USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot 180:sc= 0.641 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0254 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 148:sc= 0.696 (180deg=-0.325) USER MOD Set 2.2: A 12 THR OG1 : rot 147:sc= 0.631 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 2.13 (180deg=1.89) USER MOD Single : A 2 GLN : amide:sc= 0.373 K(o=0.37,f=-1.2) USER MOD Single : A 11 LYS NZ :NH3+ -136:sc= 1.11 (180deg=-0.381!) USER MOD Single : A 14 THR OG1 : rot -61:sc= 0.19 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 1.32 (180deg=0.628) USER MOD Single : A 29 LYS NZ :NH3+ 142:sc= 1.22 (180deg=1.05) USER MOD Single : A 31 GLN : amide:sc= -0.496 K(o=-0.5,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0154 K(o=-0.015,f=-0.59) USER MOD Single : A 41 GLN : amide:sc= 0.613 K(o=0.61,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.00426 X(o=0.0043,f=-0.0027) USER MOD Single : A 55 THR OG1 : rot -68:sc= 1.36 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= -0.0273 USER MOD Single : A 60 ASN : amide:sc=-0.00561 X(o=-0.0056,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 1.03 (180deg=0.775) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0326 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.591 -7.371 -4.766 1.00 9.67 N ATOM 2 CA MET A 1 11.520 -7.813 -3.353 1.00 10.38 C ATOM 3 C MET A 1 10.119 -8.138 -2.920 1.00 9.62 C ATOM 4 O MET A 1 9.074 -7.773 -3.513 1.00 9.62 O ATOM 5 CB MET A 1 12.094 -6.712 -2.473 1.00 13.77 C ATOM 6 CG MET A 1 11.385 -5.311 -2.575 1.00 16.29 C ATOM 7 SD MET A 1 12.449 -3.970 -1.828 1.00 17.17 S ATOM 8 CE MET A 1 11.073 -2.890 -1.482 1.00 16.11 C ATOM 0 H1 MET A 1 12.560 -7.063 -4.985 1.00 9.67 H new ATOM 0 H2 MET A 1 11.329 -8.161 -5.390 1.00 9.67 H new ATOM 0 H3 MET A 1 10.934 -6.579 -4.915 1.00 9.67 H new ATOM 0 HA MET A 1 12.099 -8.731 -3.254 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.052 -7.044 -1.436 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.147 -6.584 -2.725 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.180 -5.078 -3.620 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.424 -5.347 -2.062 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.437 -1.975 -1.014 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.562 -2.643 -2.412 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.378 -3.391 -0.808 1.00 16.11 H new ATOM 20 N GLN A 2 10.001 -8.809 -1.801 1.00 9.27 N ATOM 21 CA GLN A 2 8.704 -9.176 -1.223 1.00 9.07 C ATOM 22 C GLN A 2 8.335 -8.203 -0.181 1.00 8.72 C ATOM 23 O GLN A 2 9.130 -7.822 0.666 1.00 8.22 O ATOM 24 CB GLN A 2 8.795 -10.494 -0.523 1.00 14.46 C ATOM 25 CG GLN A 2 9.022 -11.728 -1.391 1.00 17.01 C ATOM 26 CD GLN A 2 7.770 -12.191 -2.138 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.171 -13.077 -1.524 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.498 -11.632 -3.354 1.00 19.49 N ATOM 0 H GLN A 2 10.800 -9.125 -1.251 1.00 9.27 H new ATOM 0 HA GLN A 2 7.980 -9.207 -2.037 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.607 -10.437 0.202 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.874 -10.642 0.041 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.808 -11.513 -2.115 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.382 -12.543 -0.763 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.102 -10.898 -3.725 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.691 -11.948 -3.892 1.00 19.49 H new ATOM 37 N ILE A 3 7.040 -7.811 -0.041 1.00 5.87 N ATOM 38 CA ILE A 3 6.466 -6.993 0.988 1.00 5.07 C ATOM 39 C ILE A 3 5.081 -7.474 1.332 1.00 4.01 C ATOM 40 O ILE A 3 4.409 -8.122 0.566 1.00 4.61 O ATOM 41 CB ILE A 3 6.418 -5.487 0.648 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.746 -5.173 -0.727 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.888 -4.914 0.663 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.671 -3.674 -0.963 1.00 10.83 C ATOM 0 H ILE A 3 6.335 -8.100 -0.719 1.00 5.87 H new ATOM 0 HA ILE A 3 7.132 -7.096 1.845 1.00 5.07 H new ATOM 0 HB ILE A 3 5.798 -5.008 1.406 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.313 -5.644 -1.530 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.743 -5.600 -0.752 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.866 -3.851 0.424 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.323 -5.055 1.652 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.491 -5.440 -0.077 1.00 5.58 H new ATOM 0 HD11 ILE A 3 5.199 -3.481 -1.926 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.083 -3.210 -0.171 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.677 -3.255 -0.961 1.00 10.83 H new ATOM 56 N PHE A 4 4.598 -7.171 2.500 1.00 4.55 N ATOM 57 CA PHE A 4 3.387 -7.779 3.028 1.00 4.68 C ATOM 58 C PHE A 4 2.453 -6.631 3.224 1.00 5.30 C ATOM 59 O PHE A 4 2.883 -5.559 3.641 1.00 5.58 O ATOM 60 CB PHE A 4 3.566 -8.572 4.314 1.00 4.83 C ATOM 61 CG PHE A 4 4.580 -9.593 3.996 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.414 -10.550 3.026 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.809 -9.491 4.654 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.468 -11.397 2.712 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.878 -10.366 4.352 1.00 10.61 C ATOM 66 CZ PHE A 4 6.725 -11.302 3.302 1.00 8.90 C ATOM 0 H PHE A 4 5.028 -6.491 3.127 1.00 4.55 H new ATOM 0 HA PHE A 4 3.019 -8.534 2.333 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.896 -7.930 5.131 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.629 -9.031 4.628 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.470 -10.643 2.511 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.945 -8.729 5.408 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.305 -12.168 1.973 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.799 -10.320 4.915 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.549 -11.917 2.972 1.00 8.90 H new ATOM 76 N VAL A 5 1.209 -6.789 2.795 1.00 4.44 N ATOM 77 CA VAL A 5 0.198 -5.784 3.056 1.00 3.87 C ATOM 78 C VAL A 5 -0.826 -6.385 4.000 1.00 4.93 C ATOM 79 O VAL A 5 -1.527 -7.367 3.706 1.00 6.84 O ATOM 80 CB VAL A 5 -0.507 -5.248 1.773 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.839 -4.426 2.041 