USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 497 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 50 THR OG1 : rot -92:sc= 0.839 USER MOD Set 1.2: A 51 GLN : amide:sc= -2.18 K(o=-1.3,f=-7.1!) USER MOD Single : A 1 GLU N :NH3+ 175:sc= -3.47 (180deg=-3.55) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -173:sc= -1.67 (180deg=-1.75) USER MOD Single : A 11 HIS : no HD1:sc= -0.482 X(o=-0.48,f=-0.036) USER MOD Single : A 12 THR OG1 : rot 164:sc= -11.9! USER MOD Single : A 14 ASN : amide:sc= -0.257 K(o=-0.26,f=-0.88) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -170:sc= -1.11 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 149:sc= -0.153 (180deg=-0.73) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.135) USER MOD Single : A 25 THR OG1 : rot 148:sc= -2.34! USER MOD Single : A 29 TYR OH : rot -140:sc= -1.85 USER MOD Single : A 31 ASN : amide:sc= -1.78 K(o=-1.8,f=-7.7!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.618 F(o=-1.3!,f=-0.62) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.712! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 41:sc= 0.0974 USER MOD Single : A 66 ASN : amide:sc= -0.397 K(o=-0.4,f=-0.97!) USER MOD Single : A 70 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 12.013 -4.346 -1.015 1.00 0.00 N ATOM 2 CA GLU A 1 11.325 -4.784 0.232 1.00 0.00 C ATOM 3 C GLU A 1 10.832 -6.217 0.069 1.00 0.00 C ATOM 4 O GLU A 1 10.254 -6.575 -0.938 1.00 0.00 O ATOM 5 CB GLU A 1 10.123 -3.881 0.509 1.00 0.00 C ATOM 6 CG GLU A 1 9.703 -4.031 1.975 1.00 0.00 C ATOM 7 CD GLU A 1 9.987 -2.730 2.730 1.00 0.00 C ATOM 8 OE1 GLU A 1 10.322 -1.751 2.083 1.00 0.00 O ATOM 9 OE2 GLU A 1 9.862 -2.734 3.944 1.00 0.00 O ATOM 0 H1 GLU A 1 12.273 -3.342 -0.934 1.00 0.00 H new ATOM 0 H2 GLU A 1 12.871 -4.916 -1.157 1.00 0.00 H new ATOM 0 H3 GLU A 1 11.375 -4.473 -1.826 1.00 0.00 H new ATOM 0 HA GLU A 1 12.030 -4.724 1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 1 10.377 -2.843 0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 1 9.295 -4.147 -0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 1 8.642 -4.274 2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 1 10.246 -4.856 2.436 1.00 0.00 H new ATOM 18 N THR A 2 11.037 -7.037 1.057 1.00 0.00 N ATOM 19 CA THR A 2 10.558 -8.440 0.963 1.00 0.00 C ATOM 20 C THR A 2 9.034 -8.426 0.897 1.00 0.00 C ATOM 21 O THR A 2 8.404 -7.436 1.206 1.00 0.00 O ATOM 22 CB THR A 2 11.001 -9.213 2.203 1.00 0.00 C ATOM 23 OG1 THR A 2 12.308 -8.800 2.575 1.00 0.00 O ATOM 24 CG2 THR A 2 11.002 -10.711 1.898 1.00 0.00 C ATOM 0 H THR A 2 11.515 -6.797 1.925 1.00 0.00 H new ATOM 0 HA THR A 2 10.971 -8.918 0.074 1.00 0.00 H new ATOM 0 HB THR A 2 10.311 -9.013 3.023 1.00 0.00 H new ATOM 0 HG1 THR A 2 12.593 -9.294 3.372 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.318 -11.262 2.783 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.998 -11.025 1.614 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.691 -10.915 1.078 1.00 0.00 H new ATOM 32 N VAL A 3 8.430 -9.509 0.508 1.00 0.00 N ATOM 33 CA VAL A 3 6.945 -9.534 0.445 1.00 0.00 C ATOM 34 C VAL A 3 6.401 -9.841 1.843 1.00 0.00 C ATOM 35 O VAL A 3 5.357 -9.362 2.236 1.00 0.00 O ATOM 36 CB VAL A 3 6.491 -10.609 -0.547 1.00 0.00 C ATOM 37 CG1 VAL A 3 6.631 -11.995 0.088 1.00 0.00 C ATOM 38 CG2 VAL A 3 5.028 -10.367 -0.926 1.00 0.00 C ATOM 0 H VAL A 3 8.896 -10.374 0.232 1.00 0.00 H new ATOM 0 HA VAL A 3 6.566 -8.568 0.110 1.00 0.00 H new ATOM 0 HB VAL A 3 7.114 -10.559 -1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.306 -12.755 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.673 -12.169 0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.013 -12.049 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.704 -11.132 -1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.408 -10.413 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.929 -9.384 -1.385 1.00 0.00 H new ATOM 48 N GLU A 4 7.115 -10.631 2.600 1.00 0.00 N ATOM 49 CA GLU A 4 6.658 -10.971 3.975 1.00 0.00 C ATOM 50 C GLU A 4 6.683 -9.711 4.840 1.00 0.00 C ATOM 51 O GLU A 4 5.797 -9.476 5.639 1.00 0.00 O ATOM 52 CB GLU A 4 7.608 -12.012 4.567 1.00 0.00 C ATOM 53 CG GLU A 4 7.750 -13.187 3.596 1.00 0.00 C ATOM 54 CD GLU A 4 6.825 -14.326 4.028 1.00 0.00 C ATOM 55 OE1 GLU A 4 6.529 -14.409 5.208 1.00 0.00 O ATOM 56 OE2 GLU A 4 6.428 -15.097 3.170 1.00 0.00 O ATOM 0 H GLU A 4 7.999 -11.057 2.322 1.00 0.00 H new ATOM 0 HA GLU A 4 5.644 -11.370 3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.583 -11.563 4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.227 -12.363 5.526 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.501 -12.867 2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.784 -13.532 3.576 1.00 0.00 H new ATOM 63 N SER A 5 7.691 -8.897 4.684 1.00 0.00 N ATOM 64 CA SER A 5 7.779 -7.651 5.493 1.00 0.00 C ATOM 65 C SER A 5 6.878 -6.586 4.872 1.00 0.00 C ATOM 66 O SER A 5 6.088 -5.956 5.548 1.00 0.00 O ATOM 67 CB SER A 5 9.224 -7.153 5.510 1.00 0.00 C ATOM 68 OG SER A 5 9.276 -5.883 6.148 1.00 0.00 O ATOM 0 H SER A 5 8.459 -9.043 4.029 1.00 0.00 H new ATOM 0 HA SER A 5 7.457 -7.853 6.514 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.860 -7.864 6.038 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.607 -7.077 4.492 1.00 0.00 H new ATOM 0 HG SER A 5 10.202 -5.562 6.162 1.00 0.00 H new ATOM 74 N CYS A 6 6.978 -6.383 3.589 1.00 0.00 N ATOM 75 CA CYS A 6 6.109 -5.366 2.940 1.00 0.00 C ATOM 76 C CYS A 6 4.663 -5.657 3.343 1.00 0.00 C ATOM 77 O CYS A 6 3.819 -4.784 3.354 1.00 0.00 O ATOM 78 CB CYS A 6 6.272 -5.444 1.413 1.00 0.00 C ATOM 79 SG CYS A 6 4.836 -4.707 0.584 1.00 0.00 S ATOM 0 H CYS A 6 7.619 -6.874 2.966 1.00 0.00 H new ATOM 0 HA CYS A 6 6.386 -4.361 3.258 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.181 -4.923 1.111 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.383 -6.484 1.106 1.00 0.00 H new ATOM 84 N LEU A 7 4.378 -6.884 3.685 1.00 0.00 N ATOM 85 CA LEU A 7 2.995 -7.237 4.102 1.00 0.00 C ATOM 86 C LEU A 7 2.899 -7.130 5.622 1.00 0.00 C ATOM 87 O LEU A 7 1.863 -6.806 6.169 1.00 0.00 O ATOM 88 CB LEU A 7 2.674 -8.658 3.655 1.00 0.00 C ATOM 89 CG LEU A 7 2.756 -8.736 2.129 1.00 0.00 C ATOM 90 CD1 LEU A 7 2.787 -10.201 1.691 1.00 0.00 C ATOM 91 CD2 LEU A 7 1.530 -8.050 1.521 1.00 0.00 C ATOM 0 H LEU A 7 5.045 -7.656 3.693 1.00 0.00 H new ATOM 0 HA LEU A 7 2.279 -6.556 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.375 -9.361 4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.677 -8.942 3.993 1.00 0.00 H new ATOM 0 HG LEU A 7 3.663 -8.237 1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.845 -10.255 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.657 -10.692 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.880 -10.702 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.585 -8.104 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.625 -8.552 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.506 -7.006 1.832 1.00 0.00 H new ATOM 103 N ALA A 8 3.986 -7.365 6.307 1.00 0.00 N ATOM 104 CA ALA A 8 3.973 -7.236 7.792 1.00 0.00 C ATOM 105 C ALA A 8 3.677 -5.772 8.131 1.00 0.00 C ATOM 106 O ALA A 8 3.351 -5.426 9.250 1.00 0.00 O ATOM 107 CB ALA A 8 5.340 -7.631 8.356 1.00 0.00 C ATOM 0 H ALA A 8 4.881 -7.640 5.903 1.00 0.00 H new ATOM 0 HA ALA A 8 3.216 -7.889 8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.327 -7.536 9.442 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.561 -8.663 8.085 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.107 -6.976 7.943 1.00 0.00 H new ATOM 113 N LYS A 9 3.788 -4.924 7.142 1.00 0.00 N ATOM 114 CA LYS A 9 3.515 -3.471 7.301 1.00 0.00 C ATOM 115 C LYS A 9 2.204 -3.275 8.093 1.00 0.00 C ATOM 116 O LYS A 9 1.576 -4.243 8.470 1.00 0.00 O ATOM 117 CB LYS A 9 3.412 -2.921 5.873 1.00 0.00 C ATOM 118 CG LYS A 9 4.796 -3.016 5.223 1.00 