USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=15 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 180:sc= 0 USER MOD Set 1.2: A 67 MET CE :methyl -163:sc= -0.811 (180deg=-1.43) USER MOD Set 2.1: A 42 ASN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0256) USER MOD Set 3.1: A 33 GLN : amide:sc= 0.0252 X(o=0.36,f=0.28) USER MOD Set 3.2: A 36 TYR OH : rot 91:sc= 0.339 USER MOD Single : A 1 LEU N :NH3+ -143:sc= 0 (180deg=-0.693) 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 USER MOD Single : A 13 HIS : no HD1:sc= -1.59 X(o=-1.6,f=-1.7) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.158 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.298) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -1.49 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -147:sc= -0.0179 (180deg=-1.2) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 113:sc= 0.724 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0.032) USER MOD Single : A 68 ASN : amide:sc= -0.684 K(o=-0.68,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 12.171 5.357 3.273 1.00 0.00 N ATOM 2 CA LEU A 1 10.844 5.940 3.071 1.00 0.00 C ATOM 3 C LEU A 1 9.947 4.970 2.358 1.00 0.00 C ATOM 4 O LEU A 1 10.351 4.326 1.391 1.00 0.00 O ATOM 5 CB LEU A 1 10.913 7.236 2.217 1.00 0.00 C ATOM 6 CG LEU A 1 11.778 8.389 2.786 1.00 0.00 C ATOM 7 CD1 LEU A 1 11.829 9.574 1.804 1.00 0.00 C ATOM 8 CD2 LEU A 1 11.332 8.839 4.189 1.00 0.00 C ATOM 0 H1 LEU A 1 12.545 5.656 4.196 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.102 4.320 3.247 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.811 5.681 2.520 1.00 0.00 H new ATOM 0 HA LEU A 1 10.450 6.175 4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.297 6.975 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.898 7.607 2.076 1.00 0.00 H new ATOM 0 HG LEU A 1 12.788 7.995 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 1 12.442 10.370 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.262 9.245 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.819 9.947 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.976 9.648 4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 1 10.300 9.188 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 1 11.404 7.999 4.880 1.00 0.00 H new ATOM 22 N CYS A 2 8.651 4.911 2.793 1.00 0.00 N ATOM 23 CA CYS A 2 7.544 4.137 2.286 1.00 0.00 C ATOM 24 C CYS A 2 7.258 4.801 0.977 1.00 0.00 C ATOM 25 O CYS A 2 7.277 6.026 0.907 1.00 0.00 O ATOM 26 CB CYS A 2 6.327 4.111 3.256 1.00 0.00 C ATOM 27 SG CYS A 2 4.934 3.128 2.610 1.00 0.00 S ATOM 0 H CYS A 2 8.358 5.474 3.591 1.00 0.00 H new ATOM 0 HA CYS A 2 7.771 3.076 2.177 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.641 3.701 4.216 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.992 5.132 3.440 1.00 0.00 H new ATOM 32 N LEU A 3 7.011 4.008 -0.086 1.00 0.00 N ATOM 33 CA LEU A 3 6.811 4.551 -1.402 1.00 0.00 C ATOM 34 C LEU A 3 5.399 4.354 -1.856 1.00 0.00 C ATOM 35 O LEU A 3 5.086 4.357 -3.046 1.00 0.00 O ATOM 36 CB LEU A 3 7.764 3.878 -2.390 1.00 0.00 C ATOM 37 CG LEU A 3 9.239 4.254 -2.126 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.224 3.330 -2.859 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.536 5.734 -2.441 1.00 0.00 C ATOM 0 H LEU A 3 6.950 2.991 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 3 7.015 5.621 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.649 2.796 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.494 4.165 -3.406 1.00 0.00 H new ATOM 0 HG LEU A 3 9.391 4.110 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.246 3.639 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.076 2.303 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.050 3.392 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.586 5.946 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.322 5.933 -3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.910 6.372 -1.816 1.00 0.00 H new ATOM 51 N VAL A 4 4.521 4.198 -0.861 1.00 0.00 N ATOM 52 CA VAL A 4 3.116 3.935 -1.018 1.00 0.00 C ATOM 53 C VAL A 4 2.316 4.993 -0.339 1.00 0.00 C ATOM 54 O VAL A 4 1.498 5.650 -0.977 1.00 0.00 O ATOM 55 CB VAL A 4 2.721 2.543 -0.462 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.257 2.166 -0.737 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.721 1.470 -0.910 1.00 0.00 C ATOM 0 H VAL A 4 4.800 4.257 0.118 1.00 0.00 H new ATOM 0 HA VAL A 4 2.902 3.941 -2.087 1.00 0.00 H new ATOM 0 HB VAL A 4 2.781 2.605 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.051 1.180 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.599 2.901 -0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.082 2.149 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.422 0.503 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.738 1.420 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.716 1.724 -0.543 1.00 0.00 H new ATOM 67 N CYS A 5 2.509 5.131 0.991 1.00 0.00 N ATOM 68 CA CYS A 5 1.769 6.071 1.805 1.00 0.00 C ATOM 69 C CYS A 5 2.721 7.148 2.253 1.00 0.00 C ATOM 70 O CYS A 5 2.424 7.947 3.139 1.00 0.00 O ATOM 71 CB CYS A 5 0.952 5.417 2.956 1.00 0.00 C ATOM 72 SG CYS A 5 1.857 4.585 4.317 1.00 0.00 S ATOM 0 H CYS A 5 3.190 4.582 1.516 1.00 0.00 H new ATOM 0 HA CYS A 5 0.982 6.522 1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.328 6.192 3.400 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.280 4.684 2.509 1.00 0.00 H new ATOM 77 N SER A 6 3.897 7.181 1.584 1.00 0.00 N ATOM 78 CA SER A 6 4.925 8.211 1.617 1.00 0.00 C ATOM 79 C SER A 6 5.254 8.784 2.974 1.00 0.00 C ATOM 80 O SER A 6 5.140 9.982 3.229 1.00 0.00 O ATOM 81 CB SER A 6 4.687 9.295 0.546 1.00 0.00 C ATOM 82 OG SER A 6 4.053 8.771 -0.617 1.00 0.00 O ATOM 0 H SER A 6 4.159 6.418 0.960 1.00 0.00 H new ATOM 0 HA SER A 6 5.840 7.677 1.358 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.071 10.090 0.967 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.640 9.744 0.267 1.00 0.00 H new ATOM 0 HG SER A 6 3.919 9.490 -1.269 1.00 0.00 H new ATOM 88 N ASP A 7 5.654 7.861 3.869 1.00 0.00 N ATOM 89 CA ASP A 7 5.938 8.102 5.261 1.00 0.00 C ATOM 90 C ASP A 7 7.300 7.493 5.436 1.00 0.00 C ATOM 91 O ASP A 7 7.785 6.832 4.531 1.00 0.00 O ATOM 92 CB ASP A 7 4.876 7.317 6.088 1.00 0.00 C ATOM 93 CG ASP A 7 4.920 7.555 7.605 1.00 0.00 C ATOM 94 OD1 ASP A 7 4.724 8.728 8.021 1.00 0.00 O ATOM 95 OD2 ASP A 7 5.153 6.572 8.358 1.00 0.00 O ATOM 0 H ASP A 7 5.789 6.884 3.609 1.00 0.00 H new ATOM 0 HA ASP A 7 5.911 9.147 5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.884 7.585 5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.008 6.251 5.900 1.00 0.00 H new ATOM 100 N GLU A 8 7.936 7.644 6.626 1.00 0.00 N ATOM 101 CA GLU A 8 9.210 7.037 6.968 1.00 0.00 C ATOM 102 C GLU A 8 9.038 5.534 7.084 1.00 0.00 C ATOM 103 O GLU A 8 8.260 5.066 7.915 1.00 0.00 O ATOM 104 CB GLU A 8 9.945 7.629 8.204 1.00 0.00 C ATOM 105 CG GLU A 8 9.538 9.062 8.640 1.00 0.00 C ATOM 106 CD GLU A 8 8.229 9.125 9.439 1.00 0.00 C ATOM 107 OE1 GLU A 8 8.137 8.444 10.495 1.00 0.00 O ATOM 108 OE2 GLU A 8 7.308 9.867 9.003 1.00 0.00 O ATOM 0 H GLU A 8 7.551 8.210 7.382 1.00 0.00 H new ATOM 0 HA GLU A 8 9.880 7.285 6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.784 6.958 9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.015 7.628 7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.340 9.489 9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.440 9.686 7.752 1.00 0.00 H new ATOM 115 N ALA A 9 9.755 4.750 6.233 1.00 0.00 N ATOM 116 CA ALA A 9 9.662 3.303 6.190 1.00 0.00 C ATOM 117 C ALA A 9 10.537 2.704 7.257 1.00 0.00 C ATOM 118 O ALA A 9 11.509 3.313 7.704 1.00 0.00 O ATOM 119 CB ALA A 9 10.066 2.698 4.829 1.00 0.00 C ATOM 0 H ALA A 9 10.417 5.132 5.557 1.00 0.00 H new ATOM 0 HA ALA A 9 8.612 3.063 6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.972 1.613 4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.413 3.089 4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.099 2.964 4.605 1.00 0.00 H new ATOM 125 N SER A 10 10.176 1.463 7.670 1.00 0.00 N ATOM 126 CA SER A 10 10.843 0.697 8.701 1.00 0.00 C ATOM 127 C SER A 10 11.820 -0.274 8.079 1.00 0.00 C ATOM 128 O SER A 10 12.572 -0.941 8.789 1.00 0.00 O ATOM 129 CB SER A 10 9.839 -0.084 9.576 1.00 0.00 C ATOM 130 OG SER A 10 8.911 0.807 10.179 1.00 0.00 O ATOM 0 H SER A 10 9.380 0.969 7.266 1.00 0.00 H new ATOM 0 HA SER A 10 