USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 514 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 42 ASN : amide:sc= 0 X(o=1.3,f=1.1) USER MOD Set 1.2: A 44 CYS SG : rot 128:sc= 0.805 USER MOD Set 1.3: A 54 CYS SG : rot -145:sc= -0.0395 USER MOD Set 1.4: A 57 CYS SG : rot 136:sc= 0.5 USER MOD Set 2.1: A 2 CYS SG : rot 144:sc= 1.16 USER MOD Set 2.2: A 5 CYS SG : rot -32:sc= 0.57 USER MOD Set 2.3: A 19 CYS SG : rot -123:sc= 0.482 USER MOD Set 2.4: A 22 CYS SG : rot 144:sc= 0.217 USER MOD Single : A 1 LEU N :NH3+ -136:sc= 0 (180deg=-0.532) 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= 0.0563 USER MOD Single : A 13 HIS :FLIP no HD1:sc= -0.593 F(o=-1.2,f=-0.59) USER MOD Single : A 14 TYR OH : rot 175:sc= -0.036 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -140:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.4! C(o=-1.4!,f=-1.5!) USER MOD Single : A 34 HIS : no HE2:sc= -1.54 K(o=-1.5,f=-2.6!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 96:sc= 0.404 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 K(o=0,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 -62:sc= 0.441 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 67 MET CE :methyl -172:sc= -0.33 (180deg=-0.393) USER MOD Single : A 68 ASN :FLIP amide:sc= 0.0753 F(o=-2.5!,f=0.075) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.576 5.903 4.255 1.00 0.00 N ATOM 2 CA LEU A 1 10.216 6.311 3.899 1.00 0.00 C ATOM 3 C LEU A 1 9.534 5.246 3.094 1.00 0.00 C ATOM 4 O LEU A 1 10.088 4.722 2.130 1.00 0.00 O ATOM 5 CB LEU A 1 10.222 7.609 3.046 1.00 0.00 C ATOM 6 CG LEU A 1 10.562 8.911 3.812 1.00 0.00 C ATOM 7 CD1 LEU A 1 10.911 10.049 2.836 1.00 0.00 C ATOM 8 CD2 LEU A 1 9.434 9.332 4.773 1.00 0.00 C ATOM 0 H1 LEU A 1 11.758 6.134 5.253 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.679 4.878 4.112 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.258 6.407 3.653 1.00 0.00 H new ATOM 0 HA LEU A 1 9.685 6.481 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.941 7.487 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.241 7.725 2.586 1.00 0.00 H new ATOM 0 HG LEU A 1 11.440 8.703 4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 1 11.146 10.952 3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 1 11.774 9.761 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.061 10.240 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 1 9.718 10.250 5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 1 8.518 9.502 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 1 9.267 8.542 5.506 1.00 0.00 H new ATOM 22 N CYS A 2 8.241 4.977 3.453 1.00 0.00 N ATOM 23 CA CYS A 2 7.258 4.091 2.864 1.00 0.00 C ATOM 24 C CYS A 2 7.015 4.725 1.531 1.00 0.00 C ATOM 25 O CYS A 2 6.916 5.944 1.461 1.00 0.00 O ATOM 26 CB CYS A 2 5.969 3.958 3.735 1.00 0.00 C ATOM 27 SG CYS A 2 4.691 2.885 2.994 1.00 0.00 S ATOM 0 H CYS A 2 7.843 5.449 4.265 1.00 0.00 H new ATOM 0 HA CYS A 2 7.595 3.057 2.784 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.241 3.562 4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.548 4.950 3.899 1.00 0.00 H new ATOM 0 HG CYS A 2 4.078 2.228 3.933 1.00 0.00 H new ATOM 32 N LEU A 3 6.945 3.929 0.445 1.00 0.00 N ATOM 33 CA LEU A 3 6.825 4.489 -0.875 1.00 0.00 C ATOM 34 C LEU A 3 5.452 4.270 -1.429 1.00 0.00 C ATOM 35 O LEU A 3 5.215 4.340 -2.636 1.00 0.00 O ATOM 36 CB LEU A 3 7.849 3.856 -1.818 1.00 0.00 C ATOM 37 CG LEU A 3 9.307 4.231 -1.467 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.321 3.327 -2.189 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.617 5.719 -1.719 1.00 0.00 C ATOM 0 H LEU A 3 6.971 2.910 0.476 1.00 0.00 H new ATOM 0 HA LEU A 3 7.010 5.560 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.741 2.772 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.635 4.169 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 3 9.410 4.062 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.333 3.624 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.156 2.290 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.193 3.426 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.654 5.924 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.458 5.950 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.958 6.336 -1.108 1.00 0.00 H new ATOM 51 N VAL A 4 4.517 4.009 -0.507 1.00 0.00 N ATOM 52 CA VAL A 4 3.135 3.727 -0.784 1.00 0.00 C ATOM 53 C VAL A 4 2.274 4.755 -0.137 1.00 0.00 C ATOM 54 O VAL A 4 1.501 5.425 -0.817 1.00 0.00 O ATOM 55 CB VAL A 4 2.701 2.320 -0.294 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.270 1.921 -0.688 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.747 1.257 -0.654 1.00 0.00 C ATOM 0 H VAL A 4 4.730 3.992 0.490 1.00 0.00 H new ATOM 0 HA VAL A 4 3.016 3.750 -1.867 1.00 0.00 H new ATOM 0 HB VAL A 4 2.660 2.382 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.052 0.924 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.564 2.635 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.179 1.920 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.413 0.283 -0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.874 1.223 -1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.698 1.509 -0.185 1.00 0.00 H new ATOM 67 N CYS A 5 2.362 4.843 1.209 1.00 0.00 N ATOM 68 CA CYS A 5 1.554 5.746 1.995 1.00 0.00 C ATOM 69 C CYS A 5 2.447 6.818 2.536 1.00 0.00 C ATOM 70 O CYS A 5 2.065 7.519 3.466 1.00 0.00 O ATOM 71 CB CYS A 5 0.674 5.083 3.103 1.00 0.00 C ATOM 72 SG CYS A 5 1.501 4.268 4.526 1.00 0.00 S ATOM 0 H CYS A 5 3.005 4.278 1.765 1.00 0.00 H new ATOM 0 HA CYS A 5 0.802 6.168 1.328 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.013 5.852 3.503 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.041 4.339 2.619 1.00 0.00 H new ATOM 0 HG CYS A 5 2.633 3.761 4.138 1.00 0.00 H new ATOM 77 N SER A 6 3.654 6.968 1.931 1.00 0.00 N ATOM 78 CA SER A 6 4.618 8.055 2.127 1.00 0.00 C ATOM 79 C SER A 6 4.827 8.526 3.549 1.00 0.00 C ATOM 80 O SER A 6 4.795 9.715 3.858 1.00 0.00 O ATOM 81 CB SER A 6 4.378 9.220 1.148 1.00 0.00 C ATOM 82 OG SER A 6 3.856 8.774 -0.099 1.00 0.00 O ATOM 0 H SER A 6 3.990 6.284 1.253 1.00 0.00 H new ATOM 0 HA SER A 6 5.575 7.593 1.885 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.685 9.932 1.596 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.315 9.750 0.979 1.00 0.00 H new ATOM 0 HG SER A 6 3.717 9.544 -0.689 1.00 0.00 H new ATOM 88 N ASP A 7 5.025 7.528 4.432 1.00 0.00 N ATOM 89 CA ASP A 7 5.097 7.657 5.873 1.00 0.00 C ATOM 90 C ASP A 7 6.468 7.154 6.227 1.00 0.00 C ATOM 91 O ASP A 7 7.085 6.499 5.402 1.00 0.00 O ATOM 92 CB ASP A 7 3.981 6.738 6.463 1.00 0.00 C ATOM 93 CG ASP A 7 3.767 6.760 7.988 1.00 0.00 C ATOM 94 OD1 ASP A 7 3.972 7.831 8.615 1.00 0.00 O ATOM 95 OD2 ASP A 7 3.372 5.693 8.532 1.00 0.00 O ATOM 0 H ASP A 7 5.144 6.562 4.126 1.00 0.00 H new ATOM 0 HA ASP A 7 4.949 8.668 6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.038 7.009 5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.202 5.712 6.170 1.00 0.00 H new ATOM 100 N GLU A 8 6.982 7.401 7.464 1.00 0.00 N ATOM 101 CA GLU A 8 8.284 6.921 7.923 1.00 0.00 C ATOM 102 C GLU A 8 8.323 5.408 7.990 1.00 0.00 C ATOM 103 O GLU A 8 7.622 4.796 8.795 1.00 0.00 O ATOM 104 CB GLU A 8 8.860 7.571 9.213 1.00 0.00 C ATOM 105 CG GLU A 8 8.386 9.012 9.533 1.00 0.00 C ATOM 106 CD GLU A 8 7.010 9.084 10.207 1.00 0.00 C ATOM 107 OE1 GLU A 8 6.848 8.484 11.304 1.00 0.00 O ATOM 108 OE2 GLU A 8 6.109 9.753 9.635 1.00 0.00 O ATOM 0 H GLU A 8 6.485 7.948 8.167 1.00 0.00 H new ATOM 0 HA GLU A 8 8.968 7.270 7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.606 6.933 10.059 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.947 7.579 9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.121 9.489 10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.356 9.587 8.607 1.00 0.00 H new ATOM 115 N ALA A 9 9.148 4.787 7.103 