0.00 C ATOM 119 CD LYS A 9 4.789 -2.297 3.878 1.00 0.00 C ATOM 120 CE LYS A 9 5.929 -1.278 3.841 1.00 0.00 C ATOM 121 NZ LYS A 9 7.217 -1.967 4.136 1.00 0.00 N ATOM 0 H LYS A 9 4.067 -5.193 6.198 1.00 0.00 H new ATOM 0 HA LYS A 9 4.293 -2.949 7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.682 -3.491 5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.069 -1.886 5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.546 -2.573 5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.071 -4.062 5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.904 -3.017 3.068 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.833 -1.796 3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.974 -0.802 2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.750 -0.489 4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.975 -1.261 4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.130 -2.500 5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.446 -2.621 3.361 1.00 0.00 H new ATOM 135 N PRO A 10 1.817 -2.038 8.337 1.00 0.00 N ATOM 136 CA PRO A 10 0.588 -1.747 9.098 1.00 0.00 C ATOM 137 C PRO A 10 -0.640 -2.075 8.250 1.00 0.00 C ATOM 138 O PRO A 10 -1.765 -1.994 8.702 1.00 0.00 O ATOM 139 CB PRO A 10 0.697 -0.255 9.425 1.00 0.00 C ATOM 140 CG PRO A 10 1.686 0.343 8.401 1.00 0.00 C ATOM 141 CD PRO A 10 2.529 -0.832 7.866 1.00 0.00 C ATOM 0 HA PRO A 10 0.481 -2.342 10.005 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.276 0.230 9.354 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.055 -0.106 10.444 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.152 0.838 7.590 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.322 1.094 8.869 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.597 -0.810 6.778 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.549 -0.797 8.250 1.00 0.00 H new ATOM 149 N HIS A 11 -0.417 -2.487 7.034 1.00 0.00 N ATOM 150 CA HIS A 11 -1.534 -2.884 6.142 1.00 0.00 C ATOM 151 C HIS A 11 -2.345 -1.696 5.645 1.00 0.00 C ATOM 152 O HIS A 11 -3.421 -1.438 6.139 1.00 0.00 O ATOM 153 CB HIS A 11 -2.480 -3.828 6.877 1.00 0.00 C ATOM 154 CG HIS A 11 -2.360 -5.206 6.290 1.00 0.00 C ATOM 155 ND1 HIS A 11 -3.464 -5.928 5.867 1.00 0.00 N ATOM 156 CD2 HIS A 11 -1.270 -6.007 6.042 1.00 0.00 C ATOM 157 CE1 HIS A 11 -3.021 -7.106 5.391 1.00 0.00 C ATOM 158 NE2 HIS A 11 -1.692 -7.207 5.475 1.00 0.00 N ATOM 0 H HIS A 11 0.510 -2.566 6.616 1.00 0.00 H new ATOM 0 HA HIS A 11 -1.078 -3.373 5.281 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.237 -3.850 7.939 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.507 -3.472 6.792 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.244 -5.746 6.254 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -3.663 -7.877 4.990 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -1.111 -7.994 5.186 1.00 0.00 H new ATOM 166 N THR A 12 -1.874 -1.029 4.625 1.00 0.00 N ATOM 167 CA THR A 12 -2.661 0.084 4.014 1.00 0.00 C ATOM 168 C THR A 12 -2.444 1.438 4.699 1.00 0.00 C ATOM 169 O THR A 12 -2.065 2.391 4.051 1.00 0.00 O ATOM 170 CB THR A 12 -4.152 -0.321 4.010 1.00 0.00 C ATOM 171 OG1 THR A 12 -4.718 -0.105 2.735 1.00 0.00 O ATOM 172 CG2 THR A 12 -4.958 0.460 5.057 1.00 0.00 C ATOM 0 H THR A 12 -0.971 -1.208 4.185 1.00 0.00 H new ATOM 0 HA THR A 12 -2.306 0.232 2.994 1.00 0.00 H new ATOM 0 HB THR A 12 -4.197 -1.381 4.261 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.566 -0.592 2.667 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.001 0.146 5.022 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.553 0.263 6.049 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.893 1.527 4.844 1.00 0.00 H new ATOM 180 N GLU A 13 -2.703 1.565 5.969 1.00 0.00 N ATOM 181 CA GLU A 13 -2.524 2.904 6.599 1.00 0.00 C ATOM 182 C GLU A 13 -1.201 3.509 6.137 1.00 0.00 C ATOM 183 O GLU A 13 -0.140 3.188 6.634 1.00 0.00 O ATOM 184 CB GLU A 13 -2.536 2.788 8.122 1.00 0.00 C ATOM 185 CG GLU A 13 -2.877 4.152 8.728 1.00 0.00 C ATOM 186 CD GLU A 13 -3.769 3.955 9.955 1.00 0.00 C ATOM 187 OE1 GLU A 13 -3.891 2.825 10.397 1.00 0.00 O ATOM 188 OE2 GLU A 13 -4.315 4.936 10.431 1.00 0.00 O ATOM 0 H GLU A 13 -3.024 0.820 6.587 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.349 3.549 6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.268 2.044 8.436 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.564 2.450 8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.963 4.676 9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.386 4.773 7.991 1.00 0.00 H new ATOM 195 N ASN A 14 -1.272 4.378 5.171 1.00 0.00 N ATOM 196 CA ASN A 14 -0.048 5.019 4.626 1.00 0.00 C ATOM 197 C ASN A 14 -0.423 5.674 3.300 1.00 0.00 C ATOM 198 O ASN A 14 -1.572 5.997 3.068 1.00 0.00 O ATOM 199 CB ASN A 14 1.026 3.955 4.386 1.00 0.00 C ATOM 200 CG ASN A 14 2.221 4.218 5.305 1.00 0.00 C ATOM 201 OD1 ASN A 14 2.641 5.346 5.467 1.00 0.00 O ATOM 202 ND2 ASN A 14 2.789 3.217 5.920 1.00 0.00 N ATOM 0 H ASN A 14 -2.142 4.676 4.729 1.00 0.00 H new ATOM 0 HA ASN A 14 0.343 5.759 5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.618 2.962 4.577 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.344 3.973 3.344 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.585 3.382 6.536 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.437 2.269 5.785 1.00 0.00 H new ATOM 209 N SER A 15 0.513 5.869 2.420 1.00 0.00 N ATOM 210 CA SER A 15 0.156 6.492 1.124 1.00 0.00 C ATOM 211 C SER A 15 1.377 6.565 0.220 1.00 0.00 C ATOM 212 O SER A 15 2.418 6.008 0.508 1.00 0.00 O ATOM 213 CB SER A 15 -0.369 7.903 1.374 1.00 0.00 C ATOM 214 OG SER A 15 0.505 8.576 2.271 1.00 0.00 O ATOM 0 H SER A 15 1.497 5.627 2.540 1.00 0.00 H new ATOM 0 HA SER A 15 -0.610 5.888 0.638 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.436 8.450 0.434 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.375 7.861 1.791 1.00 0.00 H new ATOM 0 HG SER A 15 0.172 9.483 2.433 1.00 0.00 H new ATOM 220 N PHE A 16 1.248 7.247 -0.878 1.00 0.00 N ATOM 221 CA PHE A 16 2.384 7.363 -1.819 1.00 0.00 C ATOM 222 C PHE A 16 1.971 8.280 -2.978 1.00 0.00 C ATOM 223 O PHE A 16 0.815 8.329 -3.352 1.00 0.00 O ATOM 224 CB PHE A 16 2.730 5.970 -2.349 1.00 0.00 C ATOM 225 CG PHE A 16 4.039 6.032 -3.086 1.00 0.00 C ATOM 226 CD1 PHE A 16 4.065 6.492 -4.401 1.00 0.00 C ATOM 227 CD2 PHE A 16 5.226 5.640 -2.456 1.00 0.00 C ATOM 228 CE1 PHE A 16 5.275 6.562 -5.096 1.00 0.00 C ATOM 229 CE2 PHE A 16 6.441 5.710 -3.148 1.00 0.00 C ATOM 230 CZ PHE A 16 6.465 6.172 -4.470 1.00 0.00 C ATOM 0 H PHE A 16 0.397 7.732 -1.164 1.00 0.00 H new ATOM 0 HA PHE A 16 3.256 7.784 -1.318 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.797 5.260 -1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.942 5.614 -3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.148 6.795 -4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.205 5.284 -1.437 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.292 6.917 -6.116 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.358 5.408 -2.663 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.401 6.227 -5.006 1.00 0.00 H new ATOM 240 N THR A 17 2.890 9.012 -3.551 1.00 0.00 N ATOM 241 CA THR A 17 2.507 9.916 -4.679 1.00 0.00 C ATOM 242 C THR A 17 2.974 9.319 -6.008 1.00 0.00 C ATOM 243 O THR A 17 3.757 8.397 -6.045 1.00 0.00 O ATOM 244 CB THR A 17 3.113 11.310 -4.477 1.00 0.00 C ATOM 245 OG1 THR A 17 3.497 11.841 -5.737 1.00 0.00 O ATOM 246 CG2 THR A 17 4.336 11.226 -3.561 1.00 0.00 C ATOM 0 H THR A 17 3.877 9.025 -3.292 1.00 0.00 H new ATOM 0 HA THR A 17 1.422 10.013 -4.699 1.00 0.00 H new ATOM 0 HB THR A 17 2.370 11.960 -4.014 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.024 12.656 -5.602 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.758 12.222 -3.425 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.039 10.823 -2.593 