949 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.735 -7.010 -0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.382 -5.199 -1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.275 -5.082 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.932 -5.790 -0.857 1.00 0.00 H new ATOM 420 N VAL A 30 -3.508 -8.833 -1.878 1.00 0.00 N ATOM 421 CA VAL A 30 -3.075 -9.661 -2.976 1.00 0.00 C ATOM 422 C VAL A 30 -3.820 -10.965 -2.890 1.00 0.00 C ATOM 423 O VAL A 30 -4.652 -11.281 -3.740 1.00 0.00 O ATOM 424 CB VAL A 30 -1.530 -9.887 -2.953 1.00 0.00 C ATOM 425 CG1 VAL A 30 -1.039 -10.978 -3.927 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.740 -8.586 -3.193 1.00 0.00 C ATOM 0 H VAL A 30 -3.075 -9.105 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.295 -9.165 -3.921 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.330 -10.242 -1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.044 -11.074 -3.850 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.506 -11.930 -3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.308 -10.703 -4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.329 -8.799 -3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.004 -8.174 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.985 -7.863 -2.415 1.00 0.00 H new ATOM 436 N GLU A 31 -3.479 -11.754 -1.849 1.00 0.00 N ATOM 437 CA GLU A 31 -3.964 -13.096 -1.613 1.00 0.00 C ATOM 438 C GLU A 31 -4.981 -13.078 -0.509 1.00 0.00 C ATOM 439 O GLU A 31 -4.831 -13.708 0.538 1.00 0.00 O ATOM 440 CB GLU A 31 -2.838 -14.133 -1.387 1.00 0.00 C ATOM 441 CG GLU A 31 -1.777 -13.718 -0.348 1.00 0.00 C ATOM 442 CD GLU A 31 -0.738 -14.825 -0.153 1.00 0.00 C ATOM 443 OE1 GLU A 31 -1.118 -15.911 0.362 1.00 0.00 O ATOM 444 OE2 GLU A 31 0.450 -14.600 -0.511 1.00 0.00 O ATOM 0 H GLU A 31 -2.828 -11.442 -1.128 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.453 -13.438 -2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.288 -15.074 -1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.341 -14.322 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.282 -12.803 -0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.261 -13.497 0.603 1.00 0.00 H new ATOM 451 N GLY A 32 -6.081 -12.352 -0.786 1.00 0.00 N ATOM 452 CA GLY A 32 -7.217 -12.246 0.109 1.00 0.00 C ATOM 453 C GLY A 32 -8.451 -12.029 -0.707 1.00 0.00 C ATOM 454 O GLY A 32 -8.498 -12.384 -1.884 1.00 0.00 O ATOM 0 H GLY A 32 -6.193 -11.822 -1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.313 -13.153 0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.074 -11.419 0.805 1.00 0.00 H new ATOM 458 N GLN A 33 -9.494 -11.429 -0.072 1.00 0.00 N ATOM 459 CA GLN A 33 -10.794 -11.158 -0.662 1.00 0.00 C ATOM 460 C GLN A 33 -10.834 -9.746 -1.167 1.00 0.00 C ATOM 461 O GLN A 33 -11.324 -9.482 -2.264 1.00 0.00 O ATOM 462 CB GLN A 33 -12.005 -11.477 0.265 1.00 0.00 C ATOM 463 CG GLN A 33 -12.217 -10.645 1.560 1.00 0.00 C ATOM 464 CD GLN A 33 -11.119 -10.871 2.613 1.00 0.00 C ATOM 465 OE1 GLN A 33 -10.955 -11.989 3.117 1.00 0.00 O ATOM 466 NE2 GLN A 33 -10.355 -9.783 2.935 1.00 0.00 N ATOM 0 H GLN A 33 -9.430 -11.118 0.897 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.908 -11.849 -1.497 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.910 -11.383 -0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.925 -12.524 0.559 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.252 -9.586 1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -13.184 -10.899 1.993 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.534 -8.884 2.488 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.606 -9.871 3.622 1.00 0.00 H new ATOM 475 N HIS A 34 -10.297 -8.816 -0.340 1.00 0.00 N ATOM 476 CA HIS A 34 -10.139 -7.386 -0.570 1.00 0.00 C ATOM 477 C HIS A 34 -11.415 -6.664 -0.217 1.00 0.00 C ATOM 478 O HIS A 34 -12.506 -7.219 -0.347 1.00 0.00 O ATOM 479 CB HIS A 34 -9.623 -6.981 -1.975 1.00 0.00 C ATOM 480 CG HIS A 34 -8.550 -7.919 -2.485 1.00 0.00 C ATOM 481 ND1 HIS A 34 -8.426 -8.133 -3.848 1.00 0.00 N ATOM 482 CD2 HIS A 34 -7.719 -8.754 -1.798 1.00 0.00 C ATOM 483 CE1 HIS A 34 -7.540 -9.104 -3.955 1.00 0.00 C ATOM 484 NE2 HIS A 34 -7.089 -9.524 -2.747 1.00 0.00 N ATOM 0 H HIS A 34 -9.938 -9.084 0.576 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.334 -7.073 0.095 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -10.457 -6.971 -2.677 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -9.227 -5.966 -1.936 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.912 -7.647 -4.602 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.583 -8.801 -0.728 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.211 -9.517 -4.897 1.00 0.00 H new ATOM 492 N ASN A 35 -11.306 -5.395 0.248 1.00 0.00 N ATOM 493 CA ASN A 35 -12.467 -4.631 0.664 1.00 0.00 C ATOM 494 C ASN A 35 -12.134 -3.163 0.602 1.00 0.00 C ATOM 495 O ASN A 35 -12.413 -2.406 1.531 1.00 0.00 O ATOM 496 CB ASN A 35 -13.044 -5.055 2.058 1.00 0.00 C ATOM 497 CG ASN A 35 -11.973 -5.223 3.163 1.00 0.00 C ATOM 498 OD1 ASN A 35 -11.470 -4.235 3.711 1.00 0.00 O ATOM 499 ND2 ASN A 35 -11.632 -6.509 3.480 1.00 0.00 N ATOM 0 H ASN A 35 -10.421 -4.896 0.337 1.00 0.00 H new ATOM 0 HA ASN A 35 -13.277 -4.851 -0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.769 -4.308 2.381 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.584 -5.995 1.945 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.932 -6.688 4.200 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.078 -7.289 2.997 1.00 0.00 H new ATOM 506 N TYR A 36 -11.541 -2.718 -0.534 1.00 0.00 N ATOM 507 CA TYR A 36 -11.162 -1.348 -0.753 1.00 0.00 C ATOM 508 C TYR A 36 -11.712 -1.036 -2.127 1.00 0.00 C ATOM 509 O TYR A 36 -12.916 -0.813 -2.246 1.00 0.00 O ATOM 510 CB TYR A 36 -9.647 -1.059 -0.534 1.00 0.00 C ATOM 511 CG TYR A 36 -8.873 -2.237 0.022 1.00 0.00 C ATOM 512 CD1 TYR A 36 -8.821 -2.479 1.408 1.00 0.00 C ATOM 513 CD2 TYR A 36 -8.193 -3.113 -0.843 1.00 0.00 C ATOM 514 CE1 TYR A 36 -8.128 -3.585 1.914 1.00 0.00 C ATOM 515 CE2 TYR A 36 -7.492 -4.215 -0.339 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.463 -4.456 1.042 1.00 0.00 C ATOM 517 OH TYR A 36 -6.769 -5.573 1.558 1.00 0.00 O ATOM 0 H TYR A 36 -11.320 -3.330 -1.320 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.580 -0.670 -0.009 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.203 -0.760 -1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.543 -0.214 0.147 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.321 -1.805 2.088 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.212 -2.934 -1.908 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.106 -3.767 2.978 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.973 -4.880 -1.014 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.150 -6.395 1.185 1.00 0.00 H new ATOM 527 N LEU A 37 -10.859 -1.023 -3.191 1.00 0.00 N ATOM 528 CA LEU A 37 -11.173 -0.763 -4.594 1.00 0.00 C ATOM 529 C LEU A 37 -11.487 0.702 -4.852 1.00 0.00 C ATOM 530 O LEU A 37 -12.341 1.291 -4.190 1.00 0.00 O ATOM 531 CB LEU A 37 -12.281 -1.647 -5.238 1.00 0.00 C ATOM 532 CG LEU A 37 -11.982 -3.166 -5.371 1.00 0.00 C ATOM 533 CD1 LEU A 37 -10.741 -3.459 -6.236 1.00 0.00 C ATOM 534 CD2 LEU A 37 -11.939 -3.925 -4.032 1.00 0.00 C ATOM 0 H LEU A 37 -9.865 -1.210 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.246 -1.050 -5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.191 -1.531 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.492 -1.255 -6.233 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.847 -3.563 -5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.583 -4.536 -6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.895 -3.062 -7.239 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.866 -2.987 -5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.725 -4.978 -4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.159 -3.502 -3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.903 -3.834 -3.531 1.00 0.00 H new ATOM 546 N CYS A 38 -10.787 1.321 -5.844 1.00 0.00 N ATOM 547 CA CYS A 38 -10.987 2.693 -6.266 1.00 0.00 C ATOM 548 C CYS A 38 -11.177 2.600 -7.755 1.00 0.00 C ATOM 549 O CYS A 38 -10.572 3.298 -8.567 1.00 0.00 O ATOM 550 CB CYS A 38 -9.843 3.663 -5.860 1.00 0.00 C ATOM 551 SG CYS A 38 -10.464 5.221 -5.132 1.00 0.00 S ATOM 0 H CYS A 38 -10.054 0.847 -6.371 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.847 3.135 -5.763 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.189 3.167 -5.143 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.238 3.892 -6.737 1.00 0.00 H new ATOM 556 N ALA A 39 -12.115 1.703 -8.103 1.00 0.00 N ATOM 557 CA ALA A 39 -12.562 1.356 -9.431 1.00 0.00 C ATOM 558 C ALA A 39 -13.595 2.336 -9.934 1.00 0.00 C ATOM 559 O ALA A 39 -13.917 2.365 -11.121 1.00 0.00 O ATOM 560 CB ALA A 39 -13.193 -0.043 -9.444 1.00 0.00 C ATOM 0 H ALA A 39 -12.611 1.166 -7.391 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.685 1.381 -10.077 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.523 -0.284 -10.455 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.457 -0.777 -9.118 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -14.048 -0.063 -8.769 1.00 0.00 H new ATOM 566 N GLY A 40 -14.120 3.169 -9.006 1.00 0.00 N ATOM 567 CA GLY A 40 -15.133 4.171 -9.238 1.00 0.00 C ATOM 568 C GLY A 40 -14.534 5.443 -9.761 1.00 0.00 C ATOM 569 O GLY A 40 -14.989 5.956 -10.783 1.00 0.00 O ATOM 0 H GLY A 40 -13.819 3.142 -8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.866 3.792 -9.951 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.667 4.373 -8.309 1.00 0.00 H new ATOM 573 N ARG A 41 -13.491 5.979 -9.072 1.00 0.00 N ATOM 574 CA ARG A 41 -12.849 7.218 -9.446 1.00 0.00 C ATOM 575 C ARG A 41 -11.383 6.968 -9.651 1.00 0.00 C ATOM 576 O ARG A 41 -10.942 6.743 -10.777 1.00 0.00 O ATOM 577 CB ARG A 41 -13.067 8.355 -8.417 1.00 0.00 C ATOM 578 CG ARG A 41 -14.501 8.919 -8.356 1.00 0.00 C ATOM 579 CD ARG A 41 -14.897 9.733 -9.606 1.00 0.00 C ATOM 580 NE ARG A 41 -16.243 10.392 -9.411 1.00 0.00 N ATOM 581 CZ ARG A 41 -16.434 11.478 -8.592 1.00 0.00 C ATOM 582 NH1 ARG A 41 -15.405 12.291 -8.217 1.00 0.00 N ATOM 583 NH2 ARG A 41 -17.699 11.761 -8.155 1.00 0.00 N ATOM 0 H ARG A 41 -13.088 5.544 -8.242 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.310 7.560 -10.373 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.797 7.985 -7.428 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.382 9.171 -8.650 