1.00 0.00 N ATOM 116 CA ALA A 9 9.257 3.353 6.940 1.00 0.00 C ATOM 117 C ALA A 9 10.166 2.726 7.957 1.00 0.00 C ATOM 118 O ALA A 9 11.004 3.383 8.575 1.00 0.00 O ATOM 119 CB ALA A 9 9.766 2.950 5.538 1.00 0.00 C ATOM 0 H ALA A 9 9.763 5.305 6.475 1.00 0.00 H new ATOM 0 HA ALA A 9 8.241 2.984 7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.828 1.864 5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.076 3.321 4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.753 3.381 5.372 1.00 0.00 H new ATOM 125 N SER A 10 9.989 1.389 8.110 1.00 0.00 N ATOM 126 CA SER A 10 10.736 0.519 8.986 1.00 0.00 C ATOM 127 C SER A 10 11.856 -0.073 8.170 1.00 0.00 C ATOM 128 O SER A 10 12.985 -0.200 8.643 1.00 0.00 O ATOM 129 CB SER A 10 9.870 -0.625 9.555 1.00 0.00 C ATOM 130 OG SER A 10 8.774 -0.100 10.290 1.00 0.00 O ATOM 0 H SER A 10 9.275 0.884 7.585 1.00 0.00 H new ATOM 0 HA SER A 10 11.101 1.097 9.835 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.504 -1.251 8.741 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.476 -1.262 10.199 1.00 0.00 H new ATOM 0 HG SER A 10 8.234 -0.837 10.643 1.00 0.00 H new ATOM 136 N GLY A 11 11.538 -0.442 6.906 1.00 0.00 N ATOM 137 CA GLY A 11 12.475 -1.008 5.972 1.00 0.00 C ATOM 138 C GLY A 11 11.663 -1.732 4.950 1.00 0.00 C ATOM 139 O GLY A 11 10.451 -1.889 5.099 1.00 0.00 O ATOM 0 H GLY A 11 10.598 -0.343 6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.080 -0.229 5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.163 -1.688 6.475 1.00 0.00 H new ATOM 143 N CYS A 12 12.336 -2.229 3.876 1.00 0.00 N ATOM 144 CA CYS A 12 11.735 -2.982 2.785 1.00 0.00 C ATOM 145 C CYS A 12 11.426 -4.371 3.288 1.00 0.00 C ATOM 146 O CYS A 12 12.079 -4.833 4.225 1.00 0.00 O ATOM 147 CB CYS A 12 12.626 -3.039 1.509 1.00 0.00 C ATOM 148 SG CYS A 12 14.362 -3.552 1.804 1.00 0.00 S ATOM 0 H CYS A 12 13.341 -2.102 3.760 1.00 0.00 H new ATOM 0 HA CYS A 12 10.824 -2.469 2.477 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.174 -3.730 0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.628 -2.055 1.040 1.00 0.00 H new ATOM 0 HG CYS A 12 15.008 -3.566 0.676 1.00 0.00 H new ATOM 154 N HIS A 13 10.414 -5.060 2.699 1.00 0.00 N ATOM 155 CA HIS A 13 10.047 -6.367 3.218 1.00 0.00 C ATOM 156 C HIS A 13 9.750 -7.298 2.093 1.00 0.00 C ATOM 157 O HIS A 13 9.975 -8.503 2.213 1.00 0.00 O ATOM 158 CB HIS A 13 8.865 -6.334 4.208 1.00 0.00 C ATOM 159 CG HIS A 13 8.857 -7.552 5.100 1.00 0.00 C ATOM 160 ND1 HIS A 13 8.365 -8.797 4.856 1.00 0.00 N flip ATOM 161 CD2 HIS A 13 9.552 -7.534 6.298 1.00 0.00 C flip ATOM 162 CE1 HIS A 13 8.756 -9.574 5.923 1.00 0.00 C flip ATOM 163 NE2 HIS A 13 9.459 -8.767 6.756 1.00 0.00 N flip ATOM 0 H HIS A 13 9.869 -4.735 1.900 1.00 0.00 H new ATOM 0 HA HIS A 13 10.907 -6.724 3.785 1.00 0.00 H new ATOM 0 HB2 HIS A 13 8.926 -5.434 4.820 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.927 -6.280 3.655 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.058 -6.696 6.755 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.544 -10.623 6.069 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.869 -9.078 7.636 1.00 0.00 H new ATOM 171 N TYR A 14 9.235 -6.756 0.967 1.00 0.00 N ATOM 172 CA TYR A 14 8.945 -7.511 -0.214 1.00 0.00 C ATOM 173 C TYR A 14 9.945 -6.993 -1.199 1.00 0.00 C ATOM 174 O TYR A 14 11.116 -7.362 -1.108 1.00 0.00 O ATOM 175 CB TYR A 14 7.459 -7.512 -0.656 1.00 0.00 C ATOM 176 CG TYR A 14 6.562 -8.288 0.332 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.941 -9.555 0.834 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.307 -7.804 0.757 1.00 0.00 C ATOM 179 CE1 TYR A 14 6.221 -10.209 1.836 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.565 -8.465 1.740 1.00 0.00 C ATOM 181 CZ TYR A 14 5.051 -9.634 2.327 1.00 0.00 C ATOM 182 OH TYR A 14 4.364 -10.240 3.399 1.00 0.00 O ATOM 0 H TYR A 14 9.015 -5.764 0.879 1.00 0.00 H new ATOM 0 HA TYR A 14 9.053 -8.586 -0.068 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.104 -6.485 -0.737 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.376 -7.957 -1.647 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.819 -10.034 0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.911 -6.903 0.313 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.569 -11.154 2.227 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.609 -8.068 2.047 1.00 0.00 H new ATOM 0 HH TYR A 14 3.615 -9.670 3.671 1.00 0.00 H new ATOM 192 N GLY A 15 9.532 -6.130 -2.146 1.00 0.00 N ATOM 193 CA GLY A 15 10.418 -5.617 -3.172 1.00 0.00 C ATOM 194 C GLY A 15 10.597 -4.136 -3.082 1.00 0.00 C ATOM 195 O GLY A 15 11.350 -3.576 -3.879 1.00 0.00 O ATOM 0 H GLY A 15 8.577 -5.779 -2.209 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.390 -6.104 -3.086 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.019 -5.873 -4.154 1.00 0.00 H new ATOM 199 N VAL A 16 9.934 -3.456 -2.109 1.00 0.00 N ATOM 200 CA VAL A 16 9.956 -2.004 -2.045 1.00 0.00 C ATOM 201 C VAL A 16 10.087 -1.638 -0.601 1.00 0.00 C ATOM 202 O VAL A 16 9.646 -2.363 0.290 1.00 0.00 O ATOM 203 CB VAL A 16 8.687 -1.347 -2.664 1.00 0.00 C ATOM 204 CG1 VAL A 16 8.579 0.184 -2.644 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.446 -1.792 -4.117 1.00 0.00 C ATOM 0 H VAL A 16 9.387 -3.903 -1.373 1.00 0.00 H new ATOM 0 HA VAL A 16 10.792 -1.630 -2.635 1.00 0.00 H new ATOM 0 HB VAL A 16 7.928 -1.717 -1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.642 0.489 -3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.603 0.537 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.415 0.615 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.550 -1.306 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.303 -1.512 -4.730 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.315 -2.874 -4.149 1.00 0.00 H new ATOM 215 N LEU A 17 10.630 -0.414 -0.395 1.00 0.00 N ATOM 216 CA LEU A 17 10.866 0.279 0.860 1.00 0.00 C ATOM 217 C LEU A 17 9.508 0.739 1.329 1.00 0.00 C ATOM 218 O LEU A 17 8.959 1.696 0.787 1.00 0.00 O ATOM 219 CB LEU A 17 11.859 1.459 0.711 1.00 0.00 C ATOM 220 CG LEU A 17 12.229 2.232 2.004 1.00 0.00 C ATOM 221 CD1 LEU A 17 12.906 1.345 3.062 1.00 0.00 C ATOM 222 CD2 LEU A 17 13.084 3.474 1.686 1.00 0.00 C ATOM 0 H LEU A 17 10.936 0.151 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 17 11.338 -0.381 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.779 1.075 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.438 2.169 -0.000 1.00 0.00 H new ATOM 0 HG LEU A 17 11.288 2.567 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.140 1.943 3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.233 0.535 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.826 0.927 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.327 3.995 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.005 3.165 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.526 4.142 1.030 1.00 0.00 H new ATOM 234 N THR A 18 8.939 0.036 2.328 1.00 0.00 N ATOM 235 CA THR A 18 7.600 0.268 2.816 1.00 0.00 C ATOM 236 C THR A 18 7.664 0.455 4.279 1.00 0.00 C ATOM 237 O THR A 18 8.714 0.305 4.894 1.00 0.00 O ATOM 238 CB THR A 18 6.689 -0.981 2.584 1.00 0.00 C ATOM 239 OG1 THR A 18 7.389 -2.205 2.806 1.00 0.00 O ATOM 240 CG2 THR A 18 6.080 -1.001 1.192 1.00 0.00 C ATOM 0 H THR A 18 9.421 -0.719 2.816 1.00 0.00 H new ATOM 0 HA THR A 18 7.197 1.134 2.291 1.00 0.00 H new ATOM 0 HB THR A 18 5.885 -0.895 3.316 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.784 -2.960 2.652 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.456 -1.888 1.081 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.471 -0.108 1.048 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.875 -1.021 0.447 1.00 0.00 H new ATOM 248 N CYS A 19 6.477 0.743 4.874 1.00 0.00 N ATOM 249 CA CYS A 19 6.334 0.910 6.304 1.00 0.00 C ATOM 250 C CYS A 19 6.218 -0.476 6.923 1.00 0.00 C ATOM 251 O CYS A 19 6.593 -1.478 