11.374 1.404 9.338 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.308 -0.815 8.967 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.373 -0.639 10.347 1.00 0.00 H new ATOM 0 HG SER A 10 8.279 0.298 10.729 1.00 0.00 H new ATOM 136 N GLY A 11 11.828 -0.367 6.727 1.00 0.00 N ATOM 137 CA GLY A 11 12.719 -1.236 6.004 1.00 0.00 C ATOM 138 C GLY A 11 12.184 -1.347 4.616 1.00 0.00 C ATOM 139 O GLY A 11 11.592 -0.410 4.086 1.00 0.00 O ATOM 0 H GLY A 11 11.204 0.172 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.731 -0.832 5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.771 -2.216 6.477 1.00 0.00 H new ATOM 143 N CYS A 12 12.398 -2.530 4.000 1.00 0.00 N ATOM 144 CA CYS A 12 11.937 -2.891 2.679 1.00 0.00 C ATOM 145 C CYS A 12 11.365 -4.259 2.894 1.00 0.00 C ATOM 146 O CYS A 12 11.877 -5.019 3.717 1.00 0.00 O ATOM 147 CB CYS A 12 13.030 -2.881 1.573 1.00 0.00 C ATOM 148 SG CYS A 12 14.618 -3.673 2.041 1.00 0.00 S ATOM 0 H CYS A 12 12.923 -3.281 4.447 1.00 0.00 H new ATOM 0 HA CYS A 12 11.225 -2.161 2.294 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.637 -3.385 0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.227 -1.848 1.288 1.00 0.00 H new ATOM 0 HG CYS A 12 15.447 -3.606 1.042 1.00 0.00 H new ATOM 154 N HIS A 13 10.268 -4.598 2.175 1.00 0.00 N ATOM 155 CA HIS A 13 9.599 -5.857 2.378 1.00 0.00 C ATOM 156 C HIS A 13 8.972 -6.158 1.069 1.00 0.00 C ATOM 157 O HIS A 13 8.294 -5.304 0.507 1.00 0.00 O ATOM 158 CB HIS A 13 8.481 -5.784 3.440 1.00 0.00 C ATOM 159 CG HIS A 13 8.945 -5.236 4.766 1.00 0.00 C ATOM 160 ND1 HIS A 13 9.602 -6.043 5.681 1.00 0.00 N ATOM 161 CD2 HIS A 13 8.830 -3.968 5.248 1.00 0.00 C ATOM 162 CE1 HIS A 13 9.864 -5.245 6.699 1.00 0.00 C ATOM 163 NE2 HIS A 13 9.421 -3.979 6.490 1.00 0.00 N ATOM 0 H HIS A 13 9.848 -4.005 1.459 1.00 0.00 H new ATOM 0 HA HIS A 13 10.310 -6.605 2.728 1.00 0.00 H new ATOM 0 HB2 HIS A 13 7.671 -5.160 3.061 1.00 0.00 H new ATOM 0 HB3 HIS A 13 8.070 -6.782 3.592 1.00 0.00 H new ATOM 0 HD2 HIS A 13 8.369 -3.125 4.755 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.373 -5.563 7.597 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.509 -3.189 7.130 1.00 0.00 H new ATOM 171 N TYR A 14 9.195 -7.394 0.546 1.00 0.00 N ATOM 172 CA TYR A 14 8.667 -7.873 -0.714 1.00 0.00 C ATOM 173 C TYR A 14 9.581 -7.331 -1.775 1.00 0.00 C ATOM 174 O TYR A 14 10.766 -7.665 -1.767 1.00 0.00 O ATOM 175 CB TYR A 14 7.115 -7.750 -0.884 1.00 0.00 C ATOM 176 CG TYR A 14 6.434 -8.472 0.276 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.824 -9.767 0.694 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.421 -7.846 1.008 1.00 0.00 C ATOM 179 CE1 TYR A 14 6.384 -10.310 1.905 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.946 -8.399 2.198 1.00 0.00 C ATOM 181 CZ TYR A 14 5.470 -9.599 2.681 1.00 0.00 C ATOM 182 OH TYR A 14 5.071 -10.081 3.942 1.00 0.00 O ATOM 0 H TYR A 14 9.769 -8.090 1.023 1.00 0.00 H new ATOM 0 HA TYR A 14 8.692 -8.960 -0.792 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.819 -6.701 -0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.804 -8.185 -1.834 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.478 -10.350 0.062 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.999 -6.920 0.647 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.749 -11.271 2.236 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.167 -7.894 2.750 1.00 0.00 H new ATOM 0 HH TYR A 14 4.430 -9.457 4.343 1.00 0.00 H new ATOM 192 N GLY A 15 9.085 -6.468 -2.683 1.00 0.00 N ATOM 193 CA GLY A 15 9.892 -5.920 -3.750 1.00 0.00 C ATOM 194 C GLY A 15 10.320 -4.490 -3.555 1.00 0.00 C ATOM 195 O GLY A 15 11.172 -4.030 -4.315 1.00 0.00 O ATOM 0 H GLY A 15 8.118 -6.143 -2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.783 -6.537 -3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.332 -5.992 -4.682 1.00 0.00 H new ATOM 199 N VAL A 16 9.771 -3.738 -2.554 1.00 0.00 N ATOM 200 CA VAL A 16 9.995 -2.298 -2.485 1.00 0.00 C ATOM 201 C VAL A 16 10.189 -1.881 -1.056 1.00 0.00 C ATOM 202 O VAL A 16 9.774 -2.559 -0.120 1.00 0.00 O ATOM 203 CB VAL A 16 8.802 -1.492 -3.098 1.00 0.00 C ATOM 204 CG1 VAL A 16 8.974 0.026 -3.251 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.362 -2.033 -4.462 1.00 0.00 C ATOM 0 H VAL A 16 9.185 -4.114 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 16 10.889 -2.077 -3.068 1.00 0.00 H new ATOM 0 HB VAL A 16 8.046 -1.647 -2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.071 0.452 -3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.149 0.473 -2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.824 0.232 -3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.532 -1.436 -4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.196 -1.978 -5.162 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.045 -3.070 -4.357 1.00 0.00 H new ATOM 215 N LEU A 17 10.745 -0.650 -0.922 1.00 0.00 N ATOM 216 CA LEU A 17 11.005 0.128 0.271 1.00 0.00 C ATOM 217 C LEU A 17 9.657 0.649 0.744 1.00 0.00 C ATOM 218 O LEU A 17 9.186 1.681 0.268 1.00 0.00 O ATOM 219 CB LEU A 17 12.004 1.273 -0.039 1.00 0.00 C ATOM 220 CG LEU A 17 12.654 1.985 1.173 1.00 0.00 C ATOM 221 CD1 LEU A 17 13.631 1.076 1.938 1.00 0.00 C ATOM 222 CD2 LEU A 17 13.360 3.281 0.732 1.00 0.00 C ATOM 0 H LEU A 17 11.048 -0.141 -1.752 1.00 0.00 H new ATOM 0 HA LEU A 17 11.469 -0.470 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.802 0.868 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.485 2.024 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 17 11.845 2.236 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.058 1.625 2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.098 0.201 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.430 0.757 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.809 3.764 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.138 3.043 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.633 3.955 0.277 1.00 0.00 H new ATOM 234 N THR A 18 9.002 -0.090 1.667 1.00 0.00 N ATOM 235 CA THR A 18 7.668 0.188 2.169 1.00 0.00 C ATOM 236 C THR A 18 7.784 0.311 3.645 1.00 0.00 C ATOM 237 O THR A 18 8.813 -0.028 4.222 1.00 0.00 O ATOM 238 CB THR A 18 6.674 -0.998 1.905 1.00 0.00 C ATOM 239 OG1 THR A 18 7.344 -2.258 1.891 1.00 0.00 O ATOM 240 CG2 THR A 18 5.871 -0.831 0.618 1.00 0.00 C ATOM 0 H THR A 18 9.415 -0.922 2.088 1.00 0.00 H new ATOM 0 HA THR A 18 7.292 1.082 1.673 1.00 0.00 H new ATOM 0 HB THR A 18 5.972 -0.976 2.739 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.694 -2.972 1.726 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.203 -1.683 0.493 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.284 0.086 0.672 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.552 -0.776 -0.231 1.00 0.00 H new ATOM 248 N CYS A 19 6.681 0.765 4.306 1.00 0.00 N ATOM 249 CA CYS A 19 6.658 0.953 5.748 1.00 0.00 C ATOM 250 C CYS A 19 6.452 -0.398 6.421 1.00 0.00 C ATOM 251 O CYS A 19 6.584 -1.451 5.797 1.00 0.00 O ATOM 252 CB CYS A 19 5.711 2.058 6.319 1.00 0.00 C ATOM 253 SG CYS A 19 3.912 1.915 6.040 1.00 0.00 S ATOM 0 H CYS A 19 5.804 1.002 3.842 1.00 0.00 H new ATOM 0 HA CYS A 19 7.634 1.369 5.996 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.874 2.106 7.396 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.033 3.013 5.905 1.00 0.00 H new ATOM 258 N GLY A 20 6.096 -0.391 7.727 1.00 0.00 N ATOM 259 CA GLY A 20 5.838 -1.585 8.505 1.00 0.00 C ATOM 260 C GLY A 20 4.476 -2.132 8.172 1.00 0.00 C ATOM 261 O GLY A 20 4.310 -3.336 7.998 1.00 0.00 O ATOM 0 H GLY A 20 5.983 0.470 8.262 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.601 -2.336 8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.897 -1.355 9.569 1.00 0.00 H new ATOM 265 N SER A 21 3.487 -1.217 8.015 1.00 0.00 N ATOM 266 CA SER A 21 2.091 -1.513 7.756 1.00 0.00 C ATOM 267 C SER A 21 1.810 -1.950 6.332 1.00 0.00 C ATOM 268 O SER A 21 0.966 -2.820 6.142 1.00 0.00 O ATOM 269 CB SER A 21 1.188 -0.315 8.129 1.00 0.00 C ATOM 270 OG SER A 21 -0.183 -0.678 8.267 1.00 0.00 O ATOM 0 H SER A 21 3.668 -0.215 8.071 1.00 0.00 H new ATOM 0 HA SER A 21 1.853 -2.363 8.395 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.539 0.121 9.064 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.280 0.455 7.363 1.00 0.00 H new ATOM 0 HG SER A 21 -0.709 0.114 8.504 1.00 0.00 H new ATOM 276 N CYS A 22 2.512 -1.370 5.307 1.00 0.00 N ATOM 