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.578 -4.392 1.042 1.00 9.13 C ATOM 0 H VAL A 5 0.881 -7.599 2.269 1.00 4.44 H new ATOM 0 HA VAL A 5 0.696 -4.920 3.497 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.862 -6.082 1.167 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.259 -4.094 1.092 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.561 -5.061 2.555 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.613 -3.559 2.661 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.158 -3.978 0.125 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.900 -3.579 1.693 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.434 -5.021 0.797 1.00 9.13 H new ATOM 92 N LYS A 6 -0.972 -5.817 5.177 1.00 6.04 N ATOM 93 CA LYS A 6 -1.995 -6.215 6.103 1.00 6.12 C ATOM 94 C LYS A 6 -3.317 -5.543 5.992 1.00 6.57 C ATOM 95 O LYS A 6 -3.358 -4.354 6.143 1.00 5.76 O ATOM 96 CB LYS A 6 -1.423 -6.288 7.521 1.00 7.45 C ATOM 97 CG LYS A 6 -0.464 -7.397 7.624 1.00 11.12 C ATOM 98 CD LYS A 6 -0.186 -7.672 9.109 1.00 14.54 C ATOM 99 CE LYS A 6 1.070 -8.456 9.319 1.00 18.84 C ATOM 100 NZ LYS A 6 0.975 -9.911 9.041 1.00 20.55 N ATOM 0 H LYS A 6 -0.377 -5.061 5.515 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.286 -7.220 5.798 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.932 -5.348 7.772 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.230 -6.427 8.240 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.865 -8.289 7.143 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.462 -7.145 7.107 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.113 -6.725 9.644 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.027 -8.217 9.538 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.850 -8.034 8.685 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.391 -8.322 10.352 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.889 -10.257 8.686 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.729 -10.416 9.916 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.240 -10.080 8.325 1.00 20.55 H new ATOM 114 N THR A 7 -4.359 -6.330 5.745 1.00 7.41 N ATOM 115 CA THR A 7 -5.741 -5.909 5.911 1.00 7.48 C ATOM 116 C THR A 7 -6.222 -5.712 7.332 1.00 8.75 C ATOM 117 O THR A 7 -5.564 -6.246 8.226 1.00 8.58 O ATOM 118 CB THR A 7 -6.714 -6.642 5.017 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.191 -7.842 5.654 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.103 -6.871 3.665 1.00 9.17 C ATOM 0 H THR A 7 -4.263 -7.292 5.419 1.00 7.41 H new ATOM 0 HA THR A 7 -5.723 -4.884 5.540 1.00 7.48 H new ATOM 0 HB THR A 7 -7.598 -6.026 4.853 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.821 -8.300 5.059 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.813 -7.400 3.030 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.854 -5.912 3.211 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.197 -7.468 3.771 1.00 9.17 H new ATOM 128 N LEU A 8 -7.233 -4.870 7.585 1.00 9.84 N ATOM 129 CA LEU A 8 -8.018 -4.765 8.863 1.00 14.15 C ATOM 130 C LEU A 8 -8.754 -6.050 9.111 1.00 17.37 C ATOM 131 O LEU A 8 -8.983 -6.456 10.230 1.00 17.01 O ATOM 132 CB LEU A 8 -8.919 -3.503 8.764 1.00 16.63 C ATOM 133 CG LEU A 8 -8.344 -2.189 9.025 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.549 -1.225 9.244 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.312 -2.140 10.210 1.00 18.59 C ATOM 0 H LEU A 8 -7.556 -4.204 6.883 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.379 -4.633 9.736 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.341 -3.481 7.759 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.750 -3.640 9.456 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.735 -1.889 8.172 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.179 -0.220 9.445 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.171 -1.211 8.349 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.141 -1.570 10.092 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.940 -1.122 10.327 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.801 -2.456 11.132 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.478 -2.808 9.994 1.00 18.59 H new ATOM 147 N THR A 9 -9.249 -6.720 8.028 1.00 18.33 N ATOM 148 CA THR A 9 -10.090 -7.896 8.113 1.00 19.24 C ATOM 149 C THR A 9 -9.410 -9.259 7.975 1.00 19.48 C ATOM 150 O THR A 9 -10.109 -10.274 7.786 1.00 23.14 O ATOM 151 CB THR A 9 -11.165 -7.884 7.094 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.602 -7.522 5.800 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.139 -6.759 7.418 1.00 19.70 C ATOM 0 H THR A 9 -9.057 -6.432 7.068 1.00 18.33 H new ATOM 0 HA THR A 9 -10.456 -7.809 9.136 1.00 19.24 H new ATOM 0 HB THR A 9 -11.639 -8.866 7.082 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.312 -7.515 5.125 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.935 -6.741 6.674 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.570 -6.924 8.406 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.611 -5.806 7.407 1.00 19.70 H new ATOM 161 N GLY A 10 -8.085 -9.325 8.233 1.00 19.43 N ATOM 162 CA GLY A 10 -7.426 -10.545 8.731 1.00 18.74 C ATOM 163 C GLY A 10 -6.657 -11.230 7.666 1.00 17.62 C ATOM 164 O GLY A 10 -6.149 -12.354 7.848 1.00 19.74 O ATOM 0 H GLY A 10 -7.449 -8.538 8.102 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.758 -10.287 9.553 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.177 -11.226 9.132 1.00 18.74 H new ATOM 168 N LYS A 11 -6.567 -10.531 6.485 1.00 13.56 N ATOM 169 CA LYS A 11 -5.744 -10.984 5.410 1.00 11.91 C ATOM 170 C LYS A 11 -4.278 -10.388 5.459 1.00 10.18 C ATOM 171 O LYS A 11 -4.190 -9.240 5.880 1.00 9.10 O ATOM 172 CB LYS A 11 -6.362 -10.691 3.943 1.00 13.43 C ATOM 173 CG LYS A 11 -5.676 -11.296 2.694 1.00 16.69 C ATOM 174 CD LYS A 11 -6.433 -11.183 1.343 1.00 17.92 C ATOM 175 CE LYS A 11 -7.804 -11.799 1.237 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.247 -11.940 -0.184 1.00 21.93 N ATOM 0 H LYS A 11 -7.068 -9.663 6.297 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.704 -12.063 5.561 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.395 -11.037 3.948 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.389 -9.610 3.810 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.704 -10.817 2.577 