6.313 1.00 0.00 O ATOM 252 CB CYS A 19 5.253 1.921 6.804 1.00 0.00 C ATOM 253 SG CYS A 19 3.506 1.629 6.357 1.00 0.00 S ATOM 0 H CYS A 19 5.606 0.861 4.357 1.00 0.00 H new ATOM 0 HA CYS A 19 7.232 1.418 6.655 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.314 1.959 7.892 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.528 2.909 6.434 1.00 0.00 H new ATOM 0 HG CYS A 19 3.042 2.664 5.722 1.00 0.00 H new ATOM 258 N GLY A 20 5.682 -0.565 8.158 1.00 0.00 N ATOM 259 CA GLY A 20 5.493 -1.820 8.855 1.00 0.00 C ATOM 260 C GLY A 20 4.201 -2.435 8.399 1.00 0.00 C ATOM 261 O GLY A 20 4.135 -3.621 8.080 1.00 0.00 O ATOM 0 H GLY A 20 5.371 0.248 8.690 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.325 -2.494 8.651 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.473 -1.655 9.932 1.00 0.00 H new ATOM 265 N SER A 21 3.157 -1.577 8.311 1.00 0.00 N ATOM 266 CA SER A 21 1.794 -1.931 7.978 1.00 0.00 C ATOM 267 C SER A 21 1.553 -2.268 6.523 1.00 0.00 C ATOM 268 O SER A 21 0.679 -3.089 6.259 1.00 0.00 O ATOM 269 CB SER A 21 0.801 -0.834 8.400 1.00 0.00 C ATOM 270 OG SER A 21 0.898 -0.589 9.797 1.00 0.00 O ATOM 0 H SER A 21 3.268 -0.578 8.482 1.00 0.00 H new ATOM 0 HA SER A 21 1.623 -2.845 8.547 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.006 0.083 7.848 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.215 -1.137 8.147 1.00 0.00 H new ATOM 0 HG SER A 21 0.001 -0.452 10.168 1.00 0.00 H new ATOM 276 N CYS A 22 2.312 -1.675 5.544 1.00 0.00 N ATOM 277 CA CYS A 22 2.095 -1.861 4.108 1.00 0.00 C ATOM 278 C CYS A 22 2.443 -3.243 3.646 1.00 0.00 C ATOM 279 O CYS A 22 1.901 -3.709 2.652 1.00 0.00 O ATOM 280 CB CYS A 22 2.658 -0.798 3.139 1.00 0.00 C ATOM 281 SG CYS A 22 1.637 0.717 3.201 1.00 0.00 S ATOM 0 H CYS A 22 3.093 -1.053 5.755 1.00 0.00 H new ATOM 0 HA CYS A 22 1.018 -1.706 4.043 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.688 -0.562 3.405 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.674 -1.193 2.123 1.00 0.00 H new ATOM 0 HG CYS A 22 2.400 1.761 3.064 1.00 0.00 H new ATOM 286 N LYS A 23 3.306 -3.947 4.417 1.00 0.00 N ATOM 287 CA LYS A 23 3.717 -5.317 4.203 1.00 0.00 C ATOM 288 C LYS A 23 2.529 -6.235 4.407 1.00 0.00 C ATOM 289 O LYS A 23 2.136 -6.999 3.532 1.00 0.00 O ATOM 290 CB LYS A 23 4.882 -5.746 5.133 1.00 0.00 C ATOM 291 CG LYS A 23 5.310 -7.234 5.049 1.00 0.00 C ATOM 292 CD LYS A 23 5.550 -7.880 6.429 1.00 0.00 C ATOM 293 CE LYS A 23 5.396 -9.410 6.422 1.00 0.00 C ATOM 294 NZ LYS A 23 5.672 -9.978 7.740 1.00 0.00 N ATOM 0 H LYS A 23 3.745 -3.536 5.241 1.00 0.00 H new ATOM 0 HA LYS A 23 4.085 -5.392 3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.749 -5.126 4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.597 -5.529 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.540 -7.797 4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.222 -7.309 4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.553 -7.625 6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.849 -7.455 7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.384 -9.674 6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.076 -9.843 5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.560 -11.011 7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.646 -9.745 8.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.007 -9.582 8.435 1.00 0.00 H new ATOM 308 N VAL A 24 1.925 -6.127 5.606 1.00 0.00 N ATOM 309 CA VAL A 24 0.816 -6.914 6.112 1.00 0.00 C ATOM 310 C VAL A 24 -0.441 -6.692 5.319 1.00 0.00 C ATOM 311 O VAL A 24 -1.190 -7.624 5.032 1.00 0.00 O ATOM 312 CB VAL A 24 0.563 -6.621 7.621 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.511 -7.529 8.252 1.00 0.00 C ATOM 314 CG2 VAL A 24 1.868 -6.662 8.446 1.00 0.00 C ATOM 0 H VAL A 24 2.233 -5.432 6.286 1.00 0.00 H new ATOM 0 HA VAL A 24 1.096 -7.962 6.002 1.00 0.00 H new ATOM 0 HB VAL A 24 0.170 -5.605 7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.635 -7.269 9.303 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.458 -7.390 7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.201 -8.571 8.170 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.644 -6.452 9.492 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.320 -7.650 8.363 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.562 -5.912 8.066 1.00 0.00 H new ATOM 324 N PHE A 25 -0.637 -5.415 4.929 1.00 0.00 N ATOM 325 CA PHE A 25 -1.692 -4.859 4.116 1.00 0.00 C ATOM 326 C PHE A 25 -1.700 -5.536 2.778 1.00 0.00 C ATOM 327 O PHE A 25 -2.718 -6.060 2.342 1.00 0.00 O ATOM 328 CB PHE A 25 -1.430 -3.342 3.922 1.00 0.00 C ATOM 329 CG PHE A 25 -2.375 -2.615 2.996 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.770 -2.802 3.016 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.802 -1.841 1.973 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.565 -2.275 1.990 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.591 -1.320 0.951 1.00 0.00 C ATOM 334 CZ PHE A 25 -3.972 -1.549 0.948 1.00 0.00 C ATOM 0 H PHE A 25 0.019 -4.688 5.216 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.655 -5.011 4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.469 -2.860 4.899 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.415 -3.215 3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.228 -3.353 3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.739 -1.648 1.979 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.634 -2.428 2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.138 -0.740 0.161 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.581 -1.166 0.142 1.00 0.00 H new ATOM 344 N PHE A 26 -0.500 -5.535 2.160 1.00 0.00 N ATOM 345 CA PHE A 26 -0.160 -6.050 0.859 1.00 0.00 C ATOM 346 C PHE A 26 -0.373 -7.531 0.754 1.00 0.00 C ATOM 347 O PHE A 26 -1.022 -7.991 -0.171 1.00 0.00 O ATOM 348 CB PHE A 26 1.296 -5.652 0.488 1.00 0.00 C ATOM 349 CG PHE A 26 1.767 -6.100 -0.867 1.00 0.00 C ATOM 350 CD1 PHE A 26 2.272 -7.391 -1.073 1.00 0.00 C ATOM 351 CD2 PHE A 26 1.733 -5.207 -1.944 1.00 0.00 C ATOM 352 CE1 PHE A 26 2.709 -7.771 -2.338 1.00 0.00 C ATOM 353 CE2 PHE A 26 2.193 -5.578 -3.212 1.00 0.00 C ATOM 354 CZ PHE A 26 2.694 -6.868 -3.403 1.00 0.00 C ATOM 0 H PHE A 26 0.316 -5.132 2.620 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.838 -5.596 0.137 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.382 -4.567 0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.969 -6.063 1.241 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.322 -8.090 -0.251 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.344 -4.211 -1.793 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.065 -8.778 -2.498 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.161 -4.876 -4.032 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.068 -7.166 -4.371 1.00 0.00 H new ATOM 364 N LYS A 27 0.156 -8.311 1.715 1.00 0.00 N ATOM 365 CA LYS A 27 0.124 -9.774 1.703 1.00 0.00 C ATOM 366 C LYS A 27 -1.282 -10.319 1.868 1.00 0.00 C ATOM 367 O LYS A 27 -1.591 -11.388 1.346 1.00 0.00 O ATOM 368 CB LYS A 27 1.238 -10.488 2.531 1.00 0.00 C ATOM 369 CG LYS A 27 1.123 -12.034 2.592 1.00 0.00 C ATOM 370 CD LYS A 27 2.380 -12.800 3.045 1.00 0.00 C ATOM 371 CE LYS A 27 3.412 -13.009 1.923 1.00 0.00 C ATOM 372 NZ LYS A 27 4.563 -13.780 2.392 1.00 0.00 N ATOM 0 H LYS A 27 0.626 -7.928 2.535 1.00 0.00 H new ATOM 0 HA LYS A 27 0.422 -10.059 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.208 -10.228 2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.220 -10.097 3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.306 -12.289 3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.842 -12.394 1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.851 -12.256 3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.081 -13.772 3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.942 -13.526 1.087 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.748 -12.041 1.