277 CA CYS A 22 2.297 -1.609 3.875 1.00 0.00 C ATOM 278 C CYS A 22 2.687 -2.999 3.468 1.00 0.00 C ATOM 279 O CYS A 22 2.163 -3.541 2.499 1.00 0.00 O ATOM 280 CB CYS A 22 2.898 -0.558 2.921 1.00 0.00 C ATOM 281 SG CYS A 22 1.899 0.970 2.991 1.00 0.00 S ATOM 0 H CYS A 22 3.264 -0.704 5.481 1.00 0.00 H new ATOM 0 HA CYS A 22 1.219 -1.498 3.759 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.929 -0.344 3.202 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.919 -0.945 1.902 1.00 0.00 H new ATOM 286 N LYS A 23 3.567 -3.616 4.289 1.00 0.00 N ATOM 287 CA LYS A 23 4.036 -4.978 4.222 1.00 0.00 C ATOM 288 C LYS A 23 2.870 -5.912 4.465 1.00 0.00 C ATOM 289 O LYS A 23 2.449 -6.669 3.597 1.00 0.00 O ATOM 290 CB LYS A 23 5.188 -5.218 5.234 1.00 0.00 C ATOM 291 CG LYS A 23 5.837 -6.619 5.250 1.00 0.00 C ATOM 292 CD LYS A 23 5.267 -7.642 6.252 1.00 0.00 C ATOM 293 CE LYS A 23 5.576 -7.291 7.717 1.00 0.00 C ATOM 294 NZ LYS A 23 5.167 -8.370 8.613 1.00 0.00 N ATOM 0 H LYS A 23 3.989 -3.115 5.071 1.00 0.00 H new ATOM 0 HA LYS A 23 4.444 -5.177 3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.971 -4.486 5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.807 -5.012 6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.754 -7.042 4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.900 -6.498 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.187 -7.707 6.121 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.675 -8.627 6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.644 -7.103 7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.059 -6.371 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.130 -8.015 9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.226 -8.715 8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.853 -9.149 8.554 1.00 0.00 H new ATOM 308 N VAL A 24 2.295 -5.797 5.680 1.00 0.00 N ATOM 309 CA VAL A 24 1.201 -6.586 6.232 1.00 0.00 C ATOM 310 C VAL A 24 -0.081 -6.439 5.462 1.00 0.00 C ATOM 311 O VAL A 24 -0.824 -7.401 5.268 1.00 0.00 O ATOM 312 CB VAL A 24 0.939 -6.221 7.728 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.105 -7.115 8.428 1.00 0.00 C ATOM 314 CG2 VAL A 24 2.238 -6.178 8.555 1.00 0.00 C ATOM 0 H VAL A 24 2.617 -5.092 6.343 1.00 0.00 H new ATOM 0 HA VAL A 24 1.523 -7.624 6.153 1.00 0.00 H new ATOM 0 HB VAL A 24 0.513 -5.219 7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.225 -6.792 9.462 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.060 -7.034 7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.232 -8.152 8.408 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.003 -5.920 9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.721 -7.155 8.526 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.910 -5.428 8.138 1.00 0.00 H new ATOM 324 N PHE A 25 -0.320 -5.198 4.995 1.00 0.00 N ATOM 325 CA PHE A 25 -1.423 -4.715 4.202 1.00 0.00 C ATOM 326 C PHE A 25 -1.496 -5.481 2.920 1.00 0.00 C ATOM 327 O PHE A 25 -2.499 -6.119 2.633 1.00 0.00 O ATOM 328 CB PHE A 25 -1.179 -3.218 3.892 1.00 0.00 C ATOM 329 CG PHE A 25 -2.157 -2.569 2.943 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.551 -2.586 3.134 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.634 -2.015 1.764 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.403 -2.072 2.146 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.480 -1.517 0.778 1.00 0.00 C ATOM 334 CZ PHE A 25 -3.866 -1.543 0.964 1.00 0.00 C ATOM 0 H PHE A 25 0.336 -4.444 5.196 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.359 -4.843 4.746 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.195 -2.666 4.832 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.177 -3.112 3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.965 -2.996 4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.564 -1.975 1.621 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.473 -2.084 2.296 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.066 -1.110 -0.132 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.522 -1.156 0.198 1.00 0.00 H new ATOM 344 N PHE A 26 -0.372 -5.423 2.176 1.00 0.00 N ATOM 345 CA PHE A 26 -0.133 -6.000 0.876 1.00 0.00 C ATOM 346 C PHE A 26 -0.197 -7.505 0.894 1.00 0.00 C ATOM 347 O PHE A 26 -0.777 -8.113 0.008 1.00 0.00 O ATOM 348 CB PHE A 26 1.215 -5.484 0.313 1.00 0.00 C ATOM 349 CG PHE A 26 1.574 -5.996 -1.061 1.00 0.00 C ATOM 350 CD1 PHE A 26 0.881 -5.594 -2.216 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.634 -6.901 -1.191 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.267 -6.069 -3.478 1.00 0.00 C ATOM 353 CE2 PHE A 26 3.033 -7.361 -2.444 1.00 0.00 C ATOM 354 CZ PHE A 26 2.342 -6.962 -3.590 1.00 0.00 C ATOM 0 H PHE A 26 0.450 -4.924 2.516 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.934 -5.678 0.210 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.184 -4.395 0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.010 -5.760 1.006 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.046 -4.915 -2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.150 -7.247 -0.308 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.737 -5.747 -4.362 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.878 -8.028 -2.529 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.634 -7.340 -4.559 1.00 0.00 H new ATOM 364 N LYS A 27 0.366 -8.141 1.936 1.00 0.00 N ATOM 365 CA LYS A 27 0.435 -9.592 2.083 1.00 0.00 C ATOM 366 C LYS A 27 -0.940 -10.199 2.288 1.00 0.00 C ATOM 367 O LYS A 27 -1.195 -11.315 1.838 1.00 0.00 O ATOM 368 CB LYS A 27 1.492 -10.085 3.111 1.00 0.00 C ATOM 369 CG LYS A 27 1.517 -11.615 3.369 1.00 0.00 C ATOM 370 CD LYS A 27 2.608 -12.119 4.331 1.00 0.00 C ATOM 371 CE LYS A 27 2.639 -11.392 5.688 1.00 0.00 C ATOM 372 NZ LYS A 27 3.686 -11.928 6.555 1.00 0.00 N ATOM 0 H LYS A 27 0.794 -7.641 2.715 1.00 0.00 H new ATOM 0 HA LYS A 27 0.809 -9.970 1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.479 -9.777 2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.314 -9.578 4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.546 -11.913 3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.641 -12.123 2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.458 -13.184 4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.580 -12.008 3.850 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.806 -10.327 5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.671 -11.493 6.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.681 -11.418 7.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.511 -12.939 6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.612 -11.809 6.096 1.00 0.00 H new ATOM 386 N ARG A 28 -1.862 -9.449 2.945 1.00 0.00 N ATOM 387 CA ARG A 28 -3.215 -9.892 3.213 1.00 0.00 C ATOM 388 C ARG A 28 -4.161 -9.442 2.128 1.00 0.00 C ATOM 389 O ARG A 28 -5.157 -10.103 1.855 1.00 0.00 O ATOM 390 CB ARG A 28 -3.700 -9.437 4.612 1.00 0.00 C ATOM 391 CG ARG A 28 -4.386 -10.552 5.427 1.00 0.00 C ATOM 392 CD ARG A 28 -3.410 -11.673 5.836 1.00 0.00 C ATOM 393 NE ARG A 28 -4.158 -12.744 6.588 1.00 0.00 N ATOM 394 CZ ARG A 28 -3.580 -13.951 6.888 1.00 0.00 C ATOM 395 NH1 ARG A 28 -2.519 -14.442 6.180 1.00 0.00 N ATOM 396 NH2 ARG A 28 -4.088 -14.692 7.918 1.00 0.00 N ATOM 0 H ARG A 28 -1.664 -8.513 3.299 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.207 -10.982 3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.847 -9.059 5.177 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.396 -8.607 4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.833 -10.120 6.322 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.199 -10.979 4.839 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.937 -12.099 4.951 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.613 -11.266 6.459 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.119 -12.567 6.881 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.134 -13.907 5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.113 -15.344 6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.886 -14.345 8.451 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.670 -15.592 8.154 1.00 0.00 H new ATOM 410 N ALA A 29 -3.821 -8.322 1.452 1.00 0.00 N ATOM 411 CA ALA A 29 -4.586 -7.668 0.406 1.00 0.00 C ATOM 412 C ALA A 29 -4.529 -8.440 -0.884 1.00 0.00 C ATOM 413 O ALA A 29 -5.509 -8.527 -1.618 1.00 0.00 O ATOM 414 CB ALA A 29 -4.130 -6.220 0.164 1.00 0.00 C ATOM 0 H ALA A 