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.084 10.574 -4.012 1.00 0.00 H new ATOM 254 N ASN A 18 2.468 9.815 -7.104 1.00 0.00 N ATOM 255 CA ASN A 18 2.851 9.236 -8.422 1.00 0.00 C ATOM 256 C ASN A 18 2.108 7.904 -8.574 1.00 0.00 C ATOM 257 O ASN A 18 2.457 7.059 -9.375 1.00 0.00 O ATOM 258 CB ASN A 18 4.363 8.997 -8.465 1.00 0.00 C ATOM 259 CG ASN A 18 4.878 9.254 -9.883 1.00 0.00 C ATOM 260 OD1 ASN A 18 4.966 8.345 -10.684 1.00 0.00 O ATOM 261 ND2 ASN A 18 5.223 10.464 -10.230 1.00 0.00 N ATOM 0 H ASN A 18 1.809 10.593 -7.144 1.00 0.00 H new ATOM 0 HA ASN A 18 2.588 9.916 -9.232 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.867 9.656 -7.758 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.589 7.974 -8.164 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.566 10.646 -11.173 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.149 11.228 -9.558 1.00 0.00 H new ATOM 268 N VAL A 19 1.082 7.724 -7.782 1.00 0.00 N ATOM 269 CA VAL A 19 0.276 6.471 -7.811 1.00 0.00 C ATOM 270 C VAL A 19 0.085 5.963 -9.241 1.00 0.00 C ATOM 271 O VAL A 19 0.078 6.720 -10.193 1.00 0.00 O ATOM 272 CB VAL A 19 -1.102 6.763 -7.211 1.00 0.00 C ATOM 273 CG1 VAL A 19 -1.804 5.449 -6.874 1.00 0.00 C ATOM 274 CG2 VAL A 19 -0.943 7.597 -5.937 1.00 0.00 C ATOM 0 H VAL A 19 0.763 8.412 -7.100 1.00 0.00 H new ATOM 0 HA VAL A 19 0.804 5.708 -7.240 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.698 7.318 -7.935 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.785 5.659 -6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.923 4.857 -7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.206 4.892 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.925 7.803 -5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.343 7.045 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.447 8.537 -6.177 1.00 0.00 H new ATOM 284 N TRP A 20 -0.104 4.675 -9.387 1.00 0.00 N ATOM 285 CA TRP A 20 -0.338 4.093 -10.738 1.00 0.00 C ATOM 286 C TRP A 20 -1.518 3.116 -10.634 1.00 0.00 C ATOM 287 O TRP A 20 -1.985 2.808 -9.556 1.00 0.00 O ATOM 288 CB TRP A 20 0.945 3.379 -11.243 1.00 0.00 C ATOM 289 CG TRP A 20 0.792 1.881 -11.218 1.00 0.00 C ATOM 290 CD1 TRP A 20 0.119 1.145 -12.137 1.00 0.00 C ATOM 291 CD2 TRP A 20 1.324 0.933 -10.253 1.00 0.00 C ATOM 292 NE1 TRP A 20 0.173 -0.187 -11.773 1.00 0.00 N ATOM 293 CE2 TRP A 20 0.915 -0.371 -10.625 1.00 0.00 C ATOM 294 CE3 TRP A 20 2.107 1.078 -9.097 1.00 0.00 C ATOM 295 CZ2 TRP A 20 1.272 -1.490 -9.876 1.00 0.00 C ATOM 296 CZ3 TRP A 20 2.470 -0.046 -8.341 1.00 0.00 C ATOM 297 CH2 TRP A 20 2.052 -1.328 -8.731 1.00 0.00 C ATOM 0 H TRP A 20 -0.106 4.001 -8.622 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.576 4.875 -11.458 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.168 3.706 -12.259 1.00 0.00 H new ATOM 0 HB3 TRP A 20 1.792 3.669 -10.622 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.379 1.537 -13.012 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -0.280 -0.941 -12.290 1.00 0.00 H new ATOM 0 HE3 TRP A 20 2.432 2.061 -8.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 0.948 -2.474 -10.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 3.074 0.075 -7.454 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.335 -2.190 -8.144 1.00 0.00 H new ATOM 308 N LYS A 21 -1.985 2.613 -11.738 1.00 0.00 N ATOM 309 CA LYS A 21 -3.112 1.642 -11.693 1.00 0.00 C ATOM 310 C LYS A 21 -2.876 0.567 -12.748 1.00 0.00 C ATOM 311 O LYS A 21 -2.629 0.859 -13.900 1.00 0.00 O ATOM 312 CB LYS A 21 -4.435 2.350 -11.978 1.00 0.00 C ATOM 313 CG LYS A 21 -5.569 1.327 -11.917 1.00 0.00 C ATOM 314 CD LYS A 21 -6.059 1.019 -13.333 1.00 0.00 C ATOM 315 CE LYS A 21 -7.588 1.068 -13.368 1.00 0.00 C ATOM 316 NZ LYS A 21 -8.049 2.448 -13.045 1.00 0.00 N ATOM 0 H LYS A 21 -1.636 2.831 -12.671 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.162 1.193 -10.701 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.603 3.142 -11.249 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.406 2.822 -12.960 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.222 0.413 -11.434 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.390 1.714 -11.314 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.646 1.741 -14.037 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.709 0.035 -13.644 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.949 0.774 -14.353 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.002 0.358 -12.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.940 2.642 -13.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.202 2.532 -12.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.327 3.134 -13.345 1.00 0.00 H new ATOM 330 N ASP A 22 -2.938 -0.674 -12.364 1.00 0.00 N ATOM 331 CA ASP A 22 -2.704 -1.758 -13.343 1.00 0.00 C ATOM 332 C ASP A 22 -4.017 -2.471 -13.648 1.00 0.00 C ATOM 333 O ASP A 22 -4.753 -2.857 -12.752 1.00 0.00 O ATOM 334 CB ASP A 22 -1.714 -2.757 -12.746 1.00 0.00 C ATOM 335 CG ASP A 22 -0.510 -2.907 -13.678 1.00 0.00 C ATOM 336 OD1 ASP A 22 0.021 -1.892 -14.099 1.00 0.00 O ATOM 337 OD2 ASP A 22 -0.140 -4.035 -13.958 1.00 0.00 O ATOM 0 H ASP A 22 -3.141 -0.982 -11.413 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.302 -1.338 -14.265 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.386 -2.416 -11.764 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.198 -3.723 -12.603 1.00 0.00 H new ATOM 342 N ASP A 23 -4.306 -2.670 -14.906 1.00 0.00 N ATOM 343 CA ASP A 23 -5.551 -3.390 -15.276 1.00 0.00 C ATOM 344 C ASP A 23 -5.301 -4.876 -15.036 1.00 0.00 C ATOM 345 O ASP A 23 -6.212 -5.655 -14.839 1.00 0.00 O ATOM 346 CB ASP A 23 -5.874 -3.150 -16.753 1.00 0.00 C ATOM 347 CG ASP A 23 -7.056 -4.029 -17.166 1.00 0.00 C ATOM 348 OD1 ASP A 23 -7.836 -4.385 -16.297 1.00 0.00 O ATOM 349 OD2 ASP A 23 -7.162 -4.330 -18.343 1.00 0.00 O ATOM 0 H ASP A 23 -3.731 -2.364 -15.691 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.393 -3.036 -14.682 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.113 -2.099 -16.918 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.004 -3.379 -17.368 1.00 0.00 H new ATOM 354 N LYS A 24 -4.051 -5.261 -15.023 1.00 0.00 N ATOM 355 CA LYS A 24 -3.696 -6.678 -14.764 1.00 0.00 C ATOM 356 C LYS A 24 -3.830 -6.914 -13.268 1.00 0.00 C ATOM 357 O LYS A 24 -4.595 -7.743 -12.816 1.00 0.00 O ATOM 358 CB LYS A 24 -2.248 -6.913 -15.185 1.00 0.00 C ATOM 359 CG LYS A 24 -2.196 -7.271 -16.672 1.00 0.00 C ATOM 360 CD LYS A 24 -0.750 -7.194 -17.166 1.00 0.00 C ATOM 361 CE LYS A 24 -0.717 -7.388 -18.684 1.00 0.00 C ATOM 362 NZ LYS A 24 -1.081 -8.796 -19.011 1.00 0.00 N ATOM 0 H LYS A 24 -3.256 -4.643 -15.183 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.345 -7.353 -15.322 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.654 -6.019 -14.995 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.812 -7.717 -14.592 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.592 -8.274 -16.829 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.824 -6.587 -17.244 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.316 -6.230 -16.903 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.147 -7.959 -16.678 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.412 -6.700 -19.165 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.276 -7.159 -19.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.881 -8.982 -20.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.523 -9.445 -18.