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.490 -12.352 2.889 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.525 -10.124 1.101 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -5.806 -11.632 0.573 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.799 -12.779 1.714 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.521 -11.184 1.781 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.238 -11.637 -0.270 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.649 -11.347 -0.794 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.162 -12.934 -0.477 1.00 21.93 H new ATOM 190 N THR A 12 -3.210 -11.148 5.155 1.00 9.63 N ATOM 191 CA THR A 12 -1.876 -10.619 4.857 1.00 9.85 C ATOM 192 C THR A 12 -1.483 -10.917 3.389 1.00 11.66 C ATOM 193 O THR A 12 -1.333 -12.046 3.078 1.00 12.33 O ATOM 194 CB THR A 12 -0.783 -11.188 5.812 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.072 -10.875 7.139 1.00 10.91 O ATOM 196 CG2 THR A 12 0.577 -10.490 5.565 1.00 9.63 C ATOM 0 H THR A 12 -3.256 -12.166 5.110 1.00 9.63 H new ATOM 0 HA THR A 12 -1.928 -9.541 5.012 1.00 9.85 H new ATOM 0 HB THR A 12 -0.752 -12.262 5.626 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.760 -11.599 7.721 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.326 -10.902 6.242 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.889 -10.656 4.534 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.475 -9.420 5.745 1.00 9.63 H new ATOM 204 N ILE A 13 -1.329 -9.900 2.483 1.00 10.42 N ATOM 205 CA ILE A 13 -1.205 -10.037 1.052 1.00 11.84 C ATOM 206 C ILE A 13 0.280 -10.034 0.792 1.00 10.55 C ATOM 207 O ILE A 13 0.907 -9.046 1.166 1.00 11.92 O ATOM 208 CB ILE A 13 -1.925 -8.925 0.214 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.251 -8.582 0.842 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.049 -9.455 -1.241 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.910 -7.340 0.323 1.00 16.46 C ATOM 0 H ILE A 13 -1.290 -8.925 2.780 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.703 -10.951 0.729 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.359 -7.994 0.197 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.931 -9.421 0.695 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.107 -8.473 1.917 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.547 -8.708 -1.859 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.055 -9.654 -1.642 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.632 -10.376 -1.244 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.856 -7.186 0.842 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.258 -6.483 0.495 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.095 -7.446 -0.746 1.00 16.46 H new ATOM 223 N THR A 14 0.863 -11.004 0.100 1.00 9.39 N ATOM 224 CA THR A 14 2.223 -10.880 -0.423 1.00 9.63 C ATOM 225 C THR A 14 2.220 -10.332 -1.787 1.00 11.20 C ATOM 226 O THR A 14 1.524 -10.841 -2.620 1.00 11.63 O ATOM 227 CB THR A 14 2.863 -12.304 -0.428 1.00 10.38 C ATOM 228 OG1 THR A 14 2.859 -12.873 0.854 1.00 16.30 O ATOM 229 CG2 THR A 14 4.302 -12.285 -0.965 1.00 11.66 C ATOM 0 H THR A 14 0.413 -11.894 -0.115 1.00 9.39 H new ATOM 0 HA THR A 14 2.795 -10.197 0.205 1.00 9.63 H new ATOM 0 HB THR A 14 2.249 -12.912 -1.093 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.381 -12.310 1.463 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.709 -13.296 -0.951 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.304 -11.907 -1.987 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.916 -11.638 -0.338 1.00 11.66 H new ATOM 237 N LEU A 15 3.008 -9.279 -2.088 1.00 8.29 N ATOM 238 CA LEU A 15 3.135 -8.640 -3.358 1.00 9.03 C ATOM 239 C LEU A 15 4.581 -8.589 -3.732 1.00 8.59 C ATOM 240 O LEU A 15 5.393 -8.267 -2.844 1.00 7.79 O ATOM 241 CB LEU A 15 2.573 -7.182 -3.329 1.00 11.08 C ATOM 242 CG LEU A 15 1.223 -6.980 -2.648 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.781 -5.504 -2.631 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.072 -7.722 -3.380 1.00 15.27 C ATOM 0 H LEU A 15 3.602 -8.844 -1.382 1.00 8.29 H new ATOM 0 HA LEU A 15 2.561 -9.214 -4.085 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.304 -6.546 -2.830 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.492 -6.829 -4.357 1.00 11.08 H new ATOM 0 HG LEU A 15 1.382 -7.366 -1.641 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.186 -5.419 -2.135 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.519 -4.909 -2.092 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.697 -5.138 -3.654 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.867 -7.546 -2.855 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.008 -7.351 -4.402 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.282 -8.791 -3.398 1.00 15.27 H new ATOM 256 N GLU A 16 5.005 -8.984 -4.962 1.00 11.04 N ATOM 257 CA GLU A 16 6.329 -8.754 -5.458 1.00 11.50 C ATOM 258 C GLU A 16 6.494 -7.371 -6.143 1.00 10.13 C ATOM 259 O GLU A 16 5.610 -7.003 -6.912 1.00 9.83 O ATOM 260 CB GLU A 16 6.652 -9.860 -6.486 1.00 17.22 C ATOM 261 CG GLU A 16 8.054 -9.850 -7.150 1.00 23.33 C ATOM 262 CD GLU A 16 9.194 -9.727 -6.199 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.325 -10.627 -5.323 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.053 -8.830 -6.407 1.00 28.86 O ATOM 0 H GLU A 16 4.404 -9.476 -5.623 1.00 11.04 H new ATOM 0 HA GLU A 16 7.010 -8.770 -4.607 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.523 -10.823 -5.992 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.906 -9.807 -7.279 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.175 -10.769 -7.724 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.099 -9.023 -7.859 1.00 23.33 H new ATOM 271 N VAL A 17 7.530 -6.659 -5.685 1.00 8.99 N ATOM 272 CA VAL A 17 7.685 -5.252 -6.120 1.00 8.85 C ATOM 273 C VAL A 17 9.146 -4.914 -6.416 1.00 8.04 C ATOM 274 O VAL A 17 10.025 -5.654 -6.066 1.00 8.99 O ATOM 275 CB VAL A 17 7.176 -4.223 -5.010 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.673 -4.302 -4.780 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.965 -4.468 -3.713 1.00 10.54 C ATOM 0 H VAL A 17 8.245 -7.004 -5.045 1.00 8.99 H new ATOM 0 HA VAL A 17 7.081 -5.156 -7.022 1.00 8.85 H new ATOM 0 HB VAL A 17 7.360 -3.209 -5.365 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.383 -3.581 -4.016 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.150 -4.075 -5.709 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.408 -5.306 -4.450 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.628 -3.772 -2.945 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.799 -5.491 -3.374 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.028 -4.316 -3.900 1.00 10.54 H new ATOM 287 N GLU A 18 9.411 -3.762 -7.034 1.00 7.29 N ATOM 288 CA GLU A 18 10.766 -3.178 -7.114 1.00 7.08 C ATOM 289 C GLU A 18 10.731 -1.836 -6.334 1.00 6.45 C ATOM 290 O GLU A 18 9.671 -1.242 -6.166 1.00 5.28 O ATOM 291 CB GLU A 18 11.182 -2.922 -8.576 1.00 10.28 C ATOM 292 CG GLU A 18 11.457 -4.250 -9.302 1.00 12.65 C ATOM 293 CD GLU A 18 12.586 -5.080 -8.796 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.682 -4.435 -8.685 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.504 -6.308 -8.587 1.00 18.17 O ATOM 0 H GLU A 18 8.696 -3.201 -7.497 1.00 7.29 H new ATOM 0 HA GLU A 18 11.494 -3.868 -6.688 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.394 -2.375 -9.093 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.074 -2.296 -8.602 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.549 -4.852 -9.260 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.645 -4.028 -10.353 1.00 12.65 H new ATOM 302 N PRO A 19 11.827 -1.284 -5.784 1.00 7.24 N ATOM 303 CA PRO A 19 11.688 -0.110 -4.883 1.00 7.07 C ATOM 304 C PRO A 19 11.139 1.185 -5.574 1.00 6.65 C ATOM 305 O PRO A 19 10.674 2.068 -4.860 1.00 6.37 O ATOM 306 CB PRO A 19 13.096 0.093 -4.401 1.00 7.61 C ATOM 307 CG PRO A 19 13.694 -1.309 -4.287 1.00 8.16 C ATOM 308 CD PRO A 19 13.046 -2.109 -5.392 1.00 7.49 C ATOM 0 HA PRO A 19 10.953 -0.295 -4.099 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.665 0.707 -5.099 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.112 0.606 -3.439 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.778 -1.285 -4.402 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.487 -1.747 -3.311 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.723 -2.245 -6.235 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.761 -3.104 -5.049 1.00 7.49 H new ATOM 316 N SER A 20 11.340 1.257 -6.887 1.00 6.80 N ATOM 317 CA SER A 20 10.898 2.359 -7.746 1.00 6.28 C ATOM 318 C SER A 20 9.459 2.310 -8.063 1.00 8.45 C ATOM 319 O SER A 20 8.926 3.262 -8.609 1.00 7.26 O ATOM 320 CB SER A 20 11.661 2.564 -9.092 1.00 8.57 C ATOM 321 OG SER A 20 11.846 1.230 -9.675 1.00 11.13 O ATOM 0 H SER A 20 11.831 0.527 -7.402 1.00 6.80 H new ATOM 0 HA SER A 20 11.139 3.209 -7.107 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.093 3.206 -9.765 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.622 3.050 -8.923 1.00 8.57 H new ATOM 0 HG SER A 20 12.322 1.309 -10.528 1.00 11.13 H new ATOM 327 N ASP A 21 8.720 1.239 -7.708 1.00 7.50 N ATOM 328 CA ASP A 21 7.272 1.194 -7.674 1.00 7.70 C ATOM 329 C ASP A 21 6.745 2.269 -6.778 1.00 7.08 C ATOM 330 O ASP A 21 7.306 2.564 -5.700 1.00 8.11 O ATOM 331 CB ASP A 21 6.765 -0.146 -7.101 1.00 11.00 C ATOM 332 CG ASP A 21 7.105 -1.336 -8.040 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.484 -1.095 -9.239 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.996 -2.498 -7.593 1.00 14.36 O ATOM 0 H ASP A 21 9.147 0.356 -7.429 1.00 7.50 H new ATOM 0 HA ASP A 21 6.927 1.322 -8.700 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.212 -0.316 -6.122 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.686 -0.094 -6.954 1.00 11.00 H new ATOM 339 N THR A 22 5.644 2.962 -7.145 1.00 5.37 N ATOM 340 CA THR A 22 5.050 4.056 -6.396 1.00 6.01 C ATOM 341 C THR A 22 3.938 3.509 -5.489 1.00 8.01 C ATOM 342 O THR A 22 3.394 2.453 -5.698 1.00 8.11 O ATOM 343 CB THR A 22 4.411 5.206 -7.261 1.00 8.92 C ATOM 344 OG1 THR A 22 3.495 4.759 -8.283 1.00 10.22 O ATOM 345 CG2 THR A 22 5.550 5.932 -7.994 1.00 9.65 C ATOM 0 H THR A 22 5.137 2.755 -8.006 1.00 5.37 H new ATOM 0 HA THR A 22 5.884 4.494 -5.847 1.00 6.01 H new ATOM 0 HB THR A 22 3.849 5.828 -6.564 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.144 5.534 -8.770 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.137 6.736 -8.603 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.244 6.349 -7.265 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.078 5.226 -8.635 1.00 9.65 H new ATOM 353 N ILE A 23 3.460 4.350 -4.518 1.00 8.32 N ATOM 354 CA ILE A 23 2.335 3.921 -3.697 1.00 9.92 C ATOM 355 C ILE A 23 1.078 3.671 -4.437 1.00 10.01 C ATOM 356 O ILE A 23 0.429 2.679 -4.174 1.00 8.71 O ATOM 357 CB ILE A 23 2.187 4.856 -2.513 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.217 4.466 -1.358 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.777 4.792 -1.884 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.750 4.667 -1.578 1.00 12.30 C ATOM 0 H ILE A 23 3.829 5.278 -4.309 1.00 8.32 H new ATOM 0 HA ILE A 23 2.570 2.926 -3.319 1.00 9.92 H new ATOM 0 HB ILE A 23 2.375 5.857 -2.901 1.00 10.78 H new ATOM 0 HG12 ILE A 23 2.940 5.035 -0.471 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.058 3.413 -1.124 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.723 5.480 -1.040 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.033 5.073 -2.629 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.579 3.778 -1.538 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.290 4.348 -0.687 1.00 12.30 H new ATOM 0 HD12 ILE A 23 5.076 4.074 -2.432 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.955 5.720 -1.769 1.00 12.30 H new ATOM 372 N GLU A 24 0.739 4.507 -5.412 1.00 9.54 N ATOM 373 CA GLU A 24 -0.340 4.243 -6.367 1.00 11.81 C ATOM 374 C GLU A 24 -0.218 2.918 -7.111 1.00 11.14 C ATOM 375 O GLU A 24 -1.138 2.165 -7.185 1.00 10.62 O ATOM 376 CB GLU A 24 -0.469 5.467 -7.277 1.00 19.24 C ATOM 377 CG GLU A 24 -1.780 5.450 -8.053 1.00 27.76 C ATOM 378 CD GLU A 24 -1.875 6.595 -8.968 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.222 6.548 -10.051 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.646 7.546 -8.795 1.00 36.51 O ATOM 0 H GLU A 24 1.209 5.399 -5.566 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.272 4.102 -5.819 