29 -2.948 -7.832 1.646 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.617 -7.642 0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.734 -5.776 -0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.251 -5.642 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.081 -6.214 -0.133 1.00 0.00 H new ATOM 420 N VAL A 30 -3.348 -9.032 -1.172 1.00 0.00 N ATOM 421 CA VAL A 30 -3.027 -9.762 -2.377 1.00 0.00 C ATOM 422 C VAL A 30 -3.676 -11.121 -2.358 1.00 0.00 C ATOM 423 O VAL A 30 -4.545 -11.414 -3.179 1.00 0.00 O ATOM 424 CB VAL A 30 -1.482 -9.849 -2.569 1.00 0.00 C ATOM 425 CG1 VAL A 30 -1.028 -10.810 -3.681 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.844 -8.467 -2.815 1.00 0.00 C ATOM 0 H VAL A 30 -2.563 -9.000 -0.521 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.428 -9.224 -3.236 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.130 -10.257 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.060 -10.806 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.375 -11.818 -3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.447 -10.487 -4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.233 -8.581 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.271 -8.024 -3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.042 -7.818 -1.962 1.00 0.00 H new ATOM 436 N GLU A 31 -3.238 -11.968 -1.402 1.00 0.00 N ATOM 437 CA GLU A 31 -3.691 -13.337 -1.244 1.00 0.00 C ATOM 438 C GLU A 31 -4.748 -13.392 -0.171 1.00 0.00 C ATOM 439 O GLU A 31 -4.686 -14.185 0.769 1.00 0.00 O ATOM 440 CB GLU A 31 -2.550 -14.358 -1.018 1.00 0.00 C ATOM 441 CG GLU A 31 -1.567 -13.981 0.107 1.00 0.00 C ATOM 442 CD GLU A 31 -0.559 -15.105 0.360 1.00 0.00 C ATOM 443 OE1 GLU A 31 -0.993 -16.200 0.810 1.00 0.00 O ATOM 444 OE2 GLU A 31 0.657 -14.886 0.112 1.00 0.00 O ATOM 0 H GLU A 31 -2.541 -11.696 -0.708 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.131 -13.650 -2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.989 -15.329 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.992 -14.472 -1.947 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.037 -13.067 -0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.120 -13.772 1.023 1.00 0.00 H new ATOM 451 N GLY A 32 -5.777 -12.534 -0.340 1.00 0.00 N ATOM 452 CA GLY A 32 -6.902 -12.476 0.558 1.00 0.00 C ATOM 453 C GLY A 32 -8.028 -11.761 -0.108 1.00 0.00 C ATOM 454 O GLY A 32 -9.101 -12.336 -0.280 1.00 0.00 O ATOM 0 H GLY A 32 -5.831 -11.869 -1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.211 -13.483 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.622 -11.961 1.477 1.00 0.00 H new ATOM 458 N GLN A 33 -7.800 -10.463 -0.457 1.00 0.00 N ATOM 459 CA GLN A 33 -8.708 -9.500 -1.049 1.00 0.00 C ATOM 460 C GLN A 33 -9.539 -8.907 0.057 1.00 0.00 C ATOM 461 O GLN A 33 -10.241 -9.618 0.777 1.00 0.00 O ATOM 462 CB GLN A 33 -9.584 -9.983 -2.227 1.00 0.00 C ATOM 463 CG GLN A 33 -8.807 -10.257 -3.535 1.00 0.00 C ATOM 464 CD GLN A 33 -8.505 -8.947 -4.284 1.00 0.00 C ATOM 465 OE1 GLN A 33 -9.383 -8.404 -4.965 1.00 0.00 O ATOM 466 NE2 GLN A 33 -7.246 -8.436 -4.141 1.00 0.00 N ATOM 0 H GLN A 33 -6.880 -10.048 -0.307 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.078 -8.755 -1.536 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.101 -10.895 -1.929 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.350 -9.233 -2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.874 -10.772 -3.306 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.389 -10.920 -4.175 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.559 -8.925 -3.567 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.993 -7.565 -4.608 1.00 0.00 H new ATOM 475 N HIS A 34 -9.461 -7.563 0.206 1.00 0.00 N ATOM 476 CA HIS A 34 -10.134 -6.818 1.245 1.00 0.00 C ATOM 477 C HIS A 34 -11.443 -6.302 0.704 1.00 0.00 C ATOM 478 O HIS A 34 -12.504 -6.707 1.178 1.00 0.00 O ATOM 479 CB HIS A 34 -9.273 -5.638 1.754 1.00 0.00 C ATOM 480 CG HIS A 34 -8.036 -6.047 2.526 1.00 0.00 C ATOM 481 ND1 HIS A 34 -7.471 -5.127 3.397 1.00 0.00 N ATOM 482 CD2 HIS A 34 -7.301 -7.197 2.517 1.00 0.00 C ATOM 483 CE1 HIS A 34 -6.421 -5.741 3.903 1.00 0.00 C ATOM 484 NE2 HIS A 34 -6.272 -6.993 3.408 1.00 0.00 N ATOM 0 H HIS A 34 -8.911 -6.973 -0.418 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.308 -7.484 2.091 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -8.969 -5.033 0.900 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -9.890 -5.004 2.391 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -7.797 -4.182 3.601 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.488 -8.085 1.931 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.756 -5.297 4.629 1.00 0.00 H new ATOM 492 N ASN A 35 -11.355 -5.390 -0.299 1.00 0.00 N ATOM 493 CA ASN A 35 -12.410 -4.690 -1.011 1.00 0.00 C ATOM 494 C ASN A 35 -12.051 -3.246 -0.770 1.00 0.00 C ATOM 495 O ASN A 35 -12.182 -2.735 0.341 1.00 0.00 O ATOM 496 CB ASN A 35 -13.907 -4.990 -0.656 1.00 0.00 C ATOM 497 CG ASN A 35 -14.923 -4.330 -1.618 1.00 0.00 C ATOM 498 OD1 ASN A 35 -15.612 -3.377 -1.238 1.00 0.00 O ATOM 499 ND2 ASN A 35 -14.997 -4.859 -2.877 1.00 0.00 N ATOM 0 H ASN A 35 -10.439 -5.111 -0.651 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.421 -5.027 -2.048 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.063 -6.069 -0.663 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.106 -4.646 0.359 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.646 -4.466 -3.558 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.403 -5.647 -3.135 1.00 0.00 H new ATOM 506 N TYR A 36 -11.587 -2.570 -1.847 1.00 0.00 N ATOM 507 CA TYR A 36 -11.146 -1.199 -1.862 1.00 0.00 C ATOM 508 C TYR A 36 -12.002 -0.513 -2.903 1.00 0.00 C ATOM 509 O TYR A 36 -12.552 -1.177 -3.782 1.00 0.00 O ATOM 510 CB TYR A 36 -9.626 -1.054 -2.168 1.00 0.00 C ATOM 511 CG TYR A 36 -8.838 -2.349 -2.158 1.00 0.00 C ATOM 512 CD1 TYR A 36 -8.872 -3.197 -3.283 1.00 0.00 C ATOM 513 CD2 TYR A 36 -8.040 -2.724 -1.057 1.00 0.00 C ATOM 514 CE1 TYR A 36 -8.175 -4.409 -3.290 1.00 0.00 C ATOM 515 CE2 TYR A 36 -7.328 -3.929 -1.068 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.411 -4.776 -2.178 1.00 0.00 C ATOM 517 OH TYR A 36 -6.721 -5.999 -2.182 1.00 0.00 O ATOM 0 H TYR A 36 -11.516 -3.009 -2.765 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.263 -0.743 -0.879 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.512 -0.586 -3.146 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.188 -0.375 -1.436 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.444 -2.907 -4.152 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.978 -2.074 -0.196 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.227 -5.059 -4.151 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.716 -4.204 -0.222 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.817 -5.863 -2.535 1.00 0.00 H new ATOM 527 N LEU A 37 -12.134 0.840 -2.815 1.00 0.00 N ATOM 528 CA LEU A 37 -12.959 1.644 -3.697 1.00 0.00 C ATOM 529 C LEU A 37 -12.167 2.739 -4.391 1.00 0.00 C ATOM 530 O LEU A 37 -12.137 3.878 -3.931 1.00 0.00 O ATOM 531 CB LEU A 37 -14.133 2.310 -2.936 1.00 0.00 C ATOM 532 CG LEU A 37 -15.110 1.336 -2.236 1.00 0.00 C ATOM 533 CD1 LEU A 37 -16.099 2.097 -1.333 1.00 0.00 C ATOM 534 CD2 LEU A 37 -15.851 0.425 -3.232 1.00 0.00 C ATOM 0 H LEU A 37 -11.651 1.392 -2.107 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.345 0.950 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.721 2.985 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.698 2.922 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.506 0.683 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -16.774 1.388 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -15.547 2.645 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -16.677 2.797 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.523 -0.238 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.428 1.037 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.127 -0.170 -3.789 1.00 0.00 H new ATOM 546 N CYS A 38 -11.548 2.382 -5.545 1.00 0.00 N ATOM 547 CA CYS A 38 -10.863 3.218 -6.524 1.00 0.00 C ATOM 548 C CYS A 38 -10.424 2.186 -7.515 1.00 0.00 C ATOM 549 O CYS A 38 -9.280 1.730 -7.524 1.00 0.00 O ATOM 550 CB CYS A 38 -9.633 4.107 -6.169 1.00 0.00 C ATOM 551 SG CYS A 38 -10.082 5.750 -5.517 1.00 0.00 S ATOM 0 H CYS A 38 -11.522 1.402 -5.827 