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.094 -8.944 -18.827 1.00 0.00 H new ATOM 376 N THR A 25 -3.106 -6.155 -12.496 1.00 0.00 N ATOM 377 CA THR A 25 -3.205 -6.289 -11.024 1.00 0.00 C ATOM 378 C THR A 25 -4.659 -6.043 -10.654 1.00 0.00 C ATOM 379 O THR A 25 -5.170 -6.554 -9.677 1.00 0.00 O ATOM 380 CB THR A 25 -2.312 -5.243 -10.348 1.00 0.00 C ATOM 381 OG1 THR A 25 -2.791 -3.940 -10.653 1.00 0.00 O ATOM 382 CG2 THR A 25 -0.879 -5.394 -10.858 1.00 0.00 C ATOM 0 H THR A 25 -2.449 -5.447 -12.825 1.00 0.00 H new ATOM 0 HA THR A 25 -2.881 -7.277 -10.697 1.00 0.00 H new ATOM 0 HB THR A 25 -2.331 -5.391 -9.268 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.612 -3.341 -9.898 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.242 -4.651 -10.378 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.512 -6.393 -10.622 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.860 -5.246 -11.938 1.00 0.00 H new ATOM 390 N LEU A 26 -5.331 -5.262 -11.455 1.00 0.00 N ATOM 391 CA LEU A 26 -6.763 -4.971 -11.190 1.00 0.00 C ATOM 392 C LEU A 26 -6.889 -4.194 -9.885 1.00 0.00 C ATOM 393 O LEU A 26 -7.530 -4.635 -8.952 1.00 0.00 O ATOM 394 CB LEU A 26 -7.525 -6.290 -11.070 1.00 0.00 C ATOM 395 CG LEU A 26 -8.275 -6.564 -12.375 1.00 0.00 C ATOM 396 CD1 LEU A 26 -8.914 -7.953 -12.317 1.00 0.00 C ATOM 397 CD2 LEU A 26 -9.368 -5.509 -12.561 1.00 0.00 C ATOM 0 H LEU A 26 -4.945 -4.812 -12.285 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.176 -4.378 -12.006 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.833 -7.105 -10.858 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.227 -6.243 -10.237 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.577 -6.521 -13.211 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.448 -8.147 -13.247 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.137 -8.705 -12.181 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.613 -7.997 -11.482 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.905 -5.701 -13.490 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.064 -5.555 -11.724 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.915 -4.519 -12.602 1.00 0.00 H new ATOM 409 N ASP A 27 -6.276 -3.046 -9.796 1.00 0.00 N ATOM 410 CA ASP A 27 -6.373 -2.275 -8.525 1.00 0.00 C ATOM 411 C ASP A 27 -5.365 -1.128 -8.522 1.00 0.00 C ATOM 412 O ASP A 27 -4.427 -1.113 -9.293 1.00 0.00 O ATOM 413 CB ASP A 27 -6.053 -3.216 -7.364 1.00 0.00 C ATOM 414 CG ASP A 27 -7.241 -3.267 -6.401 1.00 0.00 C ATOM 415 OD1 ASP A 27 -8.082 -2.387 -6.482 1.00 0.00 O ATOM 416 OD2 ASP A 27 -7.289 -4.185 -5.599 1.00 0.00 O ATOM 0 H ASP A 27 -5.721 -2.614 -10.535 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.378 -1.864 -8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.835 -4.215 -7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.161 -2.872 -6.839 1.00 0.00 H new ATOM 421 N ARG A 28 -5.531 -0.178 -7.637 1.00 0.00 N ATOM 422 CA ARG A 28 -4.555 0.940 -7.571 1.00 0.00 C ATOM 423 C ARG A 28 -3.346 0.440 -6.788 1.00 0.00 C ATOM 424 O ARG A 28 -3.461 -0.456 -5.977 1.00 0.00 O ATOM 425 CB ARG A 28 -5.184 2.139 -6.855 1.00 0.00 C ATOM 426 CG ARG A 28 -4.550 3.435 -7.371 1.00 0.00 C ATOM 427 CD ARG A 28 -5.360 3.964 -8.555 1.00 0.00 C ATOM 428 NE ARG A 28 -4.685 5.163 -9.125 1.00 0.00 N ATOM 429 CZ ARG A 28 -5.115 5.685 -10.241 1.00 0.00 C ATOM 430 NH1 ARG A 28 -6.196 6.416 -10.247 1.00 0.00 N ATOM 431 NH2 ARG A 28 -4.461 5.479 -11.351 1.00 0.00 N ATOM 0 H ARG A 28 -6.296 -0.132 -6.964 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.262 1.258 -8.571 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.260 2.155 -7.027 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.035 2.052 -5.779 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.521 4.180 -6.575 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.519 3.252 -7.675 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.456 3.191 -9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.369 4.221 -8.233 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.887 5.576 -8.643 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.706 6.580 -9.379 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.531 6.824 -11.120 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.614 4.910 -11.346 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.796 5.887 -12.224 1.00 0.00 H new ATOM 445 N TYR A 29 -2.188 0.978 -7.020 1.00 0.00 N ATOM 446 CA TYR A 29 -1.005 0.477 -6.273 1.00 0.00 C ATOM 447 C TYR A 29 0.018 1.596 -6.076 1.00 0.00 C ATOM 448 O TYR A 29 0.123 2.512 -6.872 1.00 0.00 O ATOM 449 CB TYR A 29 -0.367 -0.671 -7.056 1.00 0.00 C ATOM 450 CG TYR A 29 -1.286 -1.869 -7.034 1.00 0.00 C ATOM 451 CD1 TYR A 29 -2.297 -1.993 -7.994 1.00 0.00 C ATOM 452 CD2 TYR A 29 -1.127 -2.856 -6.054 1.00 0.00 C ATOM 453 CE1 TYR A 29 -3.149 -3.105 -7.975 1.00 0.00 C ATOM 454 CE2 TYR A 29 -1.979 -3.968 -6.034 1.00 0.00 C ATOM 455 CZ TYR A 29 -2.990 -4.092 -6.995 1.00 0.00 C ATOM 456 OH TYR A 29 -3.829 -5.187 -6.976 1.00 0.00 O ATOM 0 H TYR A 29 -2.008 1.732 -7.683 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.326 0.125 -5.293 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.179 -0.363 -8.084 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.597 -0.931 -6.619 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.420 -1.231 -8.750 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.347 -2.760 -5.313 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.928 -3.201 -8.716 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.856 -4.729 -5.278 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.060 -5.406 -6.049 1.00 0.00 H new ATOM 466 N ALA A 30 0.775 1.517 -5.015 1.00 0.00 N ATOM 467 CA ALA A 30 1.802 2.561 -4.744 1.00 0.00 C ATOM 468 C ALA A 30 3.174 1.894 -4.628 1.00 0.00 C ATOM 469 O ALA A 30 3.483 1.256 -3.640 1.00 0.00 O ATOM 470 CB ALA A 30 1.467 3.279 -3.435 1.00 0.00 C ATOM 0 H ALA A 30 0.725 0.770 -4.322 1.00 0.00 H new ATOM 0 HA ALA A 30 1.815 3.286 -5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.219 4.043 -3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.486 3.747 -3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.457 2.559 -2.617 1.00 0.00 H new ATOM 476 N ASN A 31 3.997 2.029 -5.631 1.00 0.00 N ATOM 477 CA ASN A 31 5.347 1.397 -5.584 1.00 0.00 C ATOM 478 C ASN A 31 6.206 2.081 -4.519 1.00 0.00 C ATOM 479 O ASN A 31 6.816 3.103 -4.759 1.00 0.00 O ATOM 480 CB ASN A 31 6.024 1.538 -6.950 1.00 0.00 C ATOM 481 CG ASN A 31 5.969 2.999 -7.402 1.00 0.00 C ATOM 482 OD1 ASN A 31 5.440 3.843 -6.706 1.00 0.00 O ATOM 483 ND2 ASN A 31 6.497 3.334 -8.547 1.00 0.00 N ATOM 0 H ASN A 31 3.793 2.551 -6.483 1.00 0.00 H new ATOM 0 HA ASN A 31 5.239 0.341 -5.335 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.060 1.204 -6.890 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.526 0.902 -7.681 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.466 4.305 -8.858 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.941 2.625 -9.131 1.00 0.00 H new ATOM 490 N TYR A 32 6.258 1.517 -3.344 1.00 0.00 N ATOM 491 CA TYR A 32 7.077 2.123 -2.257 1.00 0.00 C ATOM 492 C TYR A 32 8.517 1.613 -2.360 1.00 0.00 C ATOM 493 O TYR A 32 9.055 1.062 -1.418 1.00 0.00 O ATOM 494 CB TYR A 32 6.492 1.728 -0.900 1.00 0.00 C ATOM 495 CG TYR A 32 7.306 2.361 0.204 1.00 0.00 C ATOM 496 CD1 TYR A 32 7.815 3.655 0.044 1.00 0.00 C ATOM 497 CD2 TYR A 32 7.550 1.653 1.386 1.00 0.00 C ATOM 498 CE1 TYR A 32 8.570 4.241 1.067 1.00 0.00 C ATOM 499 CE2 TYR A 32 8.305 2.239 2.409 1.00 0.00 C ATOM 500 CZ TYR A 32 8.814 3.532 2.250 1.00 0.00 C ATOM 501 OH TYR A 32 9.558 4.111 3.258 1.00 0.00 O ATOM 0 H TYR A 32 5.767 0.660 -3.089 1.00 0.00 H new ATOM 0 HA TYR A 32 7.068 3.209 -2.355 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.453 2.052 -0.832 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.495 0.643 -0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.625 4.201 -0.868 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.156 0.655 1.509 1.00 0.00 H new ATOM 0 HE1 TYR A 32 8.964 5.239 0.944 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.494 1.693 3.321 1.00 0.00 H new ATOM 0 HH TYR A 32 9.633 3.486 4.009 1.00 0.00 H new ATOM 511 N GLU A 33 9.135 1.804 -3.502 1.00 0.00 N ATOM 512 CA GLU A 33 10.548 1.353 -3.710 