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.412 6.375 -6.677 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.368 5.493 -7.975 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.857 4.522 -8.620 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.618 5.469 -7.356 1.00 27.76 H new ATOM 387 N ASN A 25 1.056 2.606 -7.506 1.00 9.43 N ATOM 388 CA ASN A 25 1.359 1.370 -8.204 1.00 10.96 C ATOM 389 C ASN A 25 1.100 0.120 -7.340 1.00 9.68 C ATOM 390 O ASN A 25 0.423 -0.813 -7.805 1.00 9.33 O ATOM 391 CB ASN A 25 2.819 1.386 -8.709 1.00 16.78 C ATOM 392 CG ASN A 25 3.139 0.171 -9.584 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.927 -0.701 -9.304 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.402 0.011 -10.718 1.00 24.70 N ATOM 0 H ASN A 25 1.865 3.205 -7.342 1.00 9.43 H new ATOM 0 HA ASN A 25 0.682 1.309 -9.056 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.995 2.299 -9.278 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.497 1.406 -7.856 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.527 -0.821 -11.294 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.725 0.724 -10.991 1.00 24.70 H new ATOM 401 N VAL A 26 1.556 0.169 -6.075 1.00 6.52 N ATOM 402 CA VAL A 26 1.356 -0.826 -5.023 1.00 5.53 C ATOM 403 C VAL A 26 -0.123 -1.065 -4.622 1.00 4.42 C ATOM 404 O VAL A 26 -0.618 -2.143 -4.402 1.00 3.40 O ATOM 405 CB VAL A 26 2.260 -0.623 -3.769 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.964 -1.786 -2.701 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.656 -0.634 -4.210 1.00 8.12 C ATOM 0 H VAL A 26 2.110 0.960 -5.746 1.00 6.52 H new ATOM 0 HA VAL A 26 1.688 -1.746 -5.504 1.00 5.53 H new ATOM 0 HB VAL A 26 2.051 0.329 -3.282 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.596 -1.644 -1.824 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.916 -1.748 -2.403 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.179 -2.756 -3.150 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.310 -0.494 -3.350 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.880 -1.589 -4.684 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.818 0.173 -4.925 1.00 8.12 H new ATOM 417 N LYS A 27 -0.959 0.004 -4.512 1.00 2.64 N ATOM 418 CA LYS A 27 -2.446 -0.073 -4.412 1.00 4.14 C ATOM 419 C LYS A 27 -3.101 -0.627 -5.713 1.00 5.58 C ATOM 420 O LYS A 27 -4.065 -1.379 -5.644 1.00 4.11 O ATOM 421 CB LYS A 27 -3.163 1.242 -4.070 1.00 3.97 C ATOM 422 CG LYS A 27 -2.692 1.810 -2.708 1.00 7.45 C ATOM 423 CD LYS A 27 -3.376 3.142 -2.308 1.00 9.02 C ATOM 424 CE LYS A 27 -3.079 4.378 -3.181 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.804 5.549 -2.697 1.00 15.47 N ATOM 0 H LYS A 27 -0.612 0.963 -4.490 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.581 -0.755 -3.573 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.975 1.974 -4.855 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.240 1.074 -4.042 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.882 1.069 -1.932 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.614 1.964 -2.744 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.454 2.981 -2.307 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.087 3.375 -1.283 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.008 4.582 -3.176 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.360 4.174 -4.214 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.854 6.263 -3.452 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.767 5.271 -2.419 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.308 5.949 -1.875 1.00 15.47 H new ATOM 439 N ALA A 28 -2.597 -0.329 -6.899 1.00 6.61 N ATOM 440 CA ALA A 28 -3.117 -0.965 -8.134 1.00 7.74 C ATOM 441 C ALA A 28 -2.825 -2.531 -8.181 1.00 9.17 C ATOM 442 O ALA A 28 -3.613 -3.375 -8.646 1.00 11.45 O ATOM 443 CB ALA A 28 -2.491 -0.243 -9.381 1.00 7.68 C ATOM 0 H ALA A 28 -1.839 0.337 -7.050 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.201 -0.855 -8.145 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.867 -0.703 -10.295 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.766 0.812 -9.366 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.405 -0.336 -9.348 1.00 7.68 H new ATOM 449 N LYS A 29 -1.658 -2.908 -7.563 1.00 8.96 N ATOM 450 CA LYS A 29 -1.388 -4.247 -7.253 1.00 7.90 C ATOM 451 C LYS A 29 -2.267 -4.934 -6.213 1.00 6.92 C ATOM 452 O LYS A 29 -2.651 -6.074 -6.413 1.00 6.87 O ATOM 453 CB LYS A 29 0.130 -4.344 -6.826 1.00 10.28 C ATOM 454 CG LYS A 29 0.685 -5.771 -6.934 1.00 14.94 C ATOM 455 CD LYS A 29 2.190 -5.878 -7.141 1.00 19.69 C ATOM 456 CE LYS A 29 2.662 -5.739 -8.627 1.00 22.63 C ATOM 457 NZ LYS A 29 4.080 -5.562 -8.694 1.00 24.98 N ATOM 0 H LYS A 29 -0.922 -2.256 -7.292 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.626 -4.799 -8.162 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.723 -3.679 -7.454 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.238 -3.993 -5.800 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.422 -6.314 -6.026 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.186 -6.274 -7.762 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.680 -5.107 -6.546 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.528 -6.840 -6.756 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.375 -6.627 -9.189 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.162 -4.890 -9.094 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.456 -6.080 -9.514 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.299 -4.550 -8.794 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.517 -5.927 -7.824 1.00 24.98 H new ATOM 471 N ILE A 30 -2.706 -4.210 -5.146 1.00 4.57 N ATOM 472 CA ILE A 30 -3.815 -4.679 -4.360 1.00 5.58 C ATOM 473 C ILE A 30 -5.134 -4.754 -5.148 1.00 7.26 C ATOM 474 O ILE A 30 -5.814 -5.733 -5.045 1.00 9.46 O ATOM 475 CB ILE A 30 -4.002 -3.837 -3.087 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.823 -3.954 -2.076 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.358 -4.219 -2.432 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.709 -2.740 -1.184 1.00 2.00 C ATOM 0 H ILE A 30 -2.302 -3.325 -4.839 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.558 -5.699 -4.074 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.009 -2.787 -3.380 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.962 -4.843 -1.460 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.890 -4.089 -2.623 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.504 -3.629 -1.527 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.169 -4.018 -3.131 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.353 -5.279 -2.177 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.873 -2.870 -0.497 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.542 -1.853 -1.796 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.630 -2.619 -0.614 1.00 2.00 H new ATOM 490 N GLN A 31 -5.445 -3.812 -6.033 1.00 7.06 N ATOM 491 CA GLN A 31 -6.596 -3.998 -6.934 1.00 8.67 C ATOM 492 C GLN A 31 -6.458 -5.284 -7.813 1.00 10.90 C ATOM 493 O GLN A 31 -7.433 -6.003 -8.020 1.00 9.63 O ATOM 494 CB GLN A 31 -6.795 -2.722 -7.857 1.00 9.12 C ATOM 495 CG GLN A 31 -8.145 -2.833 -8.700 1.00 10.76 C ATOM 496 CD GLN A 31 -8.204 -1.691 -9.706 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.112 -0.826 -9.635 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.195 -1.563 -10.638 1.00 14.76 N ATOM 0 H GLN A 31 -4.939 -2.934 -6.151 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.477 -4.125 -6.304 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.819 -1.823 -7.241 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.946 -2.622 -8.534 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.187 -3.791 -9.217 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.007 -2.792 -8.035 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.459 -2.267 -10.693 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.185 -0.764 -11.272 1.00 14.76 H new ATOM 507 N ASP A 32 -5.261 -5.554 -8.306 1.00 10.93 N ATOM 508 CA ASP A 32 -4.943 -6.749 -9.090 1.00 14.01 C ATOM 509 C ASP A 32 -5.220 -7.997 -8.321 1.00 14.04 C ATOM 510 O ASP A 32 -5.658 -8.967 -8.910 1.00 13.39 O ATOM 511 CB ASP A 32 -3.424 -6.710 -9.635 1.00 18.01 C ATOM 512 CG ASP A 32 -3.301 -7.416 -10.931 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.757 -6.891 -11.973 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.734 -8.526 -10.912 1.00 26.29 O ATOM 0 H ASP A 32 -4.460 -4.937 -8.172 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.599 -6.754 -9.960 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.103 -5.675 -9.750 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.760 -7.170 -8.903 1.00 18.01 H new ATOM 519 N LYS A 33 -5.090 -7.967 -7.003 1.00 14.22 N ATOM 520 CA LYS A 33 -5.523 -9.082 -6.166 1.00 14.00 C ATOM 521 C LYS A 33 -6.998 -9.122 -5.718 1.00 12.37 C ATOM 522 O LYS A 33 -7.674 -10.118 -5.921 1.00 12.17 O ATOM 523 CB LYS A 33 -4.610 -9.018 -4.897 1.00 18.62 C ATOM 524 CG LYS A 33 -3.139 -9.231 -5.039 1.00 24.00 C ATOM 525 CD LYS A 33 -2.810 -10.777 -5.242 1.00 27.61 C ATOM 526 CE LYS A 33 -1.352 -11.123 -5.069 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.146 -12.536 -5.370 1.00 30.06 N ATOM 0 H LYS A 33 -4.688 -7.184 -6.488 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.435 -9.981 -6.776 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.756 -8.040 -4.439 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.981 -9.760 -4.190 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.764 -8.660 -5.888 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.625 -8.858 -4.153 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.397 -11.359 -4.532 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.128 -11.077 -6.240 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.741 -10.507 -5.729 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.035 -10.908 -4.048 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.141 -12.773 -5.250 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.718 -13.116 -4.723 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.432 -12.727 -6.351 1.00 30.06 H new ATOM 541 N GLU A 34 -7.521 -7.988 -5.194 1.00 10.11 N ATOM 542 CA GLU A 34 -8.761 -7.952 -4.514 1.00 10.07 C ATOM 543 C GLU A 34 -9.959 -7.251 -5.152 1.00 9.32 C ATOM 544 O GLU A 34 -11.074 -7.287 -4.662 1.00 11.61 O ATOM 545 CB GLU A 34 -8.511 -7.151 -3.191 1.00 14.77 C ATOM 546 CG GLU A 34 -7.545 -7.791 -2.135 1.00 18.75 C ATOM 547 CD GLU A 34 -8.066 -9.048 -1.606 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.832 -9.000 -0.585 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.734 -10.164 -2.116 1.00 25.19 O ATOM 0 H GLU A 34 -7.059 -7.081 -5.252 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.041 -9.004 -4.454 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.116 -6.171 -3.459 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.475 -6.985 -2.710 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.572 -7.967 -2.594 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.389 -7.090 -1.315 1.00 18.75 H new ATOM 556 N GLY A 35 -9.710 -6.514 -6.305 1.00 7.22 N ATOM 557 CA GLY A 35 -10.718 -5.783 -7.047 1.00 6.29 C ATOM 558 C GLY A 35 -11.209 -4.430 -6.561 1.00 6.93 C ATOM 559 O GLY A 35 -12.160 -3.918 -7.114 1.00 7.41 O ATOM 0 H GLY A 35 -8.779 -6.437 -6.715 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.333 -5.641 -8.057 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.591 -6.431 -7.127 1.00 6.29 H new ATOM 563 N ILE A 36 -10.515 -3.867 -5.602 1.00 5.86 N ATOM 564 CA ILE A 36 -10.806 -2.603 -4.925 1.00 6.07 C ATOM 565 C ILE A 36 -10.046 -1.427 -5.556 1.00 6.36 C ATOM 566 O ILE A 36 -8.832 -1.544 -5.529 1.00 6.18 O ATOM 567 CB ILE A 36 -10.562 -2.717 -3.413 1.00 7.47 C ATOM 568 CG1 ILE A 36 -11.408 -3.869 -2.825 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.928 -1.359 -2.765 1.00 7.36 C ATOM 570 CD1 ILE A 36 -10.906 -4.213 -1.369 1.00 9.49 C ATOM 0 H ILE A 36 -9.667 -4.304 -5.240 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.866 -2.389 -5.063 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.516 -2.945 -3.207 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -12.460 -3.583 -2.799 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -11.333 -4.750 -3.463 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.763 -1.413 -1.689 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.302 -0.573 -3.189 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.976 -1.133 -2.961 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -11.506 -5.026 -0.960 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -9.860 -4.518 -1.407 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -11.004 -3.333 -0.733 1.00 9.49 H new ATOM 582 N PRO A 37 -10.556 -0.354 -6.193 1.00 8.65 N ATOM 583 CA PRO A 37 -9.722 0.723 -6.771 1.00 9.18 C ATOM 584 C PRO A 37 -8.683 1.244 -5.971 1.00 9.85 C ATOM 585 O PRO A 37 -8.900 1.280 -4.771 1.00 8.51 O ATOM 586 CB PRO A 37 -10.703 1.782 -7.194 1.00 11.42 C ATOM 587 CG PRO A 37 -12.010 1.003 -7.518 1.00 9.27 C ATOM 588 CD PRO A 37 -11.951 -0.160 -6.512 1.00 8.33 C ATOM 0 HA PRO A 37 -9.140 0.304 -7.592 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.864 2.512 -6.401 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.343 2.330 -8.064 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.898 1.620 -7.376 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.029 0.649 -8.549 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.525 0.073 -5.615 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.381 -1.066 -6.940 1.00 8.33 H new ATOM 596 N PRO A 38 -7.517 1.637 -6.404 1.00 8.71 N ATOM 597 CA PRO A 38 -6.529 2.348 -5.649 1.00 9.08 C ATOM 598 C PRO A 38 -7.007 3.656 -5.104 1.00 9.28 C ATOM 599 O PRO A 38 -6.443 4.013 -4.065 1.00 6.50 O ATOM 600 CB PRO A 38 -5.363 2.428 -6.600 1.00 10.31 C ATOM 601 CG PRO A 38 -6.004 2.547 -7.926 1.00 10.81 C ATOM 602 CD PRO A 38 -7.184 1.611 -7.910 1.00 12.00 C ATOM 0 HA PRO A 38 -6.254 1.844 -4.722 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -4.727 3.286 -6.384 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.733 1.541 -6.537 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.323 3.572 -8.113 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.307 2.280 -8.720 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.009 1.968 -8.527 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.930 0.612 -8.265 1.00 12.00 H new ATOM 610 N ASP A 39 -8.014 4.252 -5.730 1.00 11.20 N ATOM 611 CA ASP A 39 -8.779 5.436 -5.226 1.00 14.96 C ATOM 612 C ASP A 39 -9.302 5.251 -3.856 1.00 13.99 C ATOM 613 O ASP A 39 -9.359 6.144 -3.020 1.00 13.75 O ATOM 614 CB ASP A 39 -9.984 5.772 -6.152 1.00 24.16 C ATOM 615 CG ASP A 39 -9.355 6.085 -7.535 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.074 5.174 -8.273 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.259 7.317 -7.885 1.00 34.22 O ATOM 0 H ASP A 39 -8.350 3.929 -6.637 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.058 6.254 -5.220 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.678 4.934 -6.215 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.547 6.625 -5.773 1.00 24.16 H new ATOM 622 N GLN A 40 -9.802 4.056 -3.594 1.00 11.60 N ATOM 623 CA GLN A 40 -10.603 3.517 -2.440 1.00 10.76 C ATOM 624 C GLN A 40 -9.729 2.953 -1.335 1.00 8.01 C ATOM 625 O GLN A 40 -10.239 2.460 -0.347 1.00 8.96 O ATOM 626 CB GLN A 40 -11.659 2.410 -2.880 1.00 11.14 C ATOM 627 CG GLN A 40 -12.808 3.026 -3.746 1.00 14.85 C ATOM 628 CD GLN A 40 -14.035 2.135 -3.786 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.412 1.682 -4.896 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.685 1.852 -2.621 1.00 18.16 N ATOM 0 H GLN A 40 -9.647 3.309 -4.271 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.145 4.381 -2.056 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.153 1.628 -3.447 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.083 1.937 -1.994 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.082 4.001 -3.343 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.447 3.191 -4.761 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.346 2.240 -1.741 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.510 1.252 -2.630 1.00 18.16 H new ATOM 639 N GLN A 41 -8.410 3.104 -1.480 1.00 6.52 N ATOM 640 CA GLN A 41 -7.451 2.532 -0.652 1.00 3.87 C ATOM 641 C GLN A 41 -6.472 3.560 -0.159 1.00 4.79 C ATOM 642 O GLN A 41 -5.997 4.498 -0.855 1.00 6.34 O ATOM 643 CB GLN A 41 -6.660 1.546 -1.532 1.00 4.20 C ATOM 644 CG GLN A 41 -7.324 0.250 -2.042 1.00 3.20 C ATOM 645 CD GLN A 41 -6.249 -0.646 -2.612 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.173 -0.896 -2.066 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.574 -1.185 -3.818 1.00 7.13 N ATOM 0 H GLN A 41 -8.004 3.665 -2.229 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.937 2.066 0.206 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.317 2.098 -2.407 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.772 1.254 -0.971 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.846 -0.254 -1.228 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.069 0.480 -2.804 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.471 -0.963 -4.251 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.921 -1.811 -4.290 1.00 7.13 H new ATOM 656 N ARG A 42 -5.996 3.393 1.120 1.00 5.73 N ATOM 657 CA ARG A 42 -4.951 4.163 1.755 1.00 6.97 C ATOM 658 C ARG A 42 -4.049 3.225 2.528 1.00 7.15 C ATOM 659 O ARG A 42 -4.516 2.191 3.066 1.00 7.33 O ATOM 660 CB ARG A 42 -5.408 5.173 2.769 1.00 13.23 C ATOM 661 CG ARG A 42 -6.294 6.354 2.192 1.00 21.27 C ATOM 662 CD ARG A 42 -6.749 7.370 3.207 1.00 26.14 C ATOM 663 NE ARG A 42 -7.398 8.424 2.427 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.600 8.871 2.652 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.448 8.186 3.386 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.044 10.012 2.134 1.00 36.39 N ATOM 0 H ARG A 42 -6.372 2.674 1.738 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.474 4.694 0.931 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.978 4.657 3.542 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.530 5.601 3.253 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.726 6.868 1.417 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.173 5.926 1.711 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.440 6.928 3.924 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.907 7.763 3.776 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.874 8.836 1.655 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.168 7.291 3.788 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.386 