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.563 4.009 -6.795 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.021 3.588 -5.431 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.018 4.235 -7.060 1.00 0.00 H new ATOM 556 N ALA A 39 -11.384 1.814 -8.379 1.00 0.00 N ATOM 557 CA ALA A 39 -11.268 0.852 -9.438 1.00 0.00 C ATOM 558 C ALA A 39 -11.549 1.536 -10.745 1.00 0.00 C ATOM 559 O ALA A 39 -11.238 1.005 -11.811 1.00 0.00 O ATOM 560 CB ALA A 39 -12.262 -0.305 -9.259 1.00 0.00 C ATOM 0 H ALA A 39 -12.319 2.218 -8.335 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.258 0.441 -9.420 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.146 -1.014 -10.079 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.067 -0.809 -8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.279 0.086 -9.259 1.00 0.00 H new ATOM 566 N GLY A 40 -12.145 2.747 -10.674 1.00 0.00 N ATOM 567 CA GLY A 40 -12.504 3.520 -11.838 1.00 0.00 C ATOM 568 C GLY A 40 -12.498 4.984 -11.536 1.00 0.00 C ATOM 569 O GLY A 40 -13.140 5.752 -12.252 1.00 0.00 O ATOM 0 H GLY A 40 -12.383 3.200 -9.792 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.805 3.310 -12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.493 3.221 -12.186 1.00 0.00 H new ATOM 573 N ARG A 41 -11.751 5.419 -10.486 1.00 0.00 N ATOM 574 CA ARG A 41 -11.622 6.800 -10.112 1.00 0.00 C ATOM 575 C ARG A 41 -10.144 7.015 -10.156 1.00 0.00 C ATOM 576 O ARG A 41 -9.585 7.350 -11.201 1.00 0.00 O ATOM 577 CB ARG A 41 -12.227 7.129 -8.723 1.00 0.00 C ATOM 578 CG ARG A 41 -13.769 7.073 -8.636 1.00 0.00 C ATOM 579 CD ARG A 41 -14.512 8.274 -9.254 1.00 0.00 C ATOM 580 NE ARG A 41 -14.480 8.181 -10.757 1.00 0.00 N ATOM 581 CZ ARG A 41 -14.855 9.218 -11.571 1.00 0.00 C ATOM 582 NH1 ARG A 41 -14.895 10.509 -11.127 1.00 0.00 N ATOM 583 NH2 ARG A 41 -15.173 8.952 -12.873 1.00 0.00 N ATOM 0 H ARG A 41 -11.224 4.787 -9.884 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.179 7.462 -10.775 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.814 6.433 -7.993 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.901 8.127 -8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.111 6.163 -9.130 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.054 6.992 -7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.544 8.293 -8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.048 9.205 -8.929 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.166 7.311 -11.187 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.641 10.725 -10.163 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.179 11.257 -11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.129 7.995 -13.223 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.454 9.710 -13.494 1.00 0.00 H new ATOM 597 N ASN A 42 -9.493 6.815 -8.985 1.00 0.00 N ATOM 598 CA ASN A 42 -8.082 6.948 -8.680 1.00 0.00 C ATOM 599 C ASN A 42 -7.842 8.445 -8.650 1.00 0.00 C ATOM 600 O ASN A 42 -7.140 9.008 -9.490 1.00 0.00 O ATOM 601 CB ASN A 42 -7.136 6.122 -9.607 1.00 0.00 C ATOM 602 CG ASN A 42 -5.663 6.139 -9.147 1.00 0.00 C ATOM 603 OD1 ASN A 42 -5.343 5.563 -8.102 1.00 0.00 O ATOM 604 ND2 ASN A 42 -4.777 6.806 -9.947 1.00 0.00 N ATOM 0 H ASN A 42 -10.014 6.527 -8.157 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.826 6.500 -7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.486 5.090 -9.645 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.197 6.517 -10.621 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.790 6.847 -9.692 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.103 7.263 -10.799 1.00 0.00 H new ATOM 611 N ASP A 43 -8.505 9.105 -7.672 1.00 0.00 N ATOM 612 CA ASP A 43 -8.456 10.537 -7.463 1.00 0.00 C ATOM 613 C ASP A 43 -7.663 10.902 -6.250 1.00 0.00 C ATOM 614 O ASP A 43 -6.698 11.657 -6.355 1.00 0.00 O ATOM 615 CB ASP A 43 -9.853 11.226 -7.293 1.00 0.00 C ATOM 616 CG ASP A 43 -11.053 10.347 -6.887 1.00 0.00 C ATOM 617 OD1 ASP A 43 -10.952 9.576 -5.900 1.00 0.00 O ATOM 618 OD2 ASP A 43 -12.107 10.466 -7.570 1.00 0.00 O ATOM 0 H ASP A 43 -9.101 8.625 -6.997 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.989 10.897 -8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.748 12.012 -6.545 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.101 11.714 -8.236 1.00 0.00 H new ATOM 623 N CYS A 44 -8.078 10.396 -5.065 1.00 0.00 N ATOM 624 CA CYS A 44 -7.565 10.722 -3.764 1.00 0.00 C ATOM 625 C CYS A 44 -6.076 10.487 -3.580 1.00 0.00 C ATOM 626 O CYS A 44 -5.464 9.672 -4.269 1.00 0.00 O ATOM 627 CB CYS A 44 -8.344 9.988 -2.613 1.00 0.00 C ATOM 628 SG CYS A 44 -9.447 8.603 -3.103 1.00 0.00 S ATOM 0 H CYS A 44 -8.829 9.707 -5.017 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.727 11.798 -3.697 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.613 9.604 -1.901 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.945 10.729 -2.085 1.00 0.00 H new ATOM 633 N ILE A 45 -5.476 11.226 -2.609 1.00 0.00 N ATOM 634 CA ILE A 45 -4.082 11.112 -2.224 1.00 0.00 C ATOM 635 C ILE A 45 -4.115 10.129 -1.091 1.00 0.00 C ATOM 636 O ILE A 45 -5.093 10.056 -0.348 1.00 0.00 O ATOM 637 CB ILE A 45 -3.417 12.450 -1.763 1.00 0.00 C ATOM 638 CG1 ILE A 45 -3.515 13.550 -2.853 1.00 0.00 C ATOM 639 CG2 ILE A 45 -1.958 12.293 -1.250 1.00 0.00 C ATOM 640 CD1 ILE A 45 -2.761 13.250 -4.159 1.00 0.00 C ATOM 0 H ILE A 45 -5.980 11.930 -2.070 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.476 10.808 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.000 12.771 -0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.567 13.712 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.134 14.484 -2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.571 13.267 -0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.944 11.618 -0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.335 11.884 -2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.893 14.079 -4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.700 13.121 -3.945 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.155 12.337 -4.605 1.00 0.00 H new ATOM 652 N ILE A 46 -3.024 9.347 -0.963 1.00 0.00 N ATOM 653 CA ILE A 46 -2.861 8.347 0.051 1.00 0.00 C ATOM 654 C ILE A 46 -1.560 8.680 0.689 1.00 0.00 C ATOM 655 O ILE A 46 -0.532 8.787 0.022 1.00 0.00 O ATOM 656 CB ILE A 46 -2.935 6.903 -0.541 1.00 0.00 C ATOM 657 CG1 ILE A 46 -4.228 6.193 -0.096 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.723 5.955 -0.357 1.00 0.00 C ATOM 659 CD1 ILE A 46 -5.524 6.947 -0.379 1.00 0.00 C ATOM 0 H ILE A 46 -2.223 9.414 -1.591 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.663 8.350 0.789 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.922 7.105 -1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.277 5.223 -0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.166 6.002 0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.938 4.995 -0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.842 6.397 -0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.536 5.806 0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.371 6.359 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.507 7.906 0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.620 7.115 -1.452 1.00 0.00 H new ATOM 671 N ASP A 47 -1.605 8.847 2.027 1.00 0.00 N ATOM 672 CA ASP A 47 -0.422 9.066 2.802 1.00 0.00 C ATOM 673 C ASP A 47 -0.773 8.649 4.208 1.00 0.00 C ATOM 674 O ASP A 47 -1.789 7.991 4.424 1.00 0.00 O ATOM 675 CB ASP A 47 0.294 10.440 2.631 1.00 0.00 C ATOM 676 CG ASP A 47 -0.540 11.656 3.059 1.00 0.00 C ATOM 677 OD1 ASP A 47 -1.286 12.195 2.201 1.00 0.00 O ATOM 678 OD2 ASP A 47 -0.440 12.057 4.250 1.00 0.00 O ATOM 0 H ASP A 47 -2.467 8.830 2.573 1.00 0.00 H new ATOM 0 HA ASP A 47 0.393 8.452 2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.217 10.428 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.576 10.560 1.585 1.00 0.00 H new ATOM 683 N LYS A 48 0.061 9.050 5.199 1.00 0.00 N ATOM 684 CA LYS A 48 -0.027 8.749 6.618 1.00 0.00 C ATOM 685 C LYS A 48 -1.258 9.298 7.334 1.00 0.00 C ATOM 686 O LYS A 48 -1.473 9.021 8.514 1.00 0.00 O ATOM 687 CB LYS A 48 1.239 9.255 7.343 1.00 0.00 C ATOM 688 CG LYS A 48 1.510 8.620 8.725 1.00 0.00 C ATOM 689 CD LYS A 48 1.784 9.656 9.832 1.00 0.00 C ATOM 690 CE LYS A 48 2.033 9.026 11.212 1.00 0.00 C ATOM 691 NZ LYS A 48 2.243 10.054 12.231 1.00 0.00 N ATOM 0 H LYS A 48 0.869 9.637 4.993 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.117 7.664 6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.102 9.072 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.158 10.335 7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.652 8.012 9.011 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.365 7.948 8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.651 10.254 9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.936 10.337 9.900 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.183 8.403 11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.904 8.373 11.