1.00 0.00 C ATOM 513 C GLU A 33 10.860 0.125 -2.853 1.00 0.00 C ATOM 514 O GLU A 33 11.452 0.231 -1.797 1.00 0.00 O ATOM 515 CB GLU A 33 11.503 2.487 -3.333 1.00 0.00 C ATOM 516 CG GLU A 33 12.255 2.955 -4.581 1.00 0.00 C ATOM 517 CD GLU A 33 11.300 3.730 -5.492 1.00 0.00 C ATOM 518 OE1 GLU A 33 10.983 4.861 -5.161 1.00 0.00 O ATOM 519 OE2 GLU A 33 10.904 3.180 -6.506 1.00 0.00 O ATOM 0 H GLU A 33 8.713 2.260 -4.311 1.00 0.00 H new ATOM 0 HA GLU A 33 10.676 1.087 -4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.946 3.317 -2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.209 2.146 -2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 33 13.096 3.587 -4.296 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.667 2.098 -5.113 1.00 0.00 H new ATOM 526 N GLY A 34 10.476 -1.038 -3.296 1.00 0.00 N ATOM 527 CA GLY A 34 10.765 -2.262 -2.499 1.00 0.00 C ATOM 528 C GLY A 34 9.456 -2.952 -2.115 1.00 0.00 C ATOM 529 O GLY A 34 9.300 -4.144 -2.284 1.00 0.00 O ATOM 0 H GLY A 34 9.977 -1.194 -4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.390 -2.943 -3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.325 -1.999 -1.601 1.00 0.00 H new ATOM 533 N CYS A 35 8.514 -2.213 -1.600 1.00 0.00 N ATOM 534 CA CYS A 35 7.215 -2.832 -1.207 1.00 0.00 C ATOM 535 C CYS A 35 6.115 -2.292 -2.122 1.00 0.00 C ATOM 536 O CYS A 35 6.266 -1.262 -2.742 1.00 0.00 O ATOM 537 CB CYS A 35 6.913 -2.477 0.255 1.00 0.00 C ATOM 538 SG CYS A 35 5.150 -2.708 0.623 1.00 0.00 S ATOM 0 H CYS A 35 8.586 -1.209 -1.434 1.00 0.00 H new ATOM 0 HA CYS A 35 7.264 -3.916 -1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.512 -3.102 0.917 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.197 -1.443 0.449 1.00 0.00 H new ATOM 543 N LEU A 36 5.013 -2.980 -2.216 1.00 0.00 N ATOM 544 CA LEU A 36 3.915 -2.499 -3.094 1.00 0.00 C ATOM 545 C LEU A 36 2.600 -2.464 -2.329 1.00 0.00 C ATOM 546 O LEU A 36 2.083 -3.490 -1.920 1.00 0.00 O ATOM 547 CB LEU A 36 3.748 -3.439 -4.281 1.00 0.00 C ATOM 548 CG LEU A 36 2.612 -2.917 -5.151 1.00 0.00 C ATOM 549 CD1 LEU A 36 3.140 -1.766 -6.002 1.00 0.00 C ATOM 550 CD2 LEU A 36 2.087 -4.040 -6.050 1.00 0.00 C ATOM 0 H LEU A 36 4.826 -3.853 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 36 4.171 -1.497 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.673 -3.492 -4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.528 -4.450 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 36 1.793 -2.565 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.338 -1.381 -6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.505 -0.971 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.955 -2.123 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.275 -3.660 -6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.893 -4.401 -6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.719 -4.859 -5.432 1.00 0.00 H new ATOM 562 N TRP A 37 2.039 -1.293 -2.164 1.00 0.00 N ATOM 563 CA TRP A 37 0.736 -1.186 -1.456 1.00 0.00 C ATOM 564 C TRP A 37 -0.392 -1.262 -2.491 1.00 0.00 C ATOM 565 O TRP A 37 -0.148 -1.335 -3.680 1.00 0.00 O ATOM 566 CB TRP A 37 0.651 0.142 -0.701 1.00 0.00 C ATOM 567 CG TRP A 37 1.867 0.335 0.145 1.00 0.00 C ATOM 568 CD1 TRP A 37 3.102 0.643 -0.312 1.00 0.00 C ATOM 569 CD2 TRP A 37 1.976 0.244 1.595 1.00 0.00 C ATOM 570 NE1 TRP A 37 3.962 0.749 0.767 1.00 0.00 N ATOM 571 CE2 TRP A 37 3.314 0.510 1.963 1.00 0.00 C ATOM 572 CE3 TRP A 37 1.051 -0.043 2.616 1.00 0.00 C ATOM 573 CZ2 TRP A 37 3.719 0.495 3.298 1.00 0.00 C ATOM 574 CZ3 TRP A 37 1.453 -0.061 3.957 1.00 0.00 C ATOM 575 CH2 TRP A 37 2.786 0.208 4.300 1.00 0.00 C ATOM 0 H TRP A 37 2.430 -0.409 -2.490 1.00 0.00 H new ATOM 0 HA TRP A 37 0.643 -2.001 -0.738 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.558 0.965 -1.409 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.242 0.156 -0.076 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.372 0.783 -1.348 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.953 0.976 0.689 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.022 -0.251 2.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.747 0.704 3.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.733 -0.283 4.731 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.092 0.194 5.336 1.00 0.00 H new ATOM 586 N ASN A 38 -1.622 -1.254 -2.052 1.00 0.00 N ATOM 587 CA ASN A 38 -2.758 -1.341 -3.016 1.00 0.00 C ATOM 588 C ASN A 38 -3.909 -0.440 -2.553 1.00 0.00 C ATOM 589 O ASN A 38 -4.468 -0.623 -1.485 1.00 0.00 O ATOM 590 CB ASN A 38 -3.224 -2.809 -3.101 1.00 0.00 C ATOM 591 CG ASN A 38 -4.741 -2.901 -3.312 1.00 0.00 C ATOM 592 OD1 ASN A 38 -5.298 -2.216 -4.268 1.00 0.00 O flip ATOM 593 ND2 ASN A 38 -5.424 -3.604 -2.594 1.00 0.00 N flip ATOM 0 H ASN A 38 -1.889 -1.191 -1.070 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.436 -1.004 -4.001 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.710 -3.309 -3.922 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.949 -3.334 -2.186 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.989 -4.142 -1.844 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.432 -3.656 -2.741 1.00 0.00 H new ATOM 600 N ALA A 39 -4.278 0.516 -3.364 1.00 0.00 N ATOM 601 CA ALA A 39 -5.401 1.420 -2.997 1.00 0.00 C ATOM 602 C ALA A 39 -6.703 0.850 -3.568 1.00 0.00 C ATOM 603 O ALA A 39 -6.778 0.480 -4.729 1.00 0.00 O ATOM 604 CB ALA A 39 -5.151 2.812 -3.581 1.00 0.00 C ATOM 0 H ALA A 39 -3.846 0.708 -4.268 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.475 1.496 -1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.975 3.473 -3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.219 3.212 -3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.081 2.744 -4.667 1.00 0.00 H new ATOM 610 N THR A 40 -7.725 0.768 -2.758 1.00 0.00 N ATOM 611 CA THR A 40 -9.021 0.216 -3.240 1.00 0.00 C ATOM 612 C THR A 40 -9.729 1.245 -4.123 1.00 0.00 C ATOM 613 O THR A 40 -10.056 0.978 -5.262 1.00 0.00 O ATOM 614 CB THR A 40 -9.903 -0.122 -2.034 1.00 0.00 C ATOM 615 OG1 THR A 40 -10.555 1.056 -1.582 1.00 0.00 O ATOM 616 CG2 THR A 40 -9.036 -0.694 -0.910 1.00 0.00 C ATOM 0 H THR A 40 -7.716 1.061 -1.781 1.00 0.00 H new ATOM 0 HA THR A 40 -8.837 -0.685 -3.825 1.00 0.00 H new ATOM 0 HB THR A 40 -10.650 -0.861 -2.324 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.121 0.841 -0.811 1.00 0.00 H new ATOM 0 HG21 THR A 40 -9.664 -0.934 -0.052 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.537 -1.598 -1.259 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.288 0.043 -0.617 1.00 0.00 H new ATOM 624 N GLY A 41 -9.970 2.420 -3.609 1.00 0.00 N ATOM 625 CA GLY A 41 -10.658 3.461 -4.424 1.00 0.00 C ATOM 626 C GLY A 41 -10.772 4.751 -3.612 1.00 0.00 C ATOM 627 O GLY A 41 -10.255 5.783 -3.992 1.00 0.00 O ATOM 0 H GLY A 41 -9.721 2.704 -2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.102 3.645 -5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.649 3.114 -4.716 1.00 0.00 H new ATOM 631 N VAL A 42 -11.440 4.700 -2.492 1.00 0.00 N ATOM 632 CA VAL A 42 -11.580 5.924 -1.656 1.00 0.00 C ATOM 633 C VAL A 42 -10.196 6.366 -1.179 1.00 0.00 C ATOM 634 O VAL A 42 -9.733 5.966 -0.131 1.00 0.00 O ATOM 635 CB VAL A 42 -12.461 5.618 -0.442 1.00 0.00 C ATOM 636 CG1 VAL A 42 -12.499 6.840 0.477 1.00 0.00 C ATOM 637 CG2 VAL A 42 -13.880 5.288 -0.909 1.00 0.00 C ATOM 0 H VAL A 42 -11.894 3.865 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 42 -12.039 6.718 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.051 4.766 0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.126 6.625 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.488 7.076 0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.910 7.691 -0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.506 5.070 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.292 6.140 