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -15.202 8.094 -8.233 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.596 9.553 -7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.141 10.492 -9.806 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.930 9.078 -10.477 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.047 10.013 -9.911 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.459 12.101 -8.546 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.582 13.089 -7.607 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.481 11.170 -8.438 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.861 12.563 -7.546 1.00 0.00 H new ATOM 597 N ASN A 42 -10.612 7.056 -8.540 1.00 0.00 N ATOM 598 CA ASN A 42 -9.171 6.974 -8.404 1.00 0.00 C ATOM 599 C ASN A 42 -8.730 8.424 -8.527 1.00 0.00 C ATOM 600 O ASN A 42 -8.116 8.824 -9.516 1.00 0.00 O ATOM 601 CB ASN A 42 -8.416 5.987 -9.357 1.00 0.00 C ATOM 602 CG ASN A 42 -6.908 5.866 -9.050 1.00 0.00 C ATOM 603 OD1 ASN A 42 -6.539 5.393 -7.967 1.00 0.00 O ATOM 604 ND2 ASN A 42 -6.046 6.299 -10.018 1.00 0.00 N ATOM 0 H ASN A 42 -11.050 7.202 -7.630 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.902 6.513 -7.454 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.874 5.001 -9.282 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.543 6.320 -10.387 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.039 6.241 -9.867 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.410 6.680 -10.892 1.00 0.00 H new ATOM 611 N ASP A 43 -9.074 9.237 -7.496 1.00 0.00 N ATOM 612 CA ASP A 43 -8.741 10.642 -7.391 1.00 0.00 C ATOM 613 C ASP A 43 -7.795 10.852 -6.255 1.00 0.00 C ATOM 614 O ASP A 43 -6.800 11.562 -6.397 1.00 0.00 O ATOM 615 CB ASP A 43 -9.940 11.607 -7.102 1.00 0.00 C ATOM 616 CG ASP A 43 -11.249 10.984 -6.582 1.00 0.00 C ATOM 617 OD1 ASP A 43 -11.225 10.295 -5.530 1.00 0.00 O ATOM 618 OD2 ASP A 43 -12.303 11.233 -7.228 1.00 0.00 O ATOM 0 H ASP A 43 -9.610 8.900 -6.697 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.334 10.882 -8.373 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.608 12.347 -6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.167 12.146 -8.022 1.00 0.00 H new ATOM 623 N CYS A 44 -8.131 10.263 -5.085 1.00 0.00 N ATOM 624 CA CYS A 44 -7.493 10.432 -3.813 1.00 0.00 C ATOM 625 C CYS A 44 -6.011 10.111 -3.800 1.00 0.00 C ATOM 626 O CYS A 44 -5.559 9.135 -4.397 1.00 0.00 O ATOM 627 CB CYS A 44 -8.211 9.618 -2.672 1.00 0.00 C ATOM 628 SG CYS A 44 -9.482 8.387 -3.195 1.00 0.00 S ATOM 0 H CYS A 44 -8.916 9.614 -5.030 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.589 11.500 -3.618 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.447 9.093 -2.098 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.686 10.329 -1.996 1.00 0.00 H new ATOM 633 N ILE A 45 -5.232 10.967 -3.083 1.00 0.00 N ATOM 634 CA ILE A 45 -3.804 10.820 -2.860 1.00 0.00 C ATOM 635 C ILE A 45 -3.752 9.976 -1.624 1.00 0.00 C ATOM 636 O ILE A 45 -4.627 10.075 -0.768 1.00 0.00 O ATOM 637 CB ILE A 45 -3.042 12.168 -2.625 1.00 0.00 C ATOM 638 CG1 ILE A 45 -3.163 13.114 -3.845 1.00 0.00 C ATOM 639 CG2 ILE A 45 -1.564 12.013 -2.169 1.00 0.00 C ATOM 640 CD1 ILE A 45 -2.515 12.599 -5.140 1.00 0.00 C ATOM 0 H ILE A 45 -5.614 11.801 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.312 10.396 -3.735 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.550 12.628 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.220 13.301 -4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.711 14.072 -3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.120 12.999 -2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.529 11.466 -1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.005 11.465 -2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.654 13.333 -5.934 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.449 12.441 -4.975 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.981 11.658 -5.431 1.00 0.00 H new ATOM 652 N ILE A 46 -2.722 9.114 -1.529 1.00 0.00 N ATOM 653 CA ILE A 46 -2.536 8.220 -0.423 1.00 0.00 C ATOM 654 C ILE A 46 -1.227 8.606 0.166 1.00 0.00 C ATOM 655 O ILE A 46 -0.191 8.614 -0.498 1.00 0.00 O ATOM 656 CB ILE A 46 -2.657 6.728 -0.864 1.00 0.00 C ATOM 657 CG1 ILE A 46 -3.987 6.104 -0.396 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.505 5.763 -0.521 1.00 0.00 C ATOM 659 CD1 ILE A 46 -5.234 6.924 -0.704 1.00 0.00 C ATOM 0 H ILE A 46 -1.997 9.036 -2.242 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.314 8.304 0.336 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.606 6.828 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.093 5.124 -0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.935 5.943 0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.741 4.767 -0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.584 6.116 -0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.374 5.723 0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.115 6.399 -0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.160 7.896 -0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.320 7.064 -1.781 1.00 0.00 H new ATOM 671 N ASP A 47 -1.290 8.939 1.469 1.00 0.00 N ATOM 672 CA ASP A 47 -0.141 9.246 2.257 