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.409 9.601 13.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.069 10.632 11.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.401 10.661 12.290 1.00 0.00 H new ATOM 705 N ILE A 49 -2.097 10.086 6.631 1.00 0.00 N ATOM 706 CA ILE A 49 -3.273 10.721 7.173 1.00 0.00 C ATOM 707 C ILE A 49 -4.429 10.386 6.283 1.00 0.00 C ATOM 708 O ILE A 49 -5.506 10.010 6.747 1.00 0.00 O ATOM 709 CB ILE A 49 -3.060 12.267 7.284 1.00 0.00 C ATOM 710 CG1 ILE A 49 -2.053 12.640 8.403 1.00 0.00 C ATOM 711 CG2 ILE A 49 -4.358 13.101 7.378 1.00 0.00 C ATOM 712 CD1 ILE A 49 -2.500 12.289 9.832 1.00 0.00 C ATOM 0 H ILE A 49 -1.953 10.292 5.642 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.474 10.358 8.181 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.620 12.547 6.327 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.108 12.136 8.201 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.860 13.712 8.353 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.106 14.159 7.451 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.964 12.933 6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.921 12.800 8.262 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.727 12.590 10.539 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.427 12.814 10.063 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.663 11.214 9.908 1.00 0.00 H new ATOM 724 N ARG A 50 -4.204 10.552 4.967 1.00 0.00 N ATOM 725 CA ARG A 50 -5.163 10.462 3.903 1.00 0.00 C ATOM 726 C ARG A 50 -5.586 9.058 3.552 1.00 0.00 C ATOM 727 O ARG A 50 -6.492 8.869 2.742 1.00 0.00 O ATOM 728 CB ARG A 50 -4.592 11.197 2.673 1.00 0.00 C ATOM 729 CG ARG A 50 -5.609 12.067 1.920 1.00 0.00 C ATOM 730 CD ARG A 50 -6.088 13.300 2.717 1.00 0.00 C ATOM 731 NE ARG A 50 -7.049 14.129 1.897 1.00 0.00 N ATOM 732 CZ ARG A 50 -6.649 14.909 0.840 1.00 0.00 C ATOM 733 NH1 ARG A 50 -5.352 15.311 0.692 1.00 0.00 N ATOM 734 NH2 ARG A 50 -7.580 15.310 -0.076 1.00 0.00 N ATOM 0 H ARG A 50 -3.271 10.768 4.616 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.080 10.936 4.253 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.763 11.827 2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.183 10.459 1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.163 12.402 0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.473 11.456 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.574 12.977 3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.230 13.908 3.005 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.040 14.108 2.140 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.650 15.032 1.378 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.085 15.890 -0.104 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -8.555 15.030 0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.300 15.890 -0.867 1.00 0.00 H new ATOM 748 N ARG A 51 -4.980 8.042 4.229 1.00 0.00 N ATOM 749 CA ARG A 51 -5.269 6.624 4.029 1.00 0.00 C ATOM 750 C ARG A 51 -6.619 6.238 4.605 1.00 0.00 C ATOM 751 O ARG A 51 -7.172 5.190 4.277 1.00 0.00 O ATOM 752 CB ARG A 51 -4.193 5.612 4.522 1.00 0.00 C ATOM 753 CG ARG A 51 -4.157 5.237 6.028 1.00 0.00 C ATOM 754 CD ARG A 51 -3.534 6.285 6.968 1.00 0.00 C ATOM 755 NE ARG A 51 -2.037 6.108 7.024 1.00 0.00 N ATOM 756 CZ ARG A 51 -1.421 5.079 7.692 1.00 0.00 C ATOM 757 NH1 ARG A 51 -2.059 4.366 8.665 1.00 0.00 N ATOM 758 NH2 ARG A 51 -0.125 4.773 7.384 1.00 0.00 N ATOM 0 H ARG A 51 -4.266 8.207 4.939 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.268 6.537 2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.322 4.690 3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.215 6.015 4.258 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.177 5.042 6.358 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.603 4.305 6.137 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.776 7.288 6.618 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.957 6.185 7.968 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.452 6.789 6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.022 4.592 8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.573 3.607 9.143 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.369 5.306 6.668 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.349 4.012 7.870 1.00 0.00 H new ATOM 772 N LYS A 52 -7.147 7.099 5.518 1.00 0.00 N ATOM 773 CA LYS A 52 -8.359 6.932 6.285 1.00 0.00 C ATOM 774 C LYS A 52 -9.565 7.432 5.520 1.00 0.00 C ATOM 775 O LYS A 52 -10.635 7.647 6.090 1.00 0.00 O ATOM 776 CB LYS A 52 -8.267 7.660 7.652 1.00 0.00 C ATOM 777 CG LYS A 52 -7.014 7.281 8.472 1.00 0.00 C ATOM 778 CD LYS A 52 -6.843 8.034 9.810 1.00 0.00 C ATOM 779 CE LYS A 52 -7.765 7.591 10.964 1.00 0.00 C ATOM 780 NZ LYS A 52 -9.134 8.087 10.825 1.00 0.00 N ATOM 0 H LYS A 52 -6.685 7.982 5.734 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.478 5.864 6.467 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.267 8.737 7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.157 7.430 8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.046 6.211 8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.131 7.461 7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.809 7.923 10.136 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.007 9.096 9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.782 6.502 11.010 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.351 7.944 11.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.535 8.269 11.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.129 8.969 10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.713 7.376 10.334 1.00 0.00 H new ATOM 794 N ASN A 53 -9.396 7.607 4.188 1.00 0.00 N ATOM 795 CA ASN A 53 -10.391 8.027 3.243 1.00 0.00 C ATOM 796 C ASN A 53 -10.478 6.947 2.204 1.00 0.00 C ATOM 797 O ASN A 53 -11.533 6.775 1.593 1.00 0.00 O ATOM 798 CB ASN A 53 -10.069 9.365 2.516 1.00 0.00 C ATOM 799 CG ASN A 53 -10.006 10.517 3.536 1.00 0.00 C ATOM 800 OD1 ASN A 53 -11.021 10.860 4.155 1.00 0.00 O ATOM 801 ND2 ASN A 53 -8.785 11.106 3.713 1.00 0.00 N ATOM 0 H ASN A 53 -8.494 7.441 3.743 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.317 8.195 3.793 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.118 9.282 1.989 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.832 9.574 1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.679 11.868 4.383 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.980 10.783 3.176 1.00 0.00 H new ATOM 808 N CYS A 54 -9.367 6.194 1.967 1.00 0.00 N ATOM 809 CA CYS A 54 -9.320 5.218 0.901 1.00 0.00 C ATOM 810 C CYS A 54 -8.135 4.274 1.138 1.00 0.00 C ATOM 811 O CYS A 54 -7.022 4.761 1.334 1.00 0.00 O ATOM 812 CB CYS A 54 -9.188 5.994 -0.443 1.00 0.00 C ATOM 813 SG CYS A 54 -8.998 5.051 -1.975 1.00 0.00 S ATOM 0 H CYS A 54 -8.507 6.263 2.512 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.223 4.608 0.869 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -10.072 6.623 -0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.330 6.661 -0.357 1.00 0.00 H new ATOM 818 N PRO A 55 -8.327 2.928 1.057 1.00 0.00 N ATOM 819 CA PRO A 55 -7.250 1.935 1.018 1.00 0.00 C ATOM 820 C PRO A 55 -7.097 1.338 -0.385 1.00 0.00 C ATOM 821 O PRO A 55 -6.477 0.284 -0.519 1.00 0.00 O ATOM 822 CB PRO A 55 -7.762 0.877 1.984 1.00 0.00 C ATOM 823 CG PRO A 55 -9.282 0.859 1.752 1.00 0.00 C ATOM 824 CD PRO A 55 -9.622 2.297 1.324 1.00 0.00 C ATOM 0 HA PRO A 55 -6.273 2.345 1.273 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.317 -0.097 1.781 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.520 1.129 3.016 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.558 0.140 0.981 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.819 0.577 2.658 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.256 