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.854 4.419 -1.566 1.00 0.00 H new ATOM 647 N VAL A 43 -9.530 7.189 -1.944 1.00 0.00 N ATOM 648 CA VAL A 43 -8.175 7.651 -1.533 1.00 0.00 C ATOM 649 C VAL A 43 -8.013 9.131 -1.889 1.00 0.00 C ATOM 650 O VAL A 43 -8.194 9.529 -3.021 1.00 0.00 O ATOM 651 CB VAL A 43 -7.114 6.831 -2.270 1.00 0.00 C ATOM 652 CG1 VAL A 43 -5.730 7.179 -1.722 1.00 0.00 C ATOM 653 CG2 VAL A 43 -7.382 5.338 -2.059 1.00 0.00 C ATOM 0 H VAL A 43 -9.865 7.560 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.055 7.520 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.154 7.061 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.974 6.595 -2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.536 8.241 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.692 6.949 -0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.626 4.755 -2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.343 5.108 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.369 5.087 -2.448 1.00 0.00 H new ATOM 663 N VAL A 44 -7.669 9.951 -0.932 1.00 0.00 N ATOM 664 CA VAL A 44 -7.493 11.401 -1.228 1.00 0.00 C ATOM 665 C VAL A 44 -6.562 11.555 -2.430 1.00 0.00 C ATOM 666 O VAL A 44 -5.362 11.402 -2.317 1.00 0.00 O ATOM 667 CB VAL A 44 -6.873 12.101 -0.018 1.00 0.00 C ATOM 668 CG1 VAL A 44 -6.428 13.509 -0.416 1.00 0.00 C ATOM 669 CG2 VAL A 44 -7.909 12.193 1.105 1.00 0.00 C ATOM 0 H VAL A 44 -7.503 9.680 0.037 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.462 11.849 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.011 11.531 0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.986 14.008 0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.690 13.445 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.290 14.079 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.467 12.692 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.771 12.763 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.227 11.190 1.390 1.00 0.00 H new ATOM 679 N CYS A 45 -7.100 11.845 -3.580 1.00 0.00 N ATOM 680 CA CYS A 45 -6.234 11.993 -4.781 1.00 0.00 C ATOM 681 C CYS A 45 -6.159 13.459 -5.204 1.00 0.00 C ATOM 682 O CYS A 45 -7.122 14.195 -5.122 1.00 0.00 O ATOM 683 CB CYS A 45 -6.808 11.156 -5.923 1.00 0.00 C ATOM 684 SG CYS A 45 -6.036 9.517 -5.908 1.00 0.00 S ATOM 0 H CYS A 45 -8.097 11.985 -3.740 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.229 11.647 -4.541 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.889 11.063 -5.814 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.625 11.648 -6.878 1.00 0.00 H new ATOM 689 N THR A 46 -5.012 13.878 -5.659 1.00 0.00 N ATOM 690 CA THR A 46 -4.842 15.288 -6.099 1.00 0.00 C ATOM 691 C THR A 46 -3.963 15.314 -7.353 1.00 0.00 C ATOM 692 O THR A 46 -3.132 14.445 -7.560 1.00 0.00 O ATOM 693 CB THR A 46 -4.173 16.092 -4.983 1.00 0.00 C ATOM 694 OG1 THR A 46 -4.020 17.443 -5.398 1.00 0.00 O ATOM 695 CG2 THR A 46 -2.801 15.492 -4.672 1.00 0.00 C ATOM 0 H THR A 46 -4.178 13.297 -5.745 1.00 0.00 H new ATOM 0 HA THR A 46 -5.814 15.728 -6.323 1.00 0.00 H new ATOM 0 HB THR A 46 -4.794 16.057 -4.088 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.593 17.959 -4.682 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.325 16.065 -3.877 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.921 14.457 -4.351 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.178 15.525 -5.566 1.00 0.00 H new ATOM 703 N GLY A 47 -4.145 16.297 -8.197 1.00 0.00 N ATOM 704 CA GLY A 47 -3.329 16.373 -9.442 1.00 0.00 C ATOM 705 C GLY A 47 -3.792 15.284 -10.406 1.00 0.00 C ATOM 706 O GLY A 47 -3.022 14.440 -10.817 1.00 0.00 O ATOM 0 H GLY A 47 -4.823 17.049 -8.076 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.436 17.355 -9.903 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.272 16.244 -9.208 1.00 0.00 H new ATOM 710 N ASP A 48 -5.049 15.281 -10.755 1.00 0.00 N ATOM 711 CA ASP A 48 -5.561 14.225 -11.670 1.00 0.00 C ATOM 712 C ASP A 48 -5.403 12.870 -10.980 1.00 0.00 C ATOM 713 O ASP A 48 -5.504 11.830 -11.596 1.00 0.00 O ATOM 714 CB ASP A 48 -4.759 14.230 -12.971 1.00 0.00 C ATOM 715 CG ASP A 48 -4.943 15.573 -13.681 1.00 0.00 C ATOM 716 OD1 ASP A 48 -5.948 16.218 -13.432 1.00 0.00 O ATOM 717 OD2 ASP A 48 -4.076 15.932 -14.460 1.00 0.00 O ATOM 0 H ASP A 48 -5.742 15.963 -10.446 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.609 14.412 -11.902 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.703 14.060 -12.760 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.090 13.417 -13.617 1.00 0.00 H new ATOM 722 N GLU A 49 -5.150 12.889 -9.696 1.00 0.00 N ATOM 723 CA GLU A 49 -4.977 11.624 -8.931 1.00 0.00 C ATOM 724 C GLU A 49 -3.566 11.077 -9.139 1.00 0.00 C ATOM 725 O GLU A 49 -3.328 9.891 -9.033 1.00 0.00 O ATOM 726 CB GLU A 49 -6.009 10.589 -9.377 1.00 0.00 C ATOM 727 CG GLU A 49 -7.390 11.244 -9.438 1.00 0.00 C ATOM 728 CD GLU A 49 -8.051 10.928 -10.781 1.00 0.00 C ATOM 729 OE1 GLU A 49 -7.825 11.674 -11.720 1.00 0.00 O ATOM 730 OE2 GLU A 49 -8.771 9.946 -10.846 1.00 0.00 O ATOM 0 H GLU A 49 -5.055 13.740 -9.141 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.126 11.833 -7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.740 10.189 -10.355 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.023 9.750 -8.682 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.012 10.880 -8.621 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.298 12.323 -9.312 1.00 0.00 H new ATOM 737 N THR A 50 -2.624 11.936 -9.403 1.00 0.00 N ATOM 738 CA THR A 50 -1.227 11.464 -9.581 1.00 0.00 C ATOM 739 C THR A 50 -0.692 11.092 -8.203 1.00 0.00 C ATOM 740 O THR A 50 0.016 10.121 -8.037 1.00 0.00 O ATOM 741 CB THR A 50 -0.374 12.581 -10.189 1.00 0.00 C ATOM 742 OG1 THR A 50 -0.958 13.840 -9.885 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.308 12.400 -11.705 1.00 0.00 C ATOM 0 H THR A 50 -2.761 12.942 -9.503 1.00 0.00 H new ATOM 0 HA THR A 50 -1.192 10.605 -10.251 1.00 0.00 H new ATOM 0 HB THR A 50 0.633 12.539 -9.774 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.561 14.105 -10.611 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.299 13.194 -12.140 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.139 11.433 -11.937 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.315 12.443 -12.121 1.00 0.00 H new ATOM 751 N GLN A 51 -1.057 11.853 -7.208 1.00 0.00 N ATOM 752 CA GLN A 51 -0.607 11.549 -5.822 1.00 0.00 C ATOM 753 C GLN A 51 -1.839 11.203 -4.986 1.00 0.00 C ATOM 754 O GLN A 51 -2.886 11.793 -5.154 1.00 0.00 O ATOM 755 CB GLN A 51 0.086 12.776 -5.230 1.00 0.00 C ATOM 756 CG GLN A 51 1.083 13.338 -6.246 1.00 0.00 C ATOM 757 CD GLN A 51 0.455 14.528 -6.976 1.00 0.00 C ATOM 758 OE1 GLN A 51 -0.750 14.608 -7.108 1.00 0.00 O ATOM 759 NE2 GLN A 51 1.228 15.462 -7.459 1.00 0.00 N ATOM 0 H GLN A 51 -1.651 12.677 -7.297 1.00 0.00 H new ATOM 0 HA GLN A 51 0.094 10.714 -5.825 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.653 13.535 -4.971 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.602 12.506 -4.309 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.997 13.650 -5.740 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.363 12.565 -6.962 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.240 15.395 -7.348 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.820 16.259 -7.947 1.00 0.00 H new ATOM 768 N CYS A 52 -1.748 10.251 -4.098 1.00 0.00 N ATOM 769 CA CYS A 52 -2.955 9.905 -3.296 1.00 0.00 C ATOM 770 C CYS A 52 -2.567 9.390 -1.907 1.00 0.00 C ATOM 771 O CYS A 52 -1.446 8.979 -1.669 1.00 0.00 O ATOM 772 CB CYS A 52 -3.756 8.826 -4.034 1.00 0.00 C ATOM 773 SG CYS A 52 -5.522 9.221 -3.974 1.00 0.00 S ATOM 0 H CYS A 52 -0.909 9.708 -3.896 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.558 10.805 -3.171 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.424 8.759 -5.070 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.577 