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.240 -13.903 1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.025 -13.273 3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.244 -14.713 2.724 1.00 0.00 H new ATOM 386 N ARG A 28 -2.182 -9.556 2.541 1.00 0.00 N ATOM 387 CA ARG A 28 -3.584 -9.915 2.679 1.00 0.00 C ATOM 388 C ARG A 28 -4.360 -9.416 1.481 1.00 0.00 C ATOM 389 O ARG A 28 -5.332 -10.038 1.061 1.00 0.00 O ATOM 390 CB ARG A 28 -4.203 -9.408 4.007 1.00 0.00 C ATOM 391 CG ARG A 28 -4.448 -10.521 5.048 1.00 0.00 C ATOM 392 CD ARG A 28 -3.202 -11.336 5.436 1.00 0.00 C ATOM 393 NE ARG A 28 -3.645 -12.449 6.352 1.00 0.00 N ATOM 394 CZ ARG A 28 -2.758 -13.253 7.020 1.00 0.00 C ATOM 395 NH1 ARG A 28 -1.469 -12.872 7.257 1.00 0.00 N ATOM 396 NH2 ARG A 28 -3.186 -14.472 7.469 1.00 0.00 N ATOM 0 H ARG A 28 -1.938 -8.677 2.997 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.646 -11.003 2.716 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.543 -8.657 4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.149 -8.913 3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.863 -10.070 5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.202 -11.204 4.657 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.719 -11.742 4.547 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.470 -10.700 5.934 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.644 -12.610 6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.138 -11.963 6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.836 -13.496 7.758 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.148 -14.767 7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.543 -15.086 7.968 1.00 0.00 H new ATOM 410 N ALA A 29 -3.892 -8.301 0.876 1.00 0.00 N ATOM 411 CA ALA A 29 -4.489 -7.614 -0.256 1.00 0.00 C ATOM 412 C ALA A 29 -4.301 -8.358 -1.559 1.00 0.00 C ATOM 413 O ALA A 29 -5.167 -8.318 -2.432 1.00 0.00 O ATOM 414 CB ALA A 29 -3.987 -6.171 -0.392 1.00 0.00 C ATOM 0 H ALA A 29 -3.038 -7.843 1.195 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.558 -7.584 -0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.462 -5.700 -1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.235 -5.613 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.906 -6.173 -0.531 1.00 0.00 H new ATOM 420 N VAL A 30 -3.142 -9.057 -1.701 1.00 0.00 N ATOM 421 CA VAL A 30 -2.738 -9.822 -2.863 1.00 0.00 C ATOM 422 C VAL A 30 -3.376 -11.186 -2.759 1.00 0.00 C ATOM 423 O VAL A 30 -4.148 -11.597 -3.624 1.00 0.00 O ATOM 424 CB VAL A 30 -1.182 -9.962 -3.030 1.00 0.00 C ATOM 425 CG1 VAL A 30 -0.793 -10.902 -4.188 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.428 -8.633 -3.236 1.00 0.00 C ATOM 0 H VAL A 30 -2.444 -9.089 -0.958 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.073 -9.283 -3.749 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.876 -10.382 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.293 -10.962 -4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.200 -11.896 -4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.196 -10.513 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.638 -8.832 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.796 -8.142 -4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.593 -7.984 -2.376 1.00 0.00 H new ATOM 436 N GLU A 31 -3.027 -11.898 -1.666 1.00 0.00 N ATOM 437 CA GLU A 31 -3.440 -13.253 -1.353 1.00 0.00 C ATOM 438 C GLU A 31 -4.656 -13.205 -0.462 1.00 0.00 C ATOM 439 O GLU A 31 -4.686 -13.747 0.643 1.00 0.00 O ATOM 440 CB GLU A 31 -2.308 -14.084 -0.696 1.00 0.00 C ATOM 441 CG GLU A 31 -0.994 -14.174 -1.512 1.00 0.00 C ATOM 442 CD GLU A 31 -1.137 -15.049 -2.763 1.00 0.00 C ATOM 443 OE1 GLU A 31 -1.794 -14.597 -3.737 1.00 0.00 O ATOM 444 OE2 GLU A 31 -0.580 -16.180 -2.760 1.00 0.00 O ATOM 0 H GLU A 31 -2.416 -11.507 -0.949 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.684 -13.756 -2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.082 -13.653 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.677 -15.094 -0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.685 -13.172 -1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.204 -14.578 -0.879 1.00 0.00 H new ATOM 451 N GLY A 32 -5.705 -12.546 -0.989 1.00 0.00 N ATOM 452 CA GLY A 32 -6.985 -12.407 -0.345 1.00 0.00 C ATOM 453 C GLY A 32 -7.830 -11.591 -1.265 1.00 0.00 C ATOM 454 O GLY A 32 -7.734 -11.718 -2.485 1.00 0.00 O ATOM 0 H GLY A 32 -5.664 -12.090 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.437 -13.382 -0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.882 -11.919 0.624 1.00 0.00 H new ATOM 458 N GLN A 33 -8.684 -10.719 -0.675 1.00 0.00 N ATOM 459 CA GLN A 33 -9.589 -9.842 -1.383 1.00 0.00 C ATOM 460 C GLN A 33 -9.302 -8.456 -0.869 1.00 0.00 C ATOM 461 O GLN A 33 -8.212 -7.944 -1.116 1.00 0.00 O ATOM 462 CB GLN A 33 -11.080 -10.298 -1.340 1.00 0.00 C ATOM 463 CG GLN A 33 -11.596 -11.056 -0.085 1.00 0.00 C ATOM 464 CD GLN A 33 -12.018 -10.136 1.074 1.00 0.00 C ATOM 465 OE1 GLN A 33 -12.976 -9.364 0.940 1.00 0.00 O ATOM 466 NE2 GLN A 33 -11.284 -10.226 2.224 1.00 0.00 N ATOM 0 H GLN A 33 -8.748 -10.620 0.338 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.415 -9.869 -2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.700 -9.411 -1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.255 -10.936 -2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.446 -11.675 -0.372 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.815 -11.730 0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.503 -10.880 2.281 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.517 -9.639 3.025 1.00 0.00 H new ATOM 475 N HIS A 34 -10.279 -7.842 -0.159 1.00 0.00 N ATOM 476 CA HIS A 34 -10.312 -6.538 0.473 1.00 0.00 C ATOM 477 C HIS A 34 -11.489 -5.846 -0.157 1.00 0.00 C ATOM 478 O HIS A 34 -11.931 -6.205 -1.249 1.00 0.00 O ATOM 479 CB HIS A 34 -9.072 -5.602 0.405 1.00 0.00 C ATOM 480 CG HIS A 34 -7.959 -5.948 1.371 1.00 0.00 C ATOM 481 ND1 HIS A 34 -7.395 -4.941 2.141 1.00 0.00 N ATOM 482 CD2 HIS A 34 -7.339 -7.133 1.626 1.00 0.00 C ATOM 483 CE1 HIS A 34 -6.458 -5.541 2.848 1.00 0.00 C ATOM 484 NE2 HIS A 34 -6.382 -6.865 2.576 1.00 0.00 N ATOM 0 H HIS A 34 -11.164 -8.326 -0.009 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.357 -6.732 1.545 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -8.673 -5.624 -0.609 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -9.396 -4.579 0.598 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -7.649 -3.953 2.157 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.555 -8.090 1.174 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.824 -5.035 3.561 1.00 0.00 H new ATOM 492 N ASN A 35 -12.012 -4.813 0.543 1.00 0.00 N ATOM 493 CA ASN A 35 -13.109 -3.983 0.104 1.00 0.00 C ATOM 494 C ASN A 35 -12.527 -2.609 0.242 1.00 0.00 C ATOM 495 O ASN A 35 -12.665 -1.957 1.277 1.00 0.00 O ATOM 496 CB ASN A 35 -14.392 -4.125 0.963 1.00 0.00 C ATOM 497 CG ASN A 35 -15.019 -5.514 0.751 1.00 0.00 C ATOM 498 OD1 ASN A 35 -15.569 -5.793 -0.321 1.00 0.00 O ATOM 499 ND2 ASN A 35 -14.920 -6.392 1.795 1.00 0.00 N ATOM 0 H ASN A 35 -11.654 -4.542 1.459 1.00 0.00 H new ATOM 0 HA ASN A 35 -13.447 -4.247 -0.898 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.151 -3.983 2.017 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -15.108 -3.349 0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.311 -7.330 1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.455 -6.108 2.657 1.00 0.00 H new ATOM 506 N TYR A 36 -11.834 -2.151 -0.832 1.00 0.00 N ATOM 507 CA TYR A 36 -11.152 -0.886 -0.899 1.00 0.00 C ATOM 508 C TYR A 36 -12.082 0.183 -1.427 1.00 0.00 C ATOM 509 O TYR A 36 -12.382 1.145 -0.721 1.00 0.00 O ATOM 510 CB TYR A 36 -9.822 -0.914 -1.699 1.00 0.00 C ATOM 511 CG TYR A 36 -9.161 -2.250 -1.958 1.00 0.00 C ATOM 512 CD1 TYR A 36 -9.653 -3.119 -2.951 1.00 0.00 C ATOM 513 CD2 TYR A 