1.00 0.00 C ATOM 673 C ASP A 47 -0.546 8.819 3.645 1.00 0.00 C ATOM 674 O ASP A 47 -1.566 8.158 3.810 1.00 0.00 O ATOM 675 CB ASP A 47 0.469 10.666 2.100 1.00 0.00 C ATOM 676 CG ASP A 47 -0.450 11.819 2.527 1.00 0.00 C ATOM 677 OD1 ASP A 47 -1.438 12.093 1.796 1.00 0.00 O ATOM 678 OD2 ASP A 47 -0.170 12.435 3.590 1.00 0.00 O ATOM 0 H ASP A 47 -2.167 8.996 1.987 1.00 0.00 H new ATOM 0 HA ASP A 47 0.741 8.708 1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.387 10.717 2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.748 10.812 1.056 1.00 0.00 H new ATOM 683 N LYS A 48 0.243 9.193 4.677 1.00 0.00 N ATOM 684 CA LYS A 48 0.092 8.813 6.075 1.00 0.00 C ATOM 685 C LYS A 48 -1.178 9.272 6.770 1.00 0.00 C ATOM 686 O LYS A 48 -1.509 8.784 7.850 1.00 0.00 O ATOM 687 CB LYS A 48 1.312 9.271 6.908 1.00 0.00 C ATOM 688 CG LYS A 48 1.679 10.761 6.743 1.00 0.00 C ATOM 689 CD LYS A 48 2.766 11.257 7.716 1.00 0.00 C ATOM 690 CE LYS A 48 2.937 12.788 7.746 1.00 0.00 C ATOM 691 NZ LYS A 48 3.375 13.321 6.456 1.00 0.00 N ATOM 0 H LYS A 48 1.047 9.805 4.534 1.00 0.00 H new ATOM 0 HA LYS A 48 0.021 7.726 6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.111 9.074 7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.174 8.665 6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.019 10.929 5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.781 11.362 6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.524 10.910 8.721 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.718 10.802 7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.991 13.252 8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.663 13.056 8.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.477 14.354 6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.290 12.899 6.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.670 13.089 5.727 1.00 0.00 H new ATOM 705 N ILE A 49 -1.904 10.223 6.146 1.00 0.00 N ATOM 706 CA ILE A 49 -3.121 10.822 6.647 1.00 0.00 C ATOM 707 C ILE A 49 -4.277 10.324 5.825 1.00 0.00 C ATOM 708 O ILE A 49 -5.306 9.913 6.361 1.00 0.00 O ATOM 709 CB ILE A 49 -3.016 12.382 6.630 1.00 0.00 C ATOM 710 CG1 ILE A 49 -2.020 12.908 7.696 1.00 0.00 C ATOM 711 CG2 ILE A 49 -4.364 13.134 6.695 1.00 0.00 C ATOM 712 CD1 ILE A 49 -2.400 12.608 9.156 1.00 0.00 C ATOM 0 H ILE A 49 -1.630 10.599 5.238 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.282 10.532 7.685 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.619 12.611 5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.039 12.476 7.497 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.923 13.987 7.578 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.182 14.209 6.678 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.978 12.856 5.838 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.885 12.869 7.615 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.640 13.017 9.821 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.364 13.064 9.382 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.466 11.530 9.301 1.00 0.00 H new ATOM 724 N ARG A 50 -4.106 10.372 4.486 1.00 0.00 N ATOM 725 CA ARG A 50 -5.107 10.047 3.483 1.00 0.00 C ATOM 726 C ARG A 50 -5.268 8.560 3.256 1.00 0.00 C ATOM 727 O ARG A 50 -6.108 8.118 2.475 1.00 0.00 O ATOM 728 CB ARG A 50 -4.840 10.756 2.145 1.00 0.00 C ATOM 729 CG ARG A 50 -4.766 12.292 2.267 1.00 0.00 C ATOM 730 CD ARG A 50 -4.537 13.025 0.927 1.00 0.00 C ATOM 731 NE ARG A 50 -5.717 12.868 -0.008 1.00 0.00 N ATOM 732 CZ ARG A 50 -6.914 13.512 0.176 1.00 0.00 C ATOM 733 NH1 ARG A 50 -7.020 14.626 0.959 1.00 0.00 N ATOM 734 NH2 ARG A 50 -8.027 13.033 -0.456 1.00 0.00 N ATOM 0 H ARG A 50 -3.218 10.654 4.070 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.046 10.418 3.894 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.903 10.387 1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.628 10.493 1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.692 12.655 2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.959 12.552 2.953 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.362 14.084 1.117 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.639 12.635 0.448 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.617 12.253 -0.815 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.195 15.001 1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.924 15.083 1.076 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.959 12.209 -1.053 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.925 13.500 -0.330 1.00 0.00 H new ATOM 748 N ARG A 51 -4.500 7.765 4.034 1.00 0.00 N ATOM 749 CA ARG A 51 -4.468 6.315 4.121 1.00 0.00 C ATOM 750 C ARG A 51 -5.753 5.839 4.767 1.00 0.00 C ATOM 751 O ARG A 51 -6.255 4.758 4.464 1.00 0.00 O ATOM 752 CB ARG A 51 -3.199 5.846 4.889 1.00 0.00 C ATOM 753 CG ARG A 51 -3.164 4.443 5.538 1.00 0.00 C ATOM 754 CD ARG A 51 -3.631 4.426 7.004 1.00 0.00 C ATOM 755 NE ARG A 51 -3.473 3.028 7.539 1.00 0.00 N ATOM 756 CZ ARG A 51 -3.610 2.741 8.873 1.00 0.00 C ATOM 757 NH1 ARG A 51 -3.458 3.695 9.838 1.00 0.00 N ATOM 758 NH2 ARG A 51 -3.894 1.457 9.244 1.00 0.00 N ATOM 0 H ARG A 51 -3.824 8.180 4.676 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.405 5.873 