2.306 0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.164 2.825 2.109 1.00 0.00 H new ATOM 832 N ALA A 56 -7.639 1.957 -1.468 1.00 0.00 N ATOM 833 CA ALA A 56 -7.670 1.449 -2.821 1.00 0.00 C ATOM 834 C ALA A 56 -6.498 1.993 -3.561 1.00 0.00 C ATOM 835 O ALA A 56 -5.782 1.244 -4.218 1.00 0.00 O ATOM 836 CB ALA A 56 -8.954 1.831 -3.549 1.00 0.00 C ATOM 0 H ALA A 56 -8.084 2.872 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.632 0.361 -2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.932 1.428 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.811 1.422 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.038 2.917 -3.593 1.00 0.00 H new ATOM 842 N CYS A 57 -6.245 3.320 -3.395 1.00 0.00 N ATOM 843 CA CYS A 57 -5.115 4.070 -3.880 1.00 0.00 C ATOM 844 C CYS A 57 -3.826 3.532 -3.316 1.00 0.00 C ATOM 845 O CYS A 57 -2.826 3.478 -4.011 1.00 0.00 O ATOM 846 CB CYS A 57 -5.228 5.570 -3.550 1.00 0.00 C ATOM 847 SG CYS A 57 -6.518 6.477 -4.478 1.00 0.00 S ATOM 0 H CYS A 57 -6.892 3.913 -2.875 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.112 3.957 -4.964 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.427 5.677 -2.484 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.265 6.042 -3.743 1.00 0.00 H new ATOM 852 N ARG A 58 -3.886 3.057 -2.054 1.00 0.00 N ATOM 853 CA ARG A 58 -2.859 2.384 -1.282 1.00 0.00 C ATOM 854 C ARG A 58 -2.410 1.098 -1.926 1.00 0.00 C ATOM 855 O ARG A 58 -1.222 0.784 -1.932 1.00 0.00 O ATOM 856 CB ARG A 58 -3.350 1.982 0.131 1.00 0.00 C ATOM 857 CG ARG A 58 -3.185 3.096 1.171 1.00 0.00 C ATOM 858 CD ARG A 58 -1.784 3.184 1.802 1.00 0.00 C ATOM 859 NE ARG A 58 -1.471 1.950 2.610 1.00 0.00 N ATOM 860 CZ ARG A 58 -1.946 1.718 3.871 1.00 0.00 C ATOM 861 NH1 ARG A 58 -2.294 2.741 4.699 1.00 0.00 N ATOM 862 NH2 ARG A 58 -2.018 0.433 4.330 1.00 0.00 N ATOM 0 H ARG A 58 -4.745 3.152 -1.512 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.047 3.109 -1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.401 1.699 0.076 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.800 1.101 0.462 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.417 4.051 0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.917 2.945 1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.037 3.308 1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.725 4.065 2.441 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.867 1.244 2.189 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.203 3.706 4.383 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.646 2.542 5.635 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.719 -0.339 3.734 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.370 0.246 5.269 1.00 0.00 H new ATOM 876 N TYR A 59 -3.381 0.317 -2.474 1.00 0.00 N ATOM 877 CA TYR A 59 -3.160 -0.980 -3.085 1.00 0.00 C ATOM 878 C TYR A 59 -2.616 -0.745 -4.480 1.00 0.00 C ATOM 879 O TYR A 59 -1.775 -1.500 -4.966 1.00 0.00 O ATOM 880 CB TYR A 59 -4.466 -1.814 -3.100 1.00 0.00 C ATOM 881 CG TYR A 59 -4.280 -3.237 -3.598 1.00 0.00 C ATOM 882 CD1 TYR A 59 -3.640 -4.209 -2.800 1.00 0.00 C ATOM 883 CD2 TYR A 59 -4.766 -3.619 -4.862 1.00 0.00 C ATOM 884 CE1 TYR A 59 -3.504 -5.533 -3.249 1.00 0.00 C ATOM 885 CE2 TYR A 59 -4.624 -4.935 -5.316 1.00 0.00 C ATOM 886 CZ TYR A 59 -3.994 -5.892 -4.511 1.00 0.00 C ATOM 887 OH TYR A 59 -3.861 -7.220 -4.973 1.00 0.00 O ATOM 0 H TYR A 59 -4.361 0.601 -2.492 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.439 -1.559 -2.508 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.879 -1.843 -2.092 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.200 -1.311 -3.730 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.250 -3.931 -1.832 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.254 -2.888 -5.489 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.024 -6.271 -2.624 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.001 -5.213 -6.289 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.256 -7.297 -5.867 1.00 0.00 H new ATOM 897 N ARG A 60 -3.041 0.381 -5.110 1.00 0.00 N ATOM 898 CA ARG A 60 -2.633 0.823 -6.425 1.00 0.00 C ATOM 899 C ARG A 60 -1.216 1.335 -6.410 1.00 0.00 C ATOM 900 O ARG A 60 -0.455 1.083 -7.339 1.00 0.00 O ATOM 901 CB ARG A 60 -3.554 1.902 -7.047 1.00 0.00 C ATOM 902 CG ARG A 60 -5.020 1.469 -7.275 1.00 0.00 C ATOM 903 CD ARG A 60 -5.420 1.089 -8.720 1.00 0.00 C ATOM 904 NE ARG A 60 -5.030 -0.327 -9.076 1.00 0.00 N ATOM 905 CZ ARG A 60 -3.757 -0.715 -9.407 1.00 0.00 C ATOM 906 NH1 ARG A 60 -2.828 0.170 -9.871 1.00 0.00 N ATOM 907 NH2 ARG A 60 -3.421 -2.034 -9.288 1.00 0.00 N ATOM 0 H ARG A 60 -3.708 1.019 -4.676 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.710 -0.064 -7.054 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.548 2.778 -6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.131 2.210 -8.003 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.226 0.615 -6.630 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.669 2.281 -6.946 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.497 1.206 -8.838 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.946 1.779 -9.418 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.760 -1.039 -9.070 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.072 1.154 -9.981 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.890 -0.153 -10.108 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.112 -2.708 -8.958 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.480 -2.344 -9.529 1.00 0.00 H new ATOM 921 N LYS A 61 -0.843 2.049 -5.314 1.00 0.00 N ATOM 922 CA LYS A 61 0.417 2.744 -5.131 1.00 0.00 C ATOM 923 C LYS A 61 1.572 1.811 -4.971 1.00 0.00 C ATOM 924 O LYS A 61 2.609 1.986 -5.605 1.00 0.00 O ATOM 925 CB LYS A 61 0.391 3.751 -3.953 1.00 0.00 C ATOM 926 CG LYS A 61 0.440 5.236 -4.360 1.00 0.00 C ATOM 927 CD LYS A 61 -0.898 5.893 -4.756 1.00 0.00 C ATOM 928 CE LYS A 61 -1.444 5.481 -6.132 1.00 0.00 C ATOM 929 NZ LYS A 61 -2.719 6.143 -6.402 1.00 0.00 N ATOM 0 H LYS A 61 -1.458 2.147 -4.506 1.00 0.00 H new ATOM 0 HA LYS A 61 0.556 3.309 -6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.514 3.580 -3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.237 3.542 -3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.864 5.802 -3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.129 5.336 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.643 5.649 -3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.772 6.976 -4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.723 5.740 -6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.575 4.400 -6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.029 5.918 -7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.433 5.810 -5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.603 7.172 -6.306 1.00 0.00 H new ATOM 943 N CYS A 62 1.370 0.776 -4.125 1.00 0.00 N ATOM 944 CA CYS A 62 2.321 -0.255 -3.778 1.00 0.00 C ATOM 945 C CYS A 62 2.676 -1.105 -4.978 1.00 0.00 C ATOM 946 O CYS A 62 3.842 -1.426 -5.192 1.00 0.00 O ATOM 947 CB CYS A 62 1.903 -1.049 -2.508 1.00 0.00 C ATOM 948 SG CYS A 62 0.419 -2.096 -2.641 1.00 0.00 S ATOM 0 H CYS A 62 0.478 0.648 -3.647 1.00 0.00 H new ATOM 0 HA CYS A 62 3.253 0.228 -3.486 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.740 -1.683 -2.214 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.743 -0.336 -1.699 1.00 0.00 H new ATOM 0 HG CYS A 62 0.761 -3.347 -2.549 1.00 0.00 H new ATOM 954 N LEU A 63 1.660 -1.393 -5.836 1.00 0.00 N ATOM 955 CA LEU A 63 1.771 -2.150 -7.065 1.00 0.00 C ATOM 956 C LEU A 63 2.522 -1.366 -8.115 1.00 0.00 C ATOM 957 O LEU A 63 3.367 -1.927 -8.811 1.00 0.00 O ATOM 958 CB LEU A 63 0.406 -2.631 -7.608 1.00 0.00 C ATOM 959 CG LEU A 63 -0.182 -3.838 -6.834 1.00 0.00 C ATOM 960 CD1 LEU A 63 -1.659 -4.080 -7.192 1.00 0.00 C ATOM 961 CD2 LEU A 63 0.650 -5.119 -7.043 1.00 0.00 C ATOM 0 H LEU A 63 0.706 -1.078 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 63 2.339 -3.048 -6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.303 -1.804 -7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.518 -2.903 -8.657 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.132 -3.583 -5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.035 -4.934 -6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.244 -3.195 -6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.746 -4.282 -8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.202 -5.939 -6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.669 -5.372 -8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.668 -4.953 -6.691 1.00 0.00 H new ATOM 973 N GLN A 64 2.268 -0.025 -8.196 1.00 0.00 N ATOM 974 CA GLN A 64 2.904 0.904 -9.118 1.00 0.00 C ATOM 975 C GLN A 64 4.364 1.094 -8.779 1.00 0.00 C ATOM 976 O GLN A 64 5.198 1.304 -9.659 1.00 0.00 O ATOM 977 CB GLN A 64 2.188 2.272 -9.216 1.00 0.00 C ATOM 978 CG GLN A 64 0.894 2.206 -10.058 1.00 0.00 C ATOM 979 CD GLN A 64 0.142 3.545 -10.010 1.00 0.00 C ATOM 980 OE1 GLN A 64 -0.715 3.752 -9.143 1.00 0.00 O ATOM 981 NE2 GLN A 64 0.479 4.462 -10.969 1.00 0.00 N ATOM 0 H GLN A 64 1.587 0.432 -7.590 1.00 0.00 H new ATOM 0 HA GLN A 64 2.822 0.444 -10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.947 2.625 -8.213 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.867 3.003 -9.656 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.139 1.958 -11.091 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.251 1.409 -9.683 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.194 4.237 -11.661 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.015 5.370 -10.992 1.00 0.00 H new ATOM 990 N ALA A 65 4.681 0.955 -7.465 1.00 0.00 N ATOM 991 CA ALA A 65 5.991 1.076 -6.856 1.00 0.00 C ATOM 992 C ALA A 65 6.898 -0.044 -7.299 1.00 0.00 C ATOM 993 O ALA A 65 8.087 0.159 -7.539 1.00 0.00 O ATOM 994 CB ALA A 65 5.939 1.189 -5.324 1.00 0.00 C ATOM 0 H ALA A 65 3.963 0.741 -6.773 1.00 0.00 H new ATOM 0 HA ALA A 65 6.411 2.018 -7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.952 1.277 -4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.363 2.071 -5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.465 0.299 -4.909 1.00 0.00 H new ATOM 1000 N GLY A 66 6.304 -1.253 -7.424 1.00 0.00 N ATOM 1001 CA GLY A 66 6.946 -2.442 -7.941 1.00 0.00 C ATOM 1002 C GLY A 66 6.947 -3.553 -6.942 1.00 0.00 C ATOM 1003 O GLY A 66 7.778 -4.455 -7.038 1.00 0.00 O ATOM 0 H GLY A 66 5.334 -1.413 -7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.433 -2.768 -8.846 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.972 -2.207 -8.224 1.00 0.00 H new ATOM 1007 N MET A 67 5.988 -3.541 -5.970 1.00 0.00 N ATOM 1008 CA MET A 67 5.872 -4.523 -4.894 1.00 0.00 C ATOM 1009 C MET A 67 5.480 -5.866 -5.452 1.00 0.00 C ATOM 1010 O MET A 67 4.760 -5.933 -6.448 1.00 0.00 O ATOM 1011 CB MET A 67 4.837 -4.148 -3.814 1.00 0.00 C ATOM 1012 CG MET A 67 5.310 -3.041 -2.851 1.00 0.00 C ATOM 1013 SD MET A 67 6.390 -3.685 -1.529 1.00 0.00 S ATOM 1014 CE MET A 67 5.202 -4.545 -0.456 1.00 0.00 C ATOM 0 H MET A 67 5.265 -2.823 -5.929 1.00 0.00 H new ATOM 0 HA MET A 67 6.855 -4.550 -4.425 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.919 -3.822 -4.303 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.592 -5.039 -3.235 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.846 -2.277 -3.415 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.442 -2.557 -2.404 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.654 -4.720 0.520 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.309 -3.932 -0.338 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.930 -5.500 -0.906 1.00 0.00 H new ATOM 1024 N ASN A 68 5.955 -6.970 -4.822 1.00 0.00 N ATOM 1025 CA ASN A 68 5.609 -8.281 -5.311 1.00 0.00 C ATOM 1026 C ASN A 68 5.947 -9.189 -4.183 1.00 0.00 C ATOM 1027 O ASN A 68 7.067 -9.196 -3.692 1.00 0.00 O ATOM 1028 CB ASN A 68 6.361 -8.736 -6.603 1.00 0.00 C ATOM 1029 CG ASN A 68 5.518 -9.605 -7.566 1.00 0.00 C ATOM 1030 OD1 ASN A 68 5.674 -9.488 -8.788 1.00 0.00 O ATOM 1031 ND2 ASN A 68 4.630 -10.481 -7.007 1.00 0.00 N ATOM 0 H ASN A 68 6.559 -6.958 -4.000 1.00 0.00 H new ATOM 0 HA ASN A 68 4.561 -8.290 -5.610 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.704 -7.851 -7.139 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.249 -9.296 -6.312 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.057 -11.077 -7.604 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.540 -10.538 -5.993 1.00 0.00 H new ATOM 1038 N LEU A 69 4.965 -10.021 -3.781 1.00 0.00 N ATOM 1039 CA LEU A 69 4.991 -10.943 -2.662 1.00 0.00 C ATOM 1040 C LEU A 69 5.528 -12.287 -3.132 1.00 0.00 C ATOM 1041 O LEU A 69 5.243 -13.354 -2.592 1.00 0.00 O ATOM 1042 CB LEU A 69 3.567 -10.920 -2.044 1.00 0.00 C ATOM 1043 CG LEU A 69 3.108 -11.959 -0.996 1.00 0.00 C ATOM 1044 CD1 LEU A 69 3.890 -11.849 0.320 1.00 0.00 C ATOM 1045 CD2 LEU A 69 1.587 -11.828 -0.776 1.00 0.00 C ATOM 0 H LEU A 69 4.074 -10.057 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 69 5.676 -10.669 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.439 -9.938 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.864 -10.981 -2.875 1.00 0.00 H new ATOM 0 HG LEU A 69 3.324 -12.955 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.529 -12.601 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.950 -12.012 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.747 -10.856 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.262 -12.560 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.356 -10.825 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.067 -12.006 -1.717 1.00 0.00 H new ATOM 1057 N GLU A 70 6.383 -12.198 -4.171 1.00 0.00 N ATOM 1058 CA GLU A 70 7.139 -13.213 -4.840 1.00 0.00 C ATOM 1059 C GLU A 70 8.192 -12.383 -5.533 1.00 0.00 C ATOM 1060 O GLU A 70 8.290 -12.341 -6.759 1.00 0.00 O ATOM 1061 CB GLU A 70 6.373 -14.062 -5.881 1.00 0.00 C ATOM 1062 CG GLU A 70 5.197 -14.885 -5.314 1.00 0.00 C ATOM 1063 CD GLU A 70 4.583 -15.771 -6.402 1.00 0.00 C ATOM 1064 OE1 GLU A 70 4.007 -15.210 -7.372 1.00 0.00 O ATOM 1065 OE2 GLU A 70 4.680 -17.022 -6.274 1.00 0.00 O ATOM 0 H GLU A 70 6.564 -11.288 -4.594 1.00 0.00 H new ATOM 0 HA GLU A 70 7.485 -13.967 -4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.992 -13.399 -6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.076 -14.743 -6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.545 -15.504 -4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.437 -14.214 -4.912 1.00 0.00 H new ATOM 1072 N ALA A 71 8.996 -11.677 -4.708 1.00 0.00 N ATOM 1073 CA ALA A 71 10.044 -10.766 -5.121 1.00 0.00 C ATOM 1074 C ALA A 71 11.323 -11.220 -4.479 1.00 0.00 C ATOM 1075 O ALA A 71 11.327 -12.093 -3.610 1.00 0.00 O ATOM 1076 CB ALA A 71 9.771 -9.315 -4.682 1.00 0.00 C ATOM 0 H ALA A 71 8.915 -11.742 -3.693 1.00 0.00 H new ATOM 0 HA ALA A 71 10.097 -10.778 -6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.587 -8.674 -5.017 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.835 -8.971 -5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.698 -9.271 -3.595 1.00 0.00 H new ATOM 1082 N ARG A 72 12.448 -10.605 -4.916 1.00 0.00 N ATOM 1083 CA ARG A 72 13.782 -10.878 -4.438 1.00 0.00 C ATOM 1084 C ARG A 72 14.477 -9.505 -4.368 1.00 0.00 C ATOM 1085 O ARG A 72 14.891 -9.113 -3.244 1.00 0.00 O ATOM 1086 CB ARG A 72 14.547 -11.852 -5.367 1.00 0.00 C ATOM 1087 CG ARG A 72 15.952 -12.270 -4.878 1.00 0.00 C ATOM 1088 CD ARG A 72 16.643 -13.321 -5.768 1.00 0.00 C ATOM 1089 NE ARG A 72 16.930 -12.723 -7.124 1.00 0.00 N ATOM 1090 CZ ARG A 72 17.710 -13.360 -8.055 1.00 0.00 C ATOM 1091 NH1 ARG A 72 18.615 -14.320 -7.707 1.00 0.00 N ATOM 1092 NH2 ARG A 72 17.582 -13.013 -9.371 1.00 0.00 N ATOM 1093 OXT ARG A 72 14.600 -8.837 -5.429 1.00 0.00 O ATOM 0 H ARG A 72 12.427 -9.883 -5.637 1.00 0.00 H new ATOM 0 HA ARG A 72 13.759 -11.373 -3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.944 -12.751 -5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.646 -11.389 -6.349 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.584 -11.384 -4.824 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.870 -12.665 -3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 72 17.570 -13.654 -5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.006 -14.199 -5.874 1.00 0.00 H new ATOM 0 HE ARG A 72 16.530 -11.814 -7.356 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.727 -14.584 -6.728 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.179 -14.774 -8.426 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.915 -12.292 -9.646 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.153 -13.475 -10.078 1.00 0.00 H new TER 1107 ARG A 72 HETATM 1108 ZN ZN A 73 3.126 2.669 3.978 1.00 0.00 ZN HETATM 1109 ZN ZN A 74 -8.726 6.475 -3.772 1.00 0.00 ZN