36 -7.928 -2.560 -1.347 1.00 0.00 C ATOM 514 CE1 TYR A 36 -8.932 -4.259 -3.330 1.00 0.00 C ATOM 515 CE2 TYR A 36 -7.198 -3.690 -1.733 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.696 -4.538 -2.731 1.00 0.00 C ATOM 517 OH TYR A 36 -6.962 -5.683 -3.113 1.00 0.00 O ATOM 0 H TYR A 36 -11.748 -2.692 -1.693 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.861 -0.648 0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.007 -0.443 -2.665 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.104 -0.287 -1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.598 -2.904 -3.427 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.542 -1.916 -0.570 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.329 -4.923 -4.084 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.251 -3.908 -1.262 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.302 -5.436 -3.795 1.00 0.00 H new ATOM 597 N ASN A 42 -9.619 6.686 -9.051 1.00 0.00 N ATOM 598 CA ASN A 42 -8.193 6.723 -8.776 1.00 0.00 C ATOM 599 C ASN A 42 -7.821 8.199 -8.784 1.00 0.00 C ATOM 600 O ASN A 42 -7.045 8.663 -9.620 1.00 0.00 O ATOM 601 CB ASN A 42 -7.317 5.804 -9.689 1.00 0.00 C ATOM 602 CG ASN A 42 -5.821 5.778 -9.294 1.00 0.00 C ATOM 603 OD1 ASN A 42 -5.482 5.416 -8.164 1.00 0.00 O ATOM 604 ND2 ASN A 42 -4.933 6.183 -10.252 1.00 0.00 N ATOM 0 HA ASN A 42 -7.972 6.278 -7.806 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.711 4.788 -9.652 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.405 6.143 -10.721 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.934 6.196 -10.048 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.270 6.472 -11.170 1.00 0.00 H new ATOM 611 N ASP A 43 -8.444 8.961 -7.853 1.00 0.00 N ATOM 612 CA ASP A 43 -8.241 10.386 -7.696 1.00 0.00 C ATOM 613 C ASP A 43 -7.440 10.677 -6.477 1.00 0.00 C ATOM 614 O ASP A 43 -6.489 11.455 -6.544 1.00 0.00 O ATOM 615 CB ASP A 43 -9.542 11.246 -7.554 1.00 0.00 C ATOM 616 CG ASP A 43 -10.848 10.536 -7.147 1.00 0.00 C ATOM 617 OD1 ASP A 43 -10.859 9.800 -6.128 1.00 0.00 O ATOM 618 OD2 ASP A 43 -11.868 10.760 -7.853 1.00 0.00 O ATOM 0 H ASP A 43 -9.112 8.575 -7.186 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.741 10.663 -8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.346 12.027 -6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.717 11.743 -8.508 1.00 0.00 H new ATOM 623 N CYS A 44 -7.823 10.075 -5.326 1.00 0.00 N ATOM 624 CA CYS A 44 -7.288 10.319 -4.027 1.00 0.00 C ATOM 625 C CYS A 44 -5.798 10.066 -3.925 1.00 0.00 C ATOM 626 O CYS A 44 -5.269 9.115 -4.500 1.00 0.00 O ATOM 627 CB CYS A 44 -8.025 9.507 -2.903 1.00 0.00 C ATOM 628 SG CYS A 44 -9.446 8.461 -3.413 1.00 0.00 S ATOM 0 H CYS A 44 -8.559 9.369 -5.313 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.461 11.383 -3.868 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.292 8.865 -2.415 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.379 10.214 -2.153 1.00 0.00 H new ATOM 0 HG CYS A 44 -9.275 7.251 -2.969 1.00 0.00 H new ATOM 633 N ILE A 45 -5.103 10.949 -3.165 1.00 0.00 N ATOM 634 CA ILE A 45 -3.678 10.887 -2.907 1.00 0.00 C ATOM 635 C ILE A 45 -3.573 10.023 -1.686 1.00 0.00 C ATOM 636 O ILE A 45 -4.465 10.030 -0.841 1.00 0.00 O ATOM 637 CB ILE A 45 -3.020 12.283 -2.675 1.00 0.00 C ATOM 638 CG1 ILE A 45 -3.310 13.255 -3.847 1.00 0.00 C ATOM 639 CG2 ILE A 45 -1.504 12.222 -2.365 1.00 0.00 C ATOM 640 CD1 ILE A 45 -2.760 12.810 -5.213 1.00 0.00 C ATOM 0 H ILE A 45 -5.552 11.743 -2.709 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.139 10.491 -3.768 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.493 12.675 -1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.389 13.386 -3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.889 14.230 -3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.122 13.232 -2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.341 11.636 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.981 11.755 -3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.014 13.555 -5.967 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.676 12.708 -5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.200 11.851 -5.487 1.00 0.00 H new ATOM 652 N ILE A 46 -2.479 9.238 -1.600 1.00 0.00 N ATOM 653 CA ILE A 46 -2.244 8.314 -0.526 1.00 0.00 C ATOM 654 C ILE A 46 -0.888 8.642 -0.014 1.00 0.00 C ATOM 655 O ILE A 46 0.140 8.346 -0.623 1.00 0.00 O ATOM 656 CB ILE A 46 -2.429 6.847 -0.994 1.00 0.00 C ATOM 657 CG1 ILE A 46 -3.932 6.556 -1.207 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.801 5.743 -0.122 1.00 0.00 C ATOM 659 CD1 ILE A 46 -4.832 6.728 0.031 1.00 0.00 C ATOM 0 H ILE A 46 -1.735 9.246 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.967 8.408 0.284 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.862 6.795 -1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.301 7.212 -1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.037 5.533 -1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.007 4.768 -0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.723 5.895 -0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.228 5.784 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.864 6.498 -0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.501 6.051 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.769 7.757 0.386 1.00 0.00 H new ATOM 671 N ASP A 47 -0.915 9.285 1.169 1.00 0.00 N ATOM 672 CA ASP A 47 0.236 9.666 1.921 1.00 0.00 C ATOM 673 C ASP A 47 -0.212 9.496 3.354 1.00 0.00 C ATOM 674 O ASP A 47 -1.304 8.996 3.604 1.00 0.00 O ATOM 675 CB ASP A 47 0.858 11.046 1.576 1.00 0.00 C ATOM 676 CG ASP A 47 -0.047 12.268 1.811 1.00 0.00 C ATOM 677 OD1 ASP A 47 -1.112 12.367 1.147 1.00 0.00 O ATOM 678 OD2 ASP A 47 0.326 13.118 2.664 1.00 0.00 O ATOM 0 H ASP A 47 -1.789 9.552 1.622 1.00 0.00 H new ATOM 0 HA ASP A 47 1.096 9.042 1.677 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.766 11.172 2.166 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.158 11.036 0.528 1.00 0.00 H new ATOM 683 N LYS A 48 0.631 9.930 4.322 1.00 0.00 N ATOM 684 CA LYS A 48 0.472 9.788 5.760 1.00 0.00 C ATOM 685 C LYS A 48 -0.678 10.550 6.391 1.00 0.00 C ATOM 686 O LYS A 48 -0.996 10.337 7.561 1.00 0.00 O ATOM 687 CB LYS A 48 1.795 10.083 6.509 1.00 0.00 C ATOM 688 CG LYS A 48 2.688 11.200 5.923 1.00 0.00 C ATOM 689 CD LYS A 48 2.069 12.605 5.905 1.00 0.00 C ATOM 690 CE LYS A 48 3.046 13.678 5.398 1.00 0.00 C ATOM 691 NZ LYS A 48 2.416 14.996 5.363 1.00 0.00 N ATOM 0 H LYS A 48 1.494 10.420 4.085 1.00 0.00 H new ATOM 0 HA LYS A 48 0.199 8.739 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.552 10.346 7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.379 9.163 6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.614 11.238 6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.956 10.928 4.902 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.182 12.599 5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.740 12.865 6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.923 13.709 6.045 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.395 13.413 4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.100 15.699 5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.594 14.971 4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.105 15.258 6.320 1.00 0.00 H new ATOM 705 N ILE A 49 -1.328 11.446 5.616 1.00 0.00 N ATOM 706 CA ILE A 49 -2.451 12.268 6.025 1.00 0.00 C ATOM 707 C ILE A 49 -3.703 11.616 5.512 1.00 0.00 C ATOM 708 O ILE A 49 -4.674 11.421 6.243 1.00 0.00 O ATOM 709 CB ILE A 49 -2.320 13.733 5.494 1.00 0.00 C ATOM 710 CG1 ILE A 49 -1.168 14.508 6.180 1.00 0.00 C ATOM 711 CG2 ILE A 49 -3.628 14.559 5.507 1.00 0.00 C ATOM 712 CD1 ILE A 49 -1.277 14.641 7.708 1.00 0.00 C ATOM 0 H ILE A 49 -1.059 11.611 4.646 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.479 12.340 7.112 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.073 