3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.360 5.904 4.195 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.010 6.573 5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.794 3.769 4.958 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.147 4.054 5.486 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.044 5.127 7.597 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.672 4.743 7.074 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.258 2.271 6.890 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.236 4.655 9.575 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.567 3.447 10.822 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.000 0.733 8.534 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.000 1.223 10.231 1.00 0.00 H new ATOM 772 N LYS A 52 -6.302 6.684 5.680 1.00 0.00 N ATOM 773 CA LYS A 52 -7.499 6.461 6.447 1.00 0.00 C ATOM 774 C LYS A 52 -8.716 6.982 5.716 1.00 0.00 C ATOM 775 O LYS A 52 -9.841 6.787 6.173 1.00 0.00 O ATOM 776 CB LYS A 52 -7.425 7.133 7.839 1.00 0.00 C ATOM 777 CG LYS A 52 -6.217 6.682 8.688 1.00 0.00 C ATOM 778 CD LYS A 52 -6.139 7.386 10.056 1.00 0.00 C ATOM 779 CE LYS A 52 -4.907 6.973 10.877 1.00 0.00 C ATOM 780 NZ LYS A 52 -4.836 7.711 12.137 1.00 0.00 N ATOM 0 H LYS A 52 -5.874 7.585 5.893 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.585 5.383 6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.381 8.214 7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.342 6.915 8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.273 5.605 8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.299 6.877 8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.121 8.465 9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.040 7.160 10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.946 5.903 11.082 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.003 7.154 10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.994 7.410 12.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.775 8.730 11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.688 7.518 12.701 1.00 0.00 H new ATOM 794 N ASN A 53 -8.508 7.647 4.547 1.00 0.00 N ATOM 795 CA ASN A 53 -9.540 8.199 3.691 1.00 0.00 C ATOM 796 C ASN A 53 -9.888 7.147 2.671 1.00 0.00 C ATOM 797 O ASN A 53 -11.044 7.013 2.271 1.00 0.00 O ATOM 798 CB ASN A 53 -9.151 9.483 2.891 1.00 0.00 C ATOM 799 CG ASN A 53 -8.792 10.676 3.799 1.00 0.00 C ATOM 800 OD1 ASN A 53 -8.729 10.579 5.030 1.00 0.00 O ATOM 801 ND2 ASN A 53 -8.537 11.848 3.141 1.00 0.00 N ATOM 0 H ASN A 53 -7.570 7.808 4.180 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.353 8.486 4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.303 9.258 2.245 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.980 9.765 2.242 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.284 12.684 3.668 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.600 11.886 2.124 1.00 0.00 H new ATOM 808 N CYS A 54 -8.858 6.382 2.228 1.00 0.00 N ATOM 809 CA CYS A 54 -8.982 5.376 1.207 1.00 0.00 C ATOM 810 C CYS A 54 -7.760 4.487 1.375 1.00 0.00 C ATOM 811 O CYS A 54 -6.648 5.000 1.295 1.00 0.00 O ATOM 812 CB CYS A 54 -9.022 6.048 -0.199 1.00 0.00 C ATOM 813 SG CYS A 54 -8.999 4.970 -1.661 1.00 0.00 S ATOM 0 H CYS A 54 -7.910 6.469 2.594 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.901 4.796 1.294 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.922 6.661 -0.250 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.171 6.725 -0.270 1.00 0.00 H new ATOM 818 N PRO A 55 -7.926 3.155 1.547 1.00 0.00 N ATOM 819 CA PRO A 55 -6.825 2.203 1.467 1.00 0.00 C ATOM 820 C PRO A 55 -6.994 1.340 0.221 1.00 0.00 C ATOM 821 O PRO A 55 -6.807 0.129 0.293 1.00 0.00 O ATOM 822 CB PRO A 55 -7.008 1.414 2.756 1.00 0.00 C ATOM 823 CG PRO A 55 -8.535 1.306 2.911 1.00 0.00 C ATOM 824 CD PRO A 55 -9.077 2.588 2.253 1.00 0.00 C ATOM 0 HA PRO A 55 -5.829 2.638 1.382 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.543 0.430 2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.556 1.926 3.605 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.922 0.413 2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.825 1.244 3.960 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.894 2.366 1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.466 3.282 2.998 1.00 0.00 H new ATOM 832 N ALA A 56 -7.351 1.929 -0.952 1.00 0.00 N ATOM 833 CA ALA A 56 -7.613 1.246 -2.197 1.00 0.00 C ATOM 834 C ALA A 56 -6.573 1.692 -3.167 1.00 0.00 C ATOM 835 O ALA A 56 -5.958 0.877 -3.851 1.00 0.00 O ATOM 836 CB ALA A 56 -8.990 1.542 -2.790 1.00 0.00 C ATOM 0 H ALA A 56 -7.462 2.940 -1.033 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.589 0.174 -2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.110 0.992 -3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.763 1.235 -2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.080 2.611 -2.984 1.00 0.00 H new ATOM 842 N CYS A 57 -6.323 3.028 -3.193 1.00 0.00 N ATOM 843 CA CYS A 57 -5.293 3.716 -3.927 1.00 0.00 C ATOM 844 C CYS A 57 -3.915 3.256 -3.545 1.00 0.00 C ATOM 845 O CYS A 57 -3.038 3.175 -4.394 1.00 0.00 O ATOM 846 CB CYS A 57 -5.386 5.238 -3.737 1.00 0.00 C ATOM 847 SG CYS A 57 -6.807 6.015 -4.584 1.00 0.00 