7.852 -3.579 1.00 0.00 H new ATOM 778 N TYR A 53 -3.502 9.402 -0.990 1.00 0.00 N ATOM 779 CA TYR A 53 -3.219 8.908 0.388 1.00 0.00 C ATOM 780 C TYR A 53 -4.471 8.211 0.937 1.00 0.00 C ATOM 781 O TYR A 53 -5.579 8.466 0.507 1.00 0.00 O ATOM 782 CB TYR A 53 -2.804 10.098 1.284 1.00 0.00 C ATOM 783 CG TYR A 53 -3.455 10.017 2.656 1.00 0.00 C ATOM 784 CD1 TYR A 53 -3.073 9.018 3.563 1.00 0.00 C ATOM 785 CD2 TYR A 53 -4.440 10.945 3.014 1.00 0.00 C ATOM 786 CE1 TYR A 53 -3.676 8.948 4.826 1.00 0.00 C ATOM 787 CE2 TYR A 53 -5.042 10.877 4.277 1.00 0.00 C ATOM 788 CZ TYR A 53 -4.660 9.878 5.182 1.00 0.00 C ATOM 789 OH TYR A 53 -5.253 9.813 6.427 1.00 0.00 O ATOM 0 H TYR A 53 -4.454 9.735 -1.140 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.400 8.189 0.374 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.720 10.110 1.395 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.086 11.034 0.801 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.313 8.302 3.288 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.736 11.714 2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.382 8.178 5.524 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.800 11.595 4.553 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.913 10.532 6.513 1.00 0.00 H new ATOM 799 N GLY A 54 -4.295 7.333 1.885 1.00 0.00 N ATOM 800 CA GLY A 54 -5.461 6.612 2.467 1.00 0.00 C ATOM 801 C GLY A 54 -5.034 5.190 2.827 1.00 0.00 C ATOM 802 O GLY A 54 -3.983 4.977 3.396 1.00 0.00 O ATOM 0 H GLY A 54 -3.390 7.083 2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.822 7.133 3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.285 6.589 1.753 1.00 0.00 H new ATOM 806 N THR A 55 -5.831 4.213 2.497 1.00 0.00 N ATOM 807 CA THR A 55 -5.445 2.813 2.822 1.00 0.00 C ATOM 808 C THR A 55 -4.900 2.134 1.571 1.00 0.00 C ATOM 809 O THR A 55 -5.555 2.049 0.550 1.00 0.00 O ATOM 810 CB THR A 55 -6.658 2.029 3.323 1.00 0.00 C ATOM 811 OG1 THR A 55 -7.782 2.325 2.507 1.00 0.00 O ATOM 812 CG2 THR A 55 -6.958 2.419 4.766 1.00 0.00 C ATOM 0 H THR A 55 -6.726 4.322 2.020 1.00 0.00 H new ATOM 0 HA THR A 55 -4.683 2.832 3.601 1.00 0.00 H new ATOM 0 HB THR A 55 -6.445 0.961 3.275 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.503 2.369 1.569 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.823 1.859 5.122 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.095 2.190 5.392 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.171 3.487 4.818 1.00 0.00 H new ATOM 820 N TRP A 56 -3.706 1.644 1.660 1.00 0.00 N ATOM 821 CA TRP A 56 -3.078 0.949 0.514 1.00 0.00 C ATOM 822 C TRP A 56 -2.694 -0.480 0.923 1.00 0.00 C ATOM 823 O TRP A 56 -1.546 -0.765 1.176 1.00 0.00 O ATOM 824 CB TRP A 56 -1.816 1.701 0.166 1.00 0.00 C ATOM 825 CG TRP A 56 -2.143 3.129 -0.069 1.00 0.00 C ATOM 826 CD1 TRP A 56 -2.389 4.043 0.895 1.00 0.00 C ATOM 827 CD2 TRP A 56 -2.266 3.818 -1.337 1.00 0.00 C ATOM 828 NE1 TRP A 56 -2.659 5.257 0.294 1.00 0.00 N ATOM 829 CE2 TRP A 56 -2.594 5.168 -1.087 1.00 0.00 C ATOM 830 CE3 TRP A 56 -2.125 3.396 -2.667 1.00 0.00 C ATOM 831 CZ2 TRP A 56 -2.776 6.075 -2.131 1.00 0.00 C ATOM 832 CZ3 TRP A 56 -2.307 4.301 -3.721 1.00 0.00 C ATOM 833 CH2 TRP A 56 -2.633 5.640 -3.454 1.00 0.00 C ATOM 0 H TRP A 56 -3.125 1.696 2.497 1.00 0.00 H new ATOM 0 HA TRP A 56 -3.767 0.911 -0.330 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.091 1.611 0.975 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.356 1.270 -0.724 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.377 3.856 1.959 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -2.879 6.113 0.804 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -1.875 2.367 -2.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.025 7.105 -1.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -2.196 3.967 -4.742 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.773 6.335 -4.269 1.00 0.00 H new ATOM 844 N VAL A 57 -3.631 -1.372 1.027 1.00 0.00 N ATOM 845 CA VAL A 57 -3.280 -2.764 1.457 1.00 0.00 C ATOM 846 C VAL A 57 -1.986 -3.231 0.765 1.00 0.00 C ATOM 847 O VAL A 57 -1.870 -3.150 -0.439 1.00 0.00 O ATOM 848 CB VAL A 57 -4.426 -3.709 1.085 1.00 0.00 C ATOM 849 CG1 VAL A 57 -4.076 -5.133 1.525 1.00 0.00 C ATOM 850 CG2 VAL A 57 -5.705 -3.258 1.793 1.00 0.00 C ATOM 0 H VAL A 57 -4.620 -1.208 0.837 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.123 -2.773 2.536 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.579 -3.689 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.891 -5.806 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.163 -5.455 1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.924 -5.153 2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.523 -3.929 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.551 -3.280 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.954 -2.243 1.482 1.00 0.00 H new ATOM 860 N PRO A 58 -1.047 -3.720 1.549 1.00 0.00 N ATOM 861 CA PRO A 58 0.242 -4.212 1.030 1.00 0.00 C ATOM 862 C PRO A 58 0.050 -5.606 0.426 1.00 0.00 C ATOM 863 O PRO A 58 -0.665 -6.427 0.964 1.00 0.00 O ATOM 864 CB PRO A 58 1.146 -4.243 2.271 1.00 0.00 C ATOM 865 CG PRO A 58 0.205 -4.302 3.499 1.00 0.00 C ATOM 866 CD PRO A 58 -1.185 -3.835 3.014 1.00 0.00 C ATOM 0 HA PRO A 58 0.667 -3.595 0.238 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.808 -5.109 2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.781 -3.358 2.311 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.155 -5.314 3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.572 -3.659 4.299 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.961 -4.551 3.284 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.462 -2.881 3.463 1.00 0.00 H new ATOM 874 N ILE A 59 0.653 -5.874 -0.702 1.00 0.00 N ATOM 875 CA ILE A 59 0.459 -7.208 -1.333 1.00 0.00 C ATOM 876 C ILE A 59 1.723 -7.680 -2.047 1.00 0.00 C ATOM 877 O ILE A 59 1.933 -8.866 -2.203 1.00 0.00 O ATOM 878 CB ILE A 59 -0.659 -7.124 -2.374 1.00 0.00 C ATOM 879 CG1 ILE A 59 -0.385 -5.946 -3.330 1.00 0.00 C ATOM 880 CG2 ILE A 59 -2.010 -6.942 -1.678 1.00 0.00 C ATOM 881 CD1 ILE A 59 -0.873 -4.624 -2.727 1.00 0.00 C ATOM 0 H ILE A 59 1.265 -5.233 -1.208 1.00 0.00 H new ATOM 0 HA ILE A 59 0.209 -7.912 -0.539 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.688 -8.049 -2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.683 -5.883 -3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.885 -6.122 -4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.800 -6.883 -2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.197 -7.790 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.996 -6.023 -1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.668 -3.809 -3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.946 -4.682 -2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.353 -4.439 -1.787 1.00 0.00 H new ATOM 893 N GLY A 60 2.551 -6.793 -2.527 1.00 0.00 N ATOM 894 CA GLY A 60 3.748 -7.285 -3.262 1.00 0.00 C ATOM 895 C GLY A 60 4.988 -6.470 -2.924 1.00 0.00 C ATOM 896 O GLY A 60 5.091 -5.871 -1.875 1.00 0.00 O ATOM 0 H GLY A 60 2.456 -5.781 -2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.922 -8.332 -3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.562 -7.237 -4.335 1.00 0.00 H new ATOM 900 N LEU A 61 5.941 -6.463 -3.815 1.00 0.00 N ATOM 901 CA LEU A 61 7.192 -5.704 -3.569 1.00 0.00 C ATOM 902 C LEU A 61 7.170 -4.403 -4.374 1.00 0.00 C ATOM 903 O LEU A 61 7.750 -3.414 -3.974 1.00 0.00 O ATOM 904 CB LEU A 61 8.391 -6.558 -3.987 1.00 0.00 C ATOM 905 CG LEU A 61 8.133 -8.019 -3.607 1.00 0.00 C ATOM 906 CD1 LEU A 61 9.218 -8.909 -4.218 1.00 0.00 C ATOM 907 CD2 LEU A 61 8.154 -8.163 -2.083 1.00 0.00 C ATOM 0 H LEU A 61 5.903 -6.955 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 61 7.273 -5.463 -2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.554 -6.474 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.296 -6.198 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 61 7.158 -8.324 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.032 -9.948 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.202 -8.809 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.194 -8.604 -3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.970 -9.203 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.128 -7.856 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.379 -7.533 -1.647 1.00 0.00 H new ATOM 919 N ALA A 62 6.499 -4.376 -5.499 1.00 0.00 N ATOM 920 CA ALA A 62 6.459 -3.107 -6.284 1.00 0.00 C ATOM 921 C ALA A 62 5.816 -3.315 -7.664 1.00 0.00 C ATOM 922 O ALA A 62 6.363 -2.896 -8.663 1.00 0.00 O ATOM 923 CB ALA A 62 7.887 -2.586 -6.463 1.00 0.00 C ATOM 0 H ALA A 62 5.987 -5.162 -5.901 1.00 0.00 H new ATOM 0 HA ALA A 62 5.853 -2.385 -5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.867 -1.659 -7.036 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.331 -2.399 -5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.481 -3.329 -6.996 1.00 0.00 H new ATOM 929 N ILE A 63 4.643 -3.909 -7.722 1.00 0.00 N ATOM 930 CA ILE A 63 3.942 -4.095 -9.041 1.00 0.00 C ATOM 931 C ILE A 63 2.880 -5.221 -8.990 1.00 0.00 C ATOM 932 O ILE A 63 1.838 -5.072 -9.591 1.00 0.00 O ATOM 933 CB ILE A 63 4.964 -4.359 -10.174 1.00 0.00 C ATOM 934 CG1 ILE A 63 5.076 -3.098 -11.047 1.00 0.00 C ATOM 935 CG2 ILE A 63 4.527 -5.534 -11.062 1.00 0.00 C ATOM 936 CD1 ILE A 63 3.679 -2.645 -11.501 1.00 0.00 C ATOM 0 H ILE A 63 4.140 -4.274 -6.913 1.00 0.00 H new ATOM 0 HA ILE A 63 3.414 -3.166 -9.254 1.00 0.00 H new ATOM 0 HB ILE A 63 5.923 -4.607 -9.719 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.561 -2.300 -10.486 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.701 -3.302 -11.916 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.267 -5.692 -11.847 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.443 -6.436 -10.456 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.561 -5.309 -11.514 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.769 -1.751 -12.119 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.209 -3.440 -12.080 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.067 -2.422 -10.627 1.00 0.00 H new ATOM 948 N PRO A 64 3.155 -6.320 -8.318 1.00 0.00 N ATOM 949 CA PRO A 64 2.195 -7.441 -8.262 1.00 0.00 C ATOM 950 C PRO A 64 0.971 -7.103 -7.406 1.00 0.00 C ATOM 951 O PRO A 64 1.051 -6.391 -6.424 1.00 0.00 O ATOM 952 CB PRO A 64 3.011 -8.601 -7.686 1.00 0.00 C ATOM 953 CG PRO A 64 4.223 -7.972 -6.966 1.00 0.00 C ATOM 954 CD PRO A 64 4.401 -6.557 -7.554 1.00 0.00 C ATOM 0 HA PRO A 64 1.777 -7.683 -9.239 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.411 -9.190 -6.992 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.338 -9.276 -8.477 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.053 -7.926 -5.890 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.120 -8.572 -7.122 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.534 -5.813 -6.768 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.279 -6.501 -8.197 1.00 0.00 H new ATOM 962 N GLU A 65 -0.171 -7.603 -7.803 1.00 0.00 N ATOM 963 CA GLU A 65 -1.434 -7.320 -7.062 1.00 0.00 C ATOM 964 C GLU A 65 -1.504 -8.163 -5.784 1.00 0.00 C ATOM 965 O GLU A 65 -0.505 -8.444 -5.154 1.00 0.00 O ATOM 966 CB GLU A 65 -2.631 -7.653 -7.962 1.00 0.00 C ATOM 967 CG GLU A 65 -2.712 -9.167 -8.184 1.00 0.00 C ATOM 968 CD GLU A 65 -4.175 -9.578 -8.350 1.00 0.00 C ATOM 969 OE1 GLU A 65 -4.997 -9.093 -7.592 1.00 0.00 O ATOM 970 OE2 GLU A 65 -4.449 -10.375 -9.233 1.00 0.00 O ATOM 0 H GLU A 65 -0.282 -8.203 -8.620 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.457 -6.266 -6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.553 -7.294 -7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.531 -7.141 -8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.141 -9.447 -9.070 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.268 -9.694 -7.339 1.00 0.00 H new ATOM 977 N ASN A 66 -2.689 -8.558 -5.400 1.00 0.00 N ATOM 978 CA ASN A 66 -2.852 -9.372 -4.165 1.00 0.00 C ATOM 979 C ASN A 66 -2.804 -10.862 -4.513 1.00 0.00 C ATOM 980 O ASN A 66 -2.375 -11.679 -3.723 1.00 0.00 O ATOM 981 CB ASN A 66 -4.204 -9.038 -3.532 1.00 0.00 C ATOM 982 CG ASN A 66 -4.223 -9.518 -2.080 1.00 0.00 C ATOM 983 OD1 ASN A 66 -3.478 -10.403 -1.710 1.00 0.00 O ATOM 984 ND2 ASN A 66 -5.054 -8.969 -1.235 1.00 0.00 N ATOM 0 H ASN A 66 -3.556 -8.349 -5.894 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.046 -9.146 -3.467 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.380 -7.963 -3.573 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.008 -9.514 -4.094 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.077 -9.284 -0.265 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.680 -8.226 -1.545 1.00 0.00 H new ATOM 991 N ALA A 67 -3.247 -11.224 -5.685 1.00 0.00 N ATOM 992 CA ALA A 67 -3.231 -12.662 -6.075 1.00 0.00 C ATOM 993 C ALA A 67 -1.990 -12.955 -6.921 1.00 0.00 C ATOM 994 O ALA A 67 -1.814 -14.047 -7.423 1.00 0.00 O ATOM 995 CB ALA A 67 -4.487 -12.982 -6.888 1.00 0.00 C ATOM 0 H ALA A 67 -3.619 -10.587 -6.389 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.208 -13.279 -5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.477 -14.034 -7.174 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.372 -12.778 -6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.508 -12.362 -7.784 1.00 0.00 H new ATOM 1001 N ALA A 68 -1.128 -11.990 -7.084 1.00 0.00 N ATOM 1002 CA ALA A 68 0.098 -12.219 -7.900 1.00 0.00 C ATOM 1003 C ALA A 68 1.266 -12.568 -6.975 1.00 0.00 C ATOM 1004 O ALA A 68 1.083 -13.124 -5.911 1.00 0.00 O ATOM 1005 CB ALA A 68 0.430 -10.951 -8.688 1.00 0.00 C ATOM 0 H ALA A 68 -1.219 -11.054 -6.688 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.074 -13.042 -8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.327 -11.118 -9.285 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.403 -10.703 -9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.603 -10.127 -7.996 1.00 0.00 H new ATOM 1011 N ALA A 69 2.466 -12.247 -7.375 1.00 0.00 N ATOM 1012 CA ALA A 69 3.644 -12.564 -6.519 1.00 0.00 C ATOM 1013 C ALA A 69 3.764 -14.080 -6.359 1.00 0.00 C ATOM 1014 O ALA A 69 3.065 -14.689 -5.573 1.00 0.00 O ATOM 1015 CB ALA A 69 3.464 -11.917 -5.144 1.00 0.00 C ATOM 0 H ALA A 69 2.681 -11.780 -8.256 1.00 0.00 H new ATOM 0 HA ALA A 69 4.549 -12.176 -6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.325 -12.149 -4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.379 -10.836 -5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.560 -12.305 -4.675 1.00 0.00 H new ATOM 1021 N HIS A 70 4.646 -14.695 -7.099 1.00 0.00 N ATOM 1022 CA HIS A 70 4.811 -16.172 -6.992 1.00 0.00 C ATOM 1023 C HIS A 70 3.568 -16.866 -7.555 1.00 0.00 C ATOM 1024 O HIS A 70 3.620 -18.070 -7.740 1.00 0.00 O ATOM 1025 CB HIS A 70 4.995 -16.561 -5.523 1.00 0.00 C ATOM 1026 CG HIS A 70 6.379 -17.115 -5.322 1.00 0.00 C ATOM 1027 ND1 HIS A 70 6.622 -18.241 -4.551 1.00 0.00 N ATOM 1028 CD2 HIS A 70 7.605 -16.708 -5.786 1.00 0.00 C ATOM 1029 CE1 HIS A 70 7.948 -18.472 -4.575 1.00 0.00 C ATOM 1030 NE2 HIS A 70 8.594 -17.567 -5.315 1.00 0.00 N ATOM 1031 OXT HIS A 70 2.588 -16.179 -7.791 1.00 0.00 O ATOM 0 H HIS A 70 5.260 -14.238 -7.773 1.00 0.00 H new ATOM 0 HA HIS A 70 5.688 -16.482 -7.560 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.843 -15.692 -4.883 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.249 -17.302 -5.236 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.776 -15.851 -6.420 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.430 -19.289 -4.059 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.597 -17.516 -5.496 1.00 0.00 H new TER 1039 HIS A 70