13.603 4.440 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.227 14.011 5.942 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.119 15.508 5.748 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.431 15.559 5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.374 14.069 4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.002 14.632 6.528 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.421 15.200 8.087 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.196 15.169 7.963 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.291 13.649 8.159 1.00 0.00 H new ATOM 724 N ARG A 50 -3.669 11.275 4.209 1.00 0.00 N ATOM 725 CA ARG A 50 -4.752 10.708 3.432 1.00 0.00 C ATOM 726 C ARG A 50 -4.869 9.216 3.583 1.00 0.00 C ATOM 727 O ARG A 50 -5.700 8.576 2.942 1.00 0.00 O ATOM 728 CB ARG A 50 -4.621 11.119 1.953 1.00 0.00 C ATOM 729 CG ARG A 50 -4.671 12.648 1.734 1.00 0.00 C ATOM 730 CD ARG A 50 -5.995 13.306 2.181 1.00 0.00 C ATOM 731 NE ARG A 50 -5.904 14.808 2.057 1.00 0.00 N ATOM 732 CZ ARG A 50 -5.928 15.462 0.850 1.00 0.00 C ATOM 733 NH1 ARG A 50 -6.498 14.906 -0.258 1.00 0.00 N ATOM 734 NH2 ARG A 50 -5.380 16.711 0.767 1.00 0.00 N ATOM 0 H ARG A 50 -2.825 11.402 3.650 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.680 11.118 3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.681 10.733 1.558 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.422 10.651 1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.847 13.109 2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.512 12.858 0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.818 12.933 1.571 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.214 13.032 3.213 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.821 15.362 2.909 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.922 13.980 -0.203 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.500 15.417 -1.141 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.963 17.141 1.593 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.388 17.213 -0.121 1.00 0.00 H new ATOM 748 N ARG A 51 -4.093 8.660 4.541 1.00 0.00 N ATOM 749 CA ARG A 51 -4.066 7.265 4.913 1.00 0.00 C ATOM 750 C ARG A 51 -5.291 7.000 5.766 1.00 0.00 C ATOM 751 O ARG A 51 -5.349 7.466 6.903 1.00 0.00 O ATOM 752 CB ARG A 51 -2.784 6.878 5.684 1.00 0.00 C ATOM 753 CG ARG A 51 -2.659 5.385 6.054 1.00 0.00 C ATOM 754 CD ARG A 51 -1.487 5.118 7.006 1.00 0.00 C ATOM 755 NE ARG A 51 -1.620 3.716 7.534 1.00 0.00 N ATOM 756 CZ ARG A 51 -0.860 3.254 8.576 1.00 0.00 C ATOM 757 NH1 ARG A 51 -0.147 4.092 9.385 1.00 0.00 N ATOM 758 NH2 ARG A 51 -0.836 1.912 8.823 1.00 0.00 N ATOM 0 H ARG A 51 -3.442 9.219 5.092 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.069 6.657 4.009 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.920 7.159 5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.740 7.467 6.600 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.586 5.049 6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.527 4.797 5.145 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.538 5.239 6.484 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.493 5.835 7.827 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.298 3.089 7.102 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.169 5.099 9.223 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.408 3.711 10.151 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.377 1.276 8.237 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.277 1.545 9.593 1.00 0.00 H new ATOM 772 N LYS A 52 -6.265 6.235 5.216 1.00 0.00 N ATOM 773 CA LYS A 52 -7.515 5.780 5.822 1.00 0.00 C ATOM 774 C LYS A 52 -8.668 6.550 5.228 1.00 0.00 C ATOM 775 O LYS A 52 -9.766 6.585 5.783 1.00 0.00 O ATOM 776 CB LYS A 52 -7.634 5.733 7.372 1.00 0.00 C ATOM 777 CG LYS A 52 -6.642 4.774 8.067 1.00 0.00 C ATOM 778 CD LYS A 52 -6.816 4.732 9.598 1.00 0.00 C ATOM 779 CE LYS A 52 -5.893 3.716 10.292 1.00 0.00 C ATOM 780 NZ LYS A 52 -6.106 3.712 11.739 1.00 0.00 N ATOM 0 H LYS A 52 -6.177 5.899 4.257 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.534 4.720 5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.482 6.738 7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.649 5.437 7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.774 3.770 7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.623 5.081 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.622 5.724 10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.852 4.488 9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.078 2.719 9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.853 3.958 10.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.471 3.018 12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.906 4.658 12.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.093 3.457 11.944 1.00 0.00 H new ATOM 794 N ASN A 53 -8.433 7.168 4.047 1.00 0.00 N ATOM 795 CA ASN A 53 -9.397 7.911 3.268 1.00 0.00 C ATOM 796 C ASN A 53 -9.800 6.995 2.146 1.00 0.00 C ATOM 797 O ASN A 53 -10.905 7.102 1.616 1.00 0.00 O ATOM 798 CB ASN A 53 -8.868 9.235 2.637 1.00 0.00 C ATOM 799 CG ASN A 53 -8.546 10.291 3.715 1.00 0.00 C ATOM 800 OD1 ASN A 53 -7.960 9.998 4.763 1.00 0.00 O ATOM 801 ND2 ASN A 53 -8.936 11.572 3.426 1.00 0.00 N ATOM 0 H ASN A 53 -7.513 7.149 3.607 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.204 8.211 3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.972 9.027 2.052 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.613 9.633 1.948 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.745 12.325 4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.418 11.773 2.550 1.00 0.00 H new ATOM 808 N CYS A 54 -8.883 6.070 1.765 1.00 0.00 N ATOM 809 CA CYS A 54 -9.082 5.151 0.680 1.00 0.00 C ATOM 810 C CYS A 54 -8.013 4.084 0.862 1.00 0.00 C ATOM 811 O CYS A 54 -6.835 4.439 0.874 1.00 0.00 O ATOM 812 CB CYS A 54 -8.924 5.887 -0.677 1.00 0.00 C ATOM 813 SG CYS A 54 -9.195 4.918 -2.177 1.00 0.00 S ATOM 0 H CYS A 54 -7.980 5.962 2.227 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.080 4.714 0.679 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.617 6.728 -0.688 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.917 6.303 -0.721 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.388 5.328 -3.110 1.00 0.00 H new ATOM 818 N PRO A 55 -8.366 2.778 0.956 1.00 0.00 N ATOM 819 CA PRO A 55 -7.391 1.684 0.921 1.00 0.00 C ATOM 820 C PRO A 55 -7.029 1.287 -0.505 1.00 0.00 C ATOM 821 O PRO A 55 -6.098 0.506 -0.688 1.00 0.00 O ATOM 822 CB PRO A 55 -8.081 0.516 1.631 1.00 0.00 C ATOM 823 CG PRO A 55 -9.303 1.141 2.312 1.00 0.00 C ATOM 824 CD PRO A 55 -9.672 2.291 1.381 1.00 0.00 C ATOM 0 HA PRO A 55 -6.456 1.979 1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.375 -0.259 0.923 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.418 0.048 2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.119 0.425 2.410 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.067 1.495 3.315 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.275 1.954 0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.246 3.062 1.895 1.00 0.00 H new ATOM 832 N ALA A 56 -7.750 1.761 -1.559 1.00 0.00 N ATOM 833 CA ALA A 56 -7.731 1.245 -2.914 1.00 0.00 C ATOM 834 C ALA A 56 -6.533 1.763 -3.649 1.00 0.00 C ATOM 835 O ALA A 56 -5.790 1.004 -4.263 1.00 0.00 O ATOM 836 CB ALA A 56 -8.969 1.692 -3.691 1.00 0.00 C ATOM 0 H ALA A 56 -8.385 2.553 -1.458 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.706 0.158 -2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.928 1.290 -4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.865 1.324 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.998 2.781 -3.734 1.00 0.00 H new ATOM 842 N CYS A 57 -6.320 3.098 -3.535 1.00 0.00 N ATOM 843 CA CYS A 57 -5.220 3.873 -4.044 1.00 0.00 C ATOM 844 C CYS A 57 -3.880 3.421 -3.500 1.00 0.00 