S ATOM 0 H CYS A 57 -6.894 3.677 -2.652 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.460 3.472 -4.976 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.449 5.456 -2.671 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.466 5.695 -4.102 1.00 0.00 H new ATOM 852 N ARG A 58 -3.754 2.878 -2.254 1.00 0.00 N ATOM 853 CA ARG A 58 -2.585 2.303 -1.620 1.00 0.00 C ATOM 854 C ARG A 58 -2.156 1.026 -2.291 1.00 0.00 C ATOM 855 O ARG A 58 -0.964 0.742 -2.368 1.00 0.00 O ATOM 856 CB ARG A 58 -2.813 1.905 -0.137 1.00 0.00 C ATOM 857 CG ARG A 58 -2.730 3.063 0.864 1.00 0.00 C ATOM 858 CD ARG A 58 -3.091 2.700 2.318 1.00 0.00 C ATOM 859 NE ARG A 58 -2.101 1.720 2.901 1.00 0.00 N ATOM 860 CZ ARG A 58 -2.339 1.080 4.091 1.00 0.00 C ATOM 861 NH1 ARG A 58 -3.603 0.914 4.580 1.00 0.00 N ATOM 862 NH2 ARG A 58 -1.287 0.573 4.800 1.00 0.00 N ATOM 0 H ARG A 58 -4.518 2.985 -1.587 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.839 3.093 -1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.794 1.438 -0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.075 1.152 0.139 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.717 3.465 0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.394 3.860 0.530 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.112 3.604 2.926 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.092 2.271 2.350 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.234 1.529 2.398 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.403 1.270 4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.747 0.434 5.468 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.337 0.672 4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.452 0.095 5.686 1.00 0.00 H new ATOM 876 N TYR A 59 -3.139 0.223 -2.789 1.00 0.00 N ATOM 877 CA TYR A 59 -2.897 -1.057 -3.420 1.00 0.00 C ATOM 878 C TYR A 59 -2.294 -0.816 -4.780 1.00 0.00 C ATOM 879 O TYR A 59 -1.302 -1.450 -5.131 1.00 0.00 O ATOM 880 CB TYR A 59 -4.179 -1.925 -3.513 1.00 0.00 C ATOM 881 CG TYR A 59 -3.952 -3.316 -4.095 1.00 0.00 C ATOM 882 CD1 TYR A 59 -2.887 -4.142 -3.672 1.00 0.00 C ATOM 883 CD2 TYR A 59 -4.806 -3.797 -5.105 1.00 0.00 C ATOM 884 CE1 TYR A 59 -2.675 -5.398 -4.256 1.00 0.00 C ATOM 885 CE2 TYR A 59 -4.599 -5.052 -5.688 1.00 0.00 C ATOM 886 CZ TYR A 59 -3.528 -5.851 -5.270 1.00 0.00 C ATOM 887 OH TYR A 59 -3.312 -7.114 -5.867 1.00 0.00 O ATOM 0 H TYR A 59 -4.127 0.473 -2.751 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.201 -1.625 -2.803 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.609 -2.026 -2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.914 -1.403 -4.125 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.227 -3.801 -2.888 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.634 -3.188 -5.435 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.854 -6.016 -3.924 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.266 -5.405 -6.461 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.995 -7.273 -6.551 1.00 0.00 H new ATOM 897 N ARG A 60 -2.835 0.172 -5.544 1.00 0.00 N ATOM 898 CA ARG A 60 -2.324 0.502 -6.860 1.00 0.00 C ATOM 899 C ARG A 60 -0.993 1.215 -6.810 1.00 0.00 C ATOM 900 O ARG A 60 -0.168 1.036 -7.702 1.00 0.00 O ATOM 901 CB ARG A 60 -3.316 1.187 -7.830 1.00 0.00 C ATOM 902 CG ARG A 60 -3.529 2.712 -7.687 1.00 0.00 C ATOM 903 CD ARG A 60 -4.236 3.382 -8.888 1.00 0.00 C ATOM 904 NE ARG A 60 -3.544 3.075 -10.200 1.00 0.00 N ATOM 905 CZ ARG A 60 -2.317 3.587 -10.543 1.00 0.00 C ATOM 906 NH1 ARG A 60 -1.829 4.731 -9.981 1.00 0.00 N ATOM 907 NH2 ARG A 60 -1.570 2.932 -11.481 1.00 0.00 N ATOM 0 H ARG A 60 -3.627 0.743 -5.250 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.163 -0.479 -7.308 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.979 0.990 -8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.285 0.701 -7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.115 2.900 -6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.559 3.188 -7.542 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.270 3.041 -8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.263 4.461 -8.737 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.013 2.457 -10.862 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.380 5.232 -9.284 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.913 5.085 -10.258 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.927 2.079 -11.912 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.656 3.296 -11.750 1.00 0.00 H new ATOM 921 N LYS A 61 -0.769 2.022 -5.733 1.00 0.00 N ATOM 922 CA LYS A 61 0.375 2.880 -5.525 1.00 0.00 C ATOM 923 C LYS A 61 1.620 2.100 -5.232 1.00 0.00 C ATOM 924 O LYS A 61 2.676 2.362 -5.804 1.00 0.00 O ATOM 925 CB LYS A 61 0.077 3.983 -4.492 1.00 0.00 C ATOM 926 CG LYS A 61 0.977 5.222 -4.621 1.00 0.00 C ATOM 927 CD LYS A 61 0.431 6.489 -3.927 1.00 0.00 C ATOM 928 CE LYS A 61 -0.906 7.042 -4.463 1.00 0.00 C ATOM 929 NZ LYS A 61 -0.820 7.434 -5.870 1.00 0.00 N ATOM 0 H LYS A 61 -1.433 2.075 -4.961 1.00 0.00 H new ATOM 0 HA LYS A 61 0.575 3.397 -6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.964 4.291 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.189 3.568 -3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.956 4.988 -4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.125 5.439 -5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.310 6.272 -2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.183 7.274 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.683 6.286 -4.345 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.206 7.903 -3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.741 7.799 -6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.098 8.174 -5.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.560 6.608 -6.445 1.00 0.00 H new ATOM 943 N CYS A 62 1.467 1.059 -4.380 1.00 0.00 N ATOM 944 CA CYS A 62 2.487 0.115 -3.981 1.00 0.00 C ATOM 945 C CYS A 62 2.924 -0.753 -5.142 1.00 0.00 C ATOM 946 O CYS A 62 4.110 -1.020 -5.305 1.00 0.00 O ATOM 947 CB CYS A 62 2.116 -0.673 -2.692 1.00 0.00 C ATOM 948 SG CYS A 62 0.905 -2.032 -2.820 1.00 0.00 S ATOM 0 H CYS A 62 0.569 0.862 -3.938 1.00 0.00 H new ATOM 0 HA CYS A 62 3.368 0.689 -3.693 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.036 -1.087 -2.280 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.735 0.043 -1.964 1.00 0.00 H new ATOM 0 HG CYS A 62 0.055 -1.768 -3.767 1.00 0.00 H new ATOM 954 N LEU A 63 1.952 -1.137 -6.019 1.00 0.00 N ATOM 955 CA LEU A 63 2.142 -1.925 -7.224 1.00 0.00 C ATOM 956 C LEU A 63 2.919 -1.127 -8.248 1.00 0.00 C ATOM 957 O LEU A 63 3.762 -1.674 -8.958 1.00 0.00 O ATOM 958 CB LEU A 63 0.816 -2.416 -7.851 1.00 0.00 C ATOM 959 CG LEU A 63 0.157 -3.609 -7.117 1.00 0.00 C ATOM 960 CD1 LEU A 63 -1.290 -3.821 -7.600 1.00 0.00 C ATOM 961 CD2 LEU A 63 0.986 -4.902 -7.255 1.00 0.00 C ATOM 0 H LEU A 63 0.975 -0.881 -5.877 1.00 0.00 H new ATOM 0 HA LEU A 63 2.701 -2.812 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.110 -1.585 -7.872 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.003 -2.702 -8.886 1.00 0.00 H new ATOM 0 HG LEU A 63 0.128 -3.361 -6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.731 -4.665 -7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.875 -2.923 -7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.290 -4.026 -8.671 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.486 -5.713 -6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.081 -5.162 -8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.977 -4.746 -6.829 1.00 0.00 H new ATOM 973 N GLN A 64 2.670 0.215 -8.279 1.00 0.00 N ATOM 974 CA GLN A 64 3.290 1.210 -9.135 1.00 0.00 C ATOM 975 C GLN A 64 4.751 1.358 -8.791 1.00 0.00 C ATOM 976 O GLN A 64 5.603 1.526 -9.662 1.00 0.00 O ATOM 977 CB GLN A 64 2.570 2.587 -9.075 1.00 0.00 C ATOM 978 CG GLN A 64 2.091 3.139 -10.438 1.00 0.00 C ATOM 979 CD GLN A 64 3.264 3.611 -11.312 1.00 0.00 C ATOM 980 OE1 GLN A 64 3.719 2.877 -12.197 1.00 0.00 O ATOM 981 NE2 GLN A 64 3.750 4.861 -11.047 1.00 0.00 N ATOM 0 H GLN A 64 1.980 0.634 -7.655 1.00 0.00 H new ATOM 0 HA GLN A 64 3.196 0.853 -10.161 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.708 2.500 -8.413 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.246 3.313 -8.624 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.533 2.366 -10.966 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.405 3.970 -10.272 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.335 5.423 -10.304 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.528 5.232 -11.593 1.00 0.00 H new ATOM 990 N ALA A 65 5.036 1.230 -7.468 1.00 0.00 N ATOM 991 CA ALA A 65 6.334 1.318 -6.827 1.00 0.00 C ATOM 992 C ALA A 65 7.219 0.163 -7.224 1.00 0.00 C ATOM 993 O ALA A 65 8.430 0.313 -7.381 1.00 0.00 O ATOM 994 CB ALA A 65 6.249 1.454 -5.298 1.00 0.00 C ATOM 0 H ALA A 65 4.296 1.050 -6.790 1.00 0.00 H new ATOM 0 HA ALA A 65 6.788 2.240 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.255 1.515 -4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.695 2.358 -5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.737 0.586 -4.883 1.00 0.00 H new ATOM 1000 N GLY A 66 6.579 -1.015 -7.400 1.00 0.00 N ATOM 1001 CA GLY A 66 7.188 -2.234 -7.880 1.00 0.00 C ATOM 1002 C GLY A 66 7.027 -3.354 -6.903 1.00 0.00 C ATOM 1003 O GLY A 66 7.825 -4.291 -6.929 1.00 0.00 O ATOM 0 H GLY A 66 5.585 -1.126 -7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.739 -2.515 -8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.248 -2.063 -8.066 1.00 0.00 H new ATOM 1007 N MET A 67 5.973 -3.312 -6.029 1.00 0.00 N ATOM 1008 CA MET A 67 5.718 -4.314 -4.989 1.00 0.00 C ATOM 1009 C MET A 67 5.369 -5.632 -5.621 1.00 0.00 C ATOM 1010 O MET A 67 4.719 -5.671 -6.667 1.00 0.00 O ATOM 1011 CB MET A 67 4.607 -3.962 -3.978 1.00 0.00 C ATOM 1012 CG MET A 67 5.025 -2.976 -2.869 1.00 0.00 C ATOM 1013 SD MET A 67 6.112 -3.717 -1.601 1.00 0.00 S ATOM 1014 CE MET A 67 4.908 -4.520 -0.504 1.00 0.00 C ATOM 0 H MET A 67 5.279 -2.565 -6.043 1.00 0.00 H new ATOM 0 HA MET A 67 6.648 -4.355 -4.422 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.763 -3.538 -4.522 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.256 -4.882 -3.512 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.537 -2.128 -3.323 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.130 -2.586 -2.385 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.327 -4.601 0.499 1.00 0.00 H new ATOM 0 HE2 MET