C ATOM 845 O CYS A 57 -2.886 3.410 -4.218 1.00 0.00 O ATOM 846 CB CYS A 57 -5.459 5.377 -3.808 1.00 0.00 C ATOM 847 SG CYS A 57 -6.792 6.076 -4.864 1.00 0.00 S ATOM 0 H CYS A 57 -6.987 3.687 -3.036 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.176 3.700 -5.119 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.713 5.537 -2.760 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.533 5.919 -3.998 1.00 0.00 H new ATOM 0 HG CYS A 57 -7.556 6.844 -4.146 1.00 0.00 H new ATOM 852 N ARG A 58 -3.882 2.949 -2.232 1.00 0.00 N ATOM 853 CA ARG A 58 -2.779 2.346 -1.501 1.00 0.00 C ATOM 854 C ARG A 58 -2.354 1.040 -2.110 1.00 0.00 C ATOM 855 O ARG A 58 -1.168 0.728 -2.114 1.00 0.00 O ATOM 856 CB ARG A 58 -3.074 2.008 -0.020 1.00 0.00 C ATOM 857 CG ARG A 58 -3.676 3.149 0.816 1.00 0.00 C ATOM 858 CD ARG A 58 -2.914 3.440 2.129 1.00 0.00 C ATOM 859 NE ARG A 58 -2.908 2.237 3.053 1.00 0.00 N ATOM 860 CZ ARG A 58 -4.033 1.830 3.726 1.00 0.00 C ATOM 861 NH1 ARG A 58 -5.084 2.671 3.952 1.00 0.00 N ATOM 862 NH2 ARG A 58 -4.094 0.547 4.189 1.00 0.00 N ATOM 0 H ARG A 58 -4.727 2.990 -1.663 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.013 3.120 -1.557 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.758 1.160 0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.146 1.687 0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.696 4.056 0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.710 2.903 1.056 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.888 3.727 1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.375 4.287 2.637 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.041 1.714 3.178 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.048 3.634 3.617 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.906 2.337 4.456 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.312 -0.089 4.032 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.921 0.225 4.692 1.00 0.00 H new ATOM 876 N TYR A 59 -3.331 0.247 -2.639 1.00 0.00 N ATOM 877 CA TYR A 59 -3.111 -1.054 -3.254 1.00 0.00 C ATOM 878 C TYR A 59 -2.521 -0.828 -4.633 1.00 0.00 C ATOM 879 O TYR A 59 -1.734 -1.629 -5.131 1.00 0.00 O ATOM 880 CB TYR A 59 -4.404 -1.904 -3.310 1.00 0.00 C ATOM 881 CG TYR A 59 -4.201 -3.309 -3.864 1.00 0.00 C ATOM 882 CD1 TYR A 59 -3.393 -4.258 -3.202 1.00 0.00 C ATOM 883 CD2 TYR A 59 -4.842 -3.693 -5.057 1.00 0.00 C ATOM 884 CE1 TYR A 59 -3.253 -5.563 -3.705 1.00 0.00 C ATOM 885 CE2 TYR A 59 -4.691 -4.987 -5.570 1.00 0.00 C ATOM 886 CZ TYR A 59 -3.898 -5.922 -4.894 1.00 0.00 C ATOM 887 OH TYR A 59 -3.768 -7.233 -5.405 1.00 0.00 O ATOM 0 H TYR A 59 -4.313 0.522 -2.639 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.415 -1.630 -2.644 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.821 -1.978 -2.306 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.141 -1.386 -3.924 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.875 -3.978 -2.297 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.459 -2.980 -5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.650 -6.286 -3.176 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.187 -5.264 -6.488 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.281 -7.312 -6.236 1.00 0.00 H new ATOM 897 N ARG A 60 -2.834 0.349 -5.227 1.00 0.00 N ATOM 898 CA ARG A 60 -2.350 0.799 -6.509 1.00 0.00 C ATOM 899 C ARG A 60 -0.933 1.301 -6.392 1.00 0.00 C ATOM 900 O ARG A 60 -0.136 1.108 -7.303 1.00 0.00 O ATOM 901 CB ARG A 60 -3.292 1.813 -7.192 1.00 0.00 C ATOM 902 CG ARG A 60 -4.657 1.170 -7.513 1.00 0.00 C ATOM 903 CD ARG A 60 -5.745 2.153 -7.984 1.00 0.00 C ATOM 904 NE ARG A 60 -7.064 1.422 -8.094 1.00 0.00 N ATOM 905 CZ ARG A 60 -7.316 0.508 -9.086 1.00 0.00 C ATOM 906 NH1 ARG A 60 -6.713 0.589 -10.308 1.00 0.00 N ATOM 907 NH2 ARG A 60 -8.194 -0.511 -8.842 1.00 0.00 N ATOM 0 H ARG A 60 -3.460 1.024 -4.788 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.342 -0.063 -7.176 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.436 2.676 -6.542 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.833 2.179 -8.111 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.513 0.414 -8.285 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.016 0.653 -6.623 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.832 2.981 -7.281 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.472 2.581 -8.948 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.792 1.615 -7.406 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.055 1.344 -10.503 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.920 -0.105 -11.026 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.651 -0.584 -7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.392 -1.199 -9.569 1.00 0.00 H new ATOM 921 N LYS A 61 -0.593 1.921 -5.228 1.00 0.00 N ATOM 922 CA LYS A 61 0.681 2.556 -4.931 1.00 0.00 C ATOM 923 C LYS A 61 1.823 1.614 -4.795 1.00 0.00 C ATOM 924 O LYS A 61 2.888 1.855 -5.349 1.00 0.00 O ATOM 925 CB LYS A 61 0.629 3.446 -3.678 1.00 0.00 C ATOM 926 CG LYS A 61 0.429 4.930 -3.997 1.00 0.00 C ATOM 927 CD LYS A 61 1.712 5.773 -4.155 1.00 0.00 C ATOM 928 CE LYS A 61 2.586 5.392 -5.360 1.00 0.00 C ATOM 929 NZ LYS A 61 3.745 6.276 -5.467 1.00 0.00 N ATOM 0 H LYS A 61 -1.246 1.983 -4.447 1.00 0.00 H new ATOM 0 HA LYS A 61 0.859 3.173 -5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.182 3.107 -3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.555 3.324 -3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.147 5.007 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.176 5.372 -3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.432 6.823 -4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.307 5.678 -3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.920 4.359 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.995 5.448 -6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.319 5.998 -6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.423 7.258 -5.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.319 6.202 -4.603 1.00 0.00 H new ATOM 943 N CYS A 62 1.606 0.509 -4.056 1.00 0.00 N ATOM 944 CA CYS A 62 2.566 -0.549 -3.797 1.00 0.00 C ATOM 945 C CYS A 62 2.969 -1.226 -5.083 1.00 0.00 C ATOM 946 O CYS A 62 4.153 -1.428 -5.328 1.00 0.00 O ATOM 947 CB CYS A 62 2.111 -1.588 -2.741 1.00 0.00 C ATOM 948 SG CYS A 62 0.340 -1.979 -2.782 1.00 0.00 S ATOM 0 H CYS A 62 0.707 0.334 -3.607 1.00 0.00 H new ATOM 0 HA CYS A 62 3.433 -0.057 -3.356 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.676 -2.508 -2.888 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.364 -1.214 -1.749 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.347 -0.909 -2.513 1.00 0.00 H new ATOM 954 N LEU A 63 1.971 -1.499 -5.962 1.00 0.00 N ATOM 955 CA LEU A 63 2.128 -2.121 -7.260 1.00 0.00 C ATOM 956 C LEU A 63 2.852 -1.200 -8.222 1.00 0.00 C ATOM 957 O LEU A 63 3.699 -1.655 -8.990 1.00 0.00 O ATOM 958 CB LEU A 63 0.783 -2.600 -7.853 1.00 0.00 C ATOM 959 CG LEU A 63 0.077 -3.692 -7.007 1.00 0.00 C ATOM 960 CD1 LEU A 63 -1.358 -3.954 -7.501 1.00 0.00 C ATOM 961 CD2 LEU A 63 0.885 -5.002 -6.927 1.00 0.00 C ATOM 0 H LEU A 63 0.998 -1.273 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 63 2.740 -3.010 -7.111 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.116 -1.744 -7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.957 -2.988 -8.857 1.00 0.00 H new ATOM 0 HG LEU A 63 0.018 -3.298 -5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.820 -4.725 -6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.940 -3.035 -7.431 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.330 -4.288 -8.538 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.342 -5.728 -6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.031 -5.402 -7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.855 -4.804 -6.471 1.00 0.00 H new ATOM 973 N GLN A 64 2.567 0.136 -8.138 1.00 0.00 N ATOM 974 CA GLN A 64 3.168 1.208 -8.922 1.00 0.00 C ATOM 975 C GLN A 64 4.624 1.348 -8.572 1.00 0.00 C ATOM 976 O GLN A 64 5.481 1.467 -9.449 1.00 0.00 O ATOM 977 CB GLN A 64 2.464 2.579 -8.768 1.00 0.00 C ATOM 978 CG GLN A 64 1.220 2.726 -9.671 1.00 0.00 C ATOM 979 CD GLN A 64 0.466 4.022 -9.335 1.00 0.00 C ATOM 980 OE1 GLN A 64 -0.334 4.057 -8.392 1.00 0.00 O ATOM 981 NE2 GLN A 64 0.737 5.103 -10.128 1.00 0.00 N ATOM 0 H GLN A 64 1.872 0.489 -7.480 1.00 0.00 H new ATOM 0 HA GLN A 64 3.047 0.917 -9.965 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.168 2.714 -7.728 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.173 3.373 -9.004 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.522 2.734 -10.718 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.561 1.868 -9.536 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.406 5.019 -10.893 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.270 5.993 -9.954 1.00 0.00 H new ATOM 990 N ALA A 65 4.904 1.270 -7.247 1.00 0.00 N ATOM 991 CA ALA A 65 6.213 1.338 -6.622 1.00 0.00 C ATOM 992 C ALA A 65 7.128 0.217 -7.059 1.00 0.00 C ATOM 993 O ALA A 65 8.332 0.414 -7.214 1.00 0.00 O ATOM 994 CB ALA A 65 6.141 1.404 -5.089 1.00 0.00 C ATOM 0 H ALA A 65 4.162 1.150 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 65 6.644 2.276 -6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.150 1.453 -4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.584 2.291 -4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.638 0.514 -4.710 1.00 0.00 H new ATOM 1000 N GLY A 66 6.536 -0.978 -7.279 1.00 0.00 N ATOM 1001 CA GLY A 66 7.207 -2.139 -7.829 1.00 0.00 C ATOM 1002 C GLY A 66 7.200 -3.315 -6.905 1.00 0.00 C ATOM 1003 O GLY A 66 8.020 -4.218 -7.069 1.00 0.00 O ATOM 0 H GLY A 66 5.553 -1.149 -7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.726 -2.419 -8.766 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.238 -1.877 -8.065 1.00 0.00 H new ATOM 1007 N MET A 67 6.246 -3.363 -5.934 1.00 0.00 N ATOM 1008 CA MET A 67 6.142 -4.416 -4.931 1.00 0.00 C ATOM 1009 C MET A 67 5.713 -5.739 -5.527 1.00 0.00 C ATOM 1010 O MET A 67 5.185 -5.808 -6.637 1.00 0.00 O ATOM 1011 CB MET A 67 5.190 -4.109 -3.752 1.00 0.00 C ATOM 1012 CG MET A 67 5.783 -3.100 -2.756 1.00 0.00 C ATOM 1013 SD MET A 67 4.758 -2.969 -1.262 1.00 0.00 S ATOM 1014 CE MET A 67 5.206 -4.444 -0.308 1.00 0.00 C ATOM 0 H MET A 67 5.523 -2.649 -5.840 1.00 0.00 H new ATOM 0 HA MET A 67 7.158 -4.473 -4.539 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.250 -3.718 -4.142 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.957 -5.036 -3.228 1.00 0.00 H new ATOM 0 HG2 MET A 67 6.792 -3.407 -2.482 1.00 0.00 H new ATOM 0 HG3 MET A 67 5.865 -2.122 -3.231 1.00 0.00 H new ATOM 0 HE1 MET A 67 4.541 -4.538 0.550 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.112 -5.328 -0.939 1.00 0.00 H new ATOM 0 HE3 MET A 67 6.235 -4.354 0.039 1.00 0.00 H new ATOM 1024 N ASN A 68 5.937 -6.819 -4.747 1.00 0.00 N ATOM 1025 CA ASN A 68 5.560 -8.172 -5.095 1.00 0.00 C ATOM 1026 C ASN A 68 5.496 -8.773 -3.722 1.00 0.00 C ATOM 1027 O ASN A 68 5.623 -8.044 -2.750 1.00 0.00 O ATOM 1028 CB ASN A 68 6.635 -8.882 -5.982 1.00 0.00 C ATOM 1029 CG ASN A 68 6.088 -9.908 -7.000 1.00 0.00 C ATOM 1030 OD1 ASN A 68 5.036 -10.681 -6.601 1.00 0.00 O flip ATOM 1031 ND2 ASN A 68 6.618 -10.006 -8.113 1.00 0.00 N flip ATOM 0 H ASN A 68 6.397 -6.753 -3.839 1.00 0.00 H new ATOM 0 HA ASN A 68 4.649 -8.253 -5.688 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.193 -8.120 -6.526 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.343 -9.389 -5.327 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.402 -9.402 -8.359 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.271 -10.691 -8.785 1.00 0.00 H new ATOM 1038 N LEU A 69 5.278 -10.095 -3.579 1.00 0.00 N ATOM 1039 CA LEU A 69 5.463 -10.804 -2.324 1.00 0.00 C ATOM 1040 C LEU A 69 6.098 -12.120 -2.664 1.00 0.00 C ATOM 1041 O LEU A 69 5.929 -13.134 -1.987 1.00 0.00 O ATOM 1042 CB LEU A 69 4.251 -10.934 -1.388 1.00 0.00 C ATOM 1043 CG LEU A 69 2.996 -11.712 -1.854 1.00 0.00 C ATOM 1044 CD1 LEU A 69 1.802 -11.264 -1.002 1.00 0.00 C ATOM 1045 CD2 LEU A 69 2.663 -11.628 -3.353 1.00 0.00 C ATOM 0 H LEU A 69 4.967 -10.694 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 69 6.105 -10.186 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.600 -11.402 -0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.930 -9.925 -1.130 1.00 0.00 H new ATOM 0 HG LEU A 69 3.225 -12.767 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.908 -11.802 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.004 -11.478 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.645 -10.193 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.766 -12.211 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.492 -10.588 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.496 -12.025 -3.933 1.00 0.00 H new ATOM 1057 N GLU A 70 6.875 -12.072 -3.765 1.00 0.00 N ATOM 1058 CA GLU A 70 7.663 -13.115 -4.346 1.00 0.00 C ATOM 1059 C GLU A 70 8.788 -12.329 -4.963 1.00 0.00 C ATOM 1060 O GLU A 70 9.186 -12.527 -6.111 1.00 0.00 O ATOM 1061 CB GLU A 70 6.920 -13.955 -5.407 1.00 0.00 C ATOM 1062 CG GLU A 70 5.684 -14.701 -4.856 1.00 0.00 C ATOM 1063 CD GLU A 70 5.052 -15.589 -5.930 1.00 0.00 C ATOM 1064 OE1 GLU A 70 4.523 -15.030 -6.929 1.00 0.00 O ATOM 1065 OE2 GLU A 70 5.083 -16.837 -5.762 1.00 0.00 O ATOM 0 H GLU A 70 6.956 -11.208 -4.301 1.00 0.00 H new ATOM 0 HA GLU A 70 7.964 -13.864 -3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.606 -13.301 -6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.612 -14.682 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.975 -15.311 -4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.950 -13.979 -4.498 1.00 0.00 H new ATOM 1072 N ALA A 71 9.309 -11.389 -4.142 1.00 0.00 N ATOM 1073 CA ALA A 71 10.354 -10.441 -4.440 1.00 0.00 C ATOM 1074 C ALA A 71 11.642 -10.963 -3.850 1.00 0.00 C ATOM 1075 O ALA A 71 11.670 -12.042 -3.258 1.00 0.00 O ATOM 1076 CB ALA A 71 10.028 -9.076 -3.806 1.00 0.00 C ATOM 0 H ALA A 71 8.969 -11.283 -3.186 1.00 0.00 H new ATOM 0 HA ALA A 71 10.443 -10.316 -5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.824 -8.368 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.084 -8.705 -4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.945 -9.188 -2.725 1.00 0.00 H new ATOM 1082 N ARG A 72 12.744 -10.184 -4.006 1.00 0.00 N ATOM 1083 CA ARG A 72 14.069 -10.509 -3.509 1.00 0.00 C ATOM 1084 C ARG A 72 14.415 -9.567 -2.336 1.00 0.00 C ATOM 1085 O ARG A 72 13.715 -8.535 -2.153 1.00 0.00 O ATOM 1086 CB ARG A 72 15.157 -10.369 -4.599 1.00 0.00 C ATOM 1087 CG ARG A 72 14.932 -11.287 -5.819 1.00 0.00 C ATOM 1088 CD ARG A 72 16.063 -11.241 -6.866 1.00 0.00 C ATOM 1089 NE ARG A 72 16.125 -9.865 -7.483 1.00 0.00 N ATOM 1090 CZ ARG A 72 16.896 -9.591 -8.584 1.00 0.00 C ATOM 1091 NH1 ARG A 72 17.293 -10.569 -9.451 1.00 0.00 N ATOM 1092 NH2 ARG A 72 17.265 -8.297 -8.823 1.00 0.00 N ATOM 1093 OXT ARG A 72 15.397 -9.879 -1.610 1.00 0.00 O ATOM 0 H ARG A 72 12.714 -9.291 -4.498 1.00 0.00 H new ATOM 0 HA ARG A 72 14.052 -11.550 -3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.191 -9.333 -4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.129 -10.593 -4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.817 -12.313 -5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.995 -11.008 -6.301 1.00 0.00 H new ATOM 0 HD2 ARG A 72 17.017 -11.484 -6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.888 -11.990 -7.639 1.00 0.00 H new ATOM 0 HE ARG A 72 15.575 -9.113 -7.067 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.016 -11.537 -9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.866 -10.331 -10.260 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.967 -7.556 -8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.838 -8.072 -9.636 1.00 0.00 H new