A 67 3.995 -3.926 -0.469 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.678 -5.516 -0.883 1.00 0.00 H new ATOM 1024 N ASN A 68 5.823 -6.744 -4.997 1.00 0.00 N ATOM 1025 CA ASN A 68 5.631 -8.046 -5.576 1.00 0.00 C ATOM 1026 C ASN A 68 5.902 -8.978 -4.450 1.00 0.00 C ATOM 1027 O ASN A 68 6.971 -8.942 -3.854 1.00 0.00 O ATOM 1028 CB ASN A 68 6.607 -8.299 -6.765 1.00 0.00 C ATOM 1029 CG ASN A 68 6.458 -9.640 -7.517 1.00 0.00 C ATOM 1030 OD1 ASN A 68 7.454 -10.196 -7.994 1.00 0.00 O ATOM 1031 ND2 ASN A 68 5.193 -10.147 -7.617 1.00 0.00 N ATOM 0 H ASN A 68 6.316 -6.742 -4.104 1.00 0.00 H new ATOM 0 HA ASN A 68 4.633 -8.169 -5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.482 -7.490 -7.485 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.627 -8.234 -6.387 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.034 -11.028 -8.105 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.408 -9.644 -7.203 1.00 0.00 H new ATOM 1038 N LEU A 69 4.924 -9.862 -4.157 1.00 0.00 N ATOM 1039 CA LEU A 69 4.940 -10.801 -3.057 1.00 0.00 C ATOM 1040 C LEU A 69 5.334 -12.161 -3.612 1.00 0.00 C ATOM 1041 O LEU A 69 4.823 -13.212 -3.236 1.00 0.00 O ATOM 1042 CB LEU A 69 3.600 -10.647 -2.285 1.00 0.00 C ATOM 1043 CG LEU A 69 2.961 -11.812 -1.499 1.00 0.00 C ATOM 1044 CD1 LEU A 69 3.873 -12.399 -0.412 1.00 0.00 C ATOM 1045 CD2 LEU A 69 1.625 -11.337 -0.902 1.00 0.00 C ATOM 0 H LEU A 69 4.073 -9.929 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 69 5.691 -10.622 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.740 -9.831 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.857 -10.315 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 69 2.794 -12.628 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.356 -13.212 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.786 -12.780 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.126 -11.622 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.165 -12.153 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.804 -10.496 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.958 -11.025 -1.706 1.00 0.00 H new ATOM 1057 N GLU A 70 6.327 -12.121 -4.530 1.00 0.00 N ATOM 1058 CA GLU A 70 6.997 -13.211 -5.190 1.00 0.00 C ATOM 1059 C GLU A 70 8.284 -12.576 -5.651 1.00 0.00 C ATOM 1060 O GLU A 70 8.776 -12.829 -6.751 1.00 0.00 O ATOM 1061 CB GLU A 70 6.260 -13.811 -6.420 1.00 0.00 C ATOM 1062 CG GLU A 70 4.880 -14.472 -6.182 1.00 0.00 C ATOM 1063 CD GLU A 70 5.002 -15.838 -5.494 1.00 0.00 C ATOM 1064 OE1 GLU A 70 5.456 -15.886 -4.321 1.00 0.00 O ATOM 1065 OE2 GLU A 70 4.634 -16.857 -6.141 1.00 0.00 O ATOM 0 H GLU A 70 6.699 -11.224 -4.842 1.00 0.00 H new ATOM 0 HA GLU A 70 7.088 -14.057 -4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.128 -13.015 -7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.915 -14.556 -6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.264 -13.813 -5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.367 -14.592 -7.136 1.00 0.00 H new ATOM 1072 N ALA A 71 8.851 -11.715 -4.775 1.00 0.00 N ATOM 1073 CA ALA A 71 10.024 -10.912 -5.025 1.00 0.00 C ATOM 1074 C ALA A 71 11.106 -11.262 -4.042 1.00 0.00 C ATOM 1075 O ALA A 71 10.979 -12.202 -3.257 1.00 0.00 O ATOM 1076 CB ALA A 71 9.674 -9.422 -4.905 1.00 0.00 C ATOM 0 H ALA A 71 8.471 -11.570 -3.840 1.00 0.00 H new ATOM 0 HA ALA A 71 10.382 -11.114 -6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.564 -8.823 -5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.904 -9.169 -5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.305 -9.215 -3.901 1.00 0.00 H new ATOM 1082 N ARG A 72 12.212 -10.477 -4.088 1.00 0.00 N ATOM 1083 CA ARG A 72 13.396 -10.610 -3.270 1.00 0.00 C ATOM 1084 C ARG A 72 13.258 -9.625 -2.089 1.00 0.00 C ATOM 1085 O ARG A 72 13.242 -10.103 -0.924 1.00 0.00 O ATOM 1086 CB ARG A 72 14.660 -10.292 -4.107 1.00 0.00 C ATOM 1087 CG ARG A 72 16.016 -10.491 -3.401 1.00 0.00 C ATOM 1088 CD ARG A 72 17.199 -10.082 -4.296 1.00 0.00 C ATOM 1089 NE ARG A 72 18.487 -10.299 -3.544 1.00 0.00 N ATOM 1090 CZ ARG A 72 19.686 -9.820 -4.008 1.00 0.00 C ATOM 1091 NH1 ARG A 72 19.757 -8.750 -4.854 1.00 0.00 N ATOM 1092 NH2 ARG A 72 20.842 -10.422 -3.598 1.00 0.00 N ATOM 1093 OXT ARG A 72 13.167 -8.394 -2.343 1.00 0.00 O ATOM 0 H ARG A 72 12.283 -9.697 -4.741 1.00 0.00 H new ATOM 0 HA ARG A 72 13.497 -11.629 -2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.645 -10.917 -5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.597 -9.256 -4.441 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.036 -9.904 -2.483 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.124 -11.537 -3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 72 17.196 -10.670 -5.214 1.00 0.00 H new ATOM 0 HD3 ARG A 72 17.106 -9.036 -4.587 1.00 0.00 H new ATOM 0 HE ARG A 72 18.467 -10.817 -2.665 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.903 -8.283 -5.158 1.00 0.00 H new ATOM 0 HH12 ARG A 72 20.664 -8.418 -5.181 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.805 -11.214 -2.957 1.00 0.00 H new ATOM 0 HH22 ARG A 72 21.742 -10.079 -3.933 1.00 0.00 H new TER 1107 ARG A 72 HETATM 1108 ZN ZN A 73 2.956 2.617 3.942 1.00 0.00 ZN HETATM 1109 ZN ZN A 74 -8.926 6.154 -3.646 1.00 0.00 ZN