8.549 3.554 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.436 10.571 1.536 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.993 10.328 2.334 1.00 36.39 H new ATOM 680 N LEU A 43 -2.757 3.586 2.576 1.00 4.65 N ATOM 681 CA LEU A 43 -1.772 2.746 3.161 1.00 3.51 C ATOM 682 C LEU A 43 -1.197 3.487 4.325 1.00 5.56 C ATOM 683 O LEU A 43 -0.828 4.679 4.276 1.00 4.19 O ATOM 684 CB LEU A 43 -0.680 2.395 2.211 1.00 3.74 C ATOM 685 CG LEU A 43 -1.058 1.533 1.089 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.103 1.458 0.109 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.475 0.095 1.578 1.00 6.41 C ATOM 0 H LEU A 43 -2.396 4.466 2.206 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.240 1.808 3.460 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.264 3.319 1.809 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.116 1.903 2.769 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.928 1.963 0.592 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.170 0.818 -0.730 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.335 2.458 -0.258 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.977 1.044 0.612 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.749 -0.516 0.718 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.638 -0.368 2.101 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.327 0.173 2.254 1.00 6.41 H new ATOM 699 N ILE A 44 -1.067 2.714 5.404 1.00 4.58 N ATOM 700 CA ILE A 44 -0.513 3.162 6.698 1.00 5.55 C ATOM 701 C ILE A 44 0.790 2.407 7.061 1.00 5.46 C ATOM 702 O ILE A 44 0.922 1.195 6.905 1.00 6.04 O ATOM 703 CB ILE A 44 -1.548 3.018 7.867 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.905 3.612 7.604 1.00 10.31 C ATOM 705 CG2 ILE A 44 -1.016 3.706 9.138 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.964 5.109 7.409 1.00 13.90 C ATOM 0 H ILE A 44 -1.349 1.734 5.410 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.281 4.220 6.573 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.668 1.940 7.977 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.318 3.136 6.714 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.558 3.351 8.437 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.744 3.599 9.942 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.076 3.243 9.436 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.851 4.765 8.937 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.995 5.412 7.228 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.591 5.607 8.304 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.348 5.389 6.555 1.00 13.90 H new ATOM 718 N PHE A 45 1.818 3.196 7.374 1.00 6.75 N ATOM 719 CA PHE A 45 3.141 2.686 7.711 1.00 4.70 C ATOM 720 C PHE A 45 4.013 3.637 8.519 1.00 6.34 C ATOM 721 O PHE A 45 3.945 4.856 8.307 1.00 5.45 O ATOM 722 CB PHE A 45 3.826 2.190 6.391 1.00 5.51 C ATOM 723 CG PHE A 45 5.343 2.022 6.411 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.816 0.751 6.872 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.259 3.070 6.222 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.143 0.568 7.102 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.594 2.869 6.475 1.00 6.64 C ATOM 728 CZ PHE A 45 8.087 1.620 6.864 1.00 6.84 C ATOM 0 H PHE A 45 1.752 4.214 7.400 1.00 6.75 H new ATOM 0 HA PHE A 45 3.012 1.851 8.399 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.384 1.231 6.121 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.575 2.892 5.596 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.121 -0.059 7.036 1.00 6.86 H new ATOM 0 HD2 PHE A 45 5.914 4.034 5.878 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.492 -0.386 7.470 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.280 3.697 6.371 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.147 1.453 6.982 1.00 6.84 H new ATOM 738 N ALA A 46 4.832 3.214 9.422 1.00 6.53 N ATOM 739 CA ALA A 46 5.719 4.039 10.220 1.00 7.15 C ATOM 740 C ALA A 46 5.064 5.223 10.894 1.00 9.00 C ATOM 741 O ALA A 46 5.550 6.370 10.992 1.00 11.15 O ATOM 742 CB ALA A 46 6.941 4.520 9.484 1.00 8.99 C ATOM 0 H ALA A 46 4.916 2.223 9.648 1.00 6.53 H new ATOM 0 HA ALA A 46 6.025 3.339 10.998 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.551 5.129 10.151 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.522 3.663 9.143 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.636 5.117 8.624 1.00 8.99 H new ATOM 748 N GLY A 47 3.869 4.903 11.479 1.00 9.35 N ATOM 749 CA GLY A 47 3.089 5.841 12.228 1.00 11.68 C ATOM 750 C GLY A 47 2.359 6.900 11.397 1.00 11.14 C ATOM 751 O GLY A 47 1.984 7.958 11.887 1.00 13.93 O ATOM 0 H GLY A 47 3.451 3.974 11.422 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.352 5.290 12.812 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.744 6.348 12.937 1.00 11.68 H new ATOM 755 N LYS A 48 2.249 6.673 10.051 1.00 10.47 N ATOM 756 CA LYS A 48 1.649 7.644 9.176 1.00 8.82 C ATOM 757 C LYS A 48 1.060 7.037 7.927 1.00 7.68 C ATOM 758 O LYS A 48 1.146 5.836 7.674 1.00 6.47 O ATOM 759 CB LYS A 48 2.664 8.759 8.796 1.00 9.74 C ATOM 760 CG LYS A 48 3.835 8.243 7.873 1.00 14.14 C ATOM 761 CD LYS A 48 5.010 9.125 7.800 1.00 16.32 C ATOM 762 CE LYS A 48 6.186 8.583 6.966 1.00 20.04 C ATOM 763 NZ LYS A 48 7.204 9.629 6.972 1.00 23.92 N ATOM 0 H LYS A 48 2.574 5.826 9.585 1.00 10.47 H new ATOM 0 HA LYS A 48 0.825 8.081 9.739 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.136 9.564 8.286 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.087 9.182 9.707 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.156 7.266 8.233 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.445 8.099 6.865 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.700 10.083 7.382 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.363 9.318 8.813 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.574 7.659 7.395 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.869 8.354 5.949 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.027 9.315 6.420 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.814 10.496 6.550 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.497 9.822 7.951 1.00 23.92 H new ATOM 777 N GLN A 49 0.413 7.897 7.198 1.00 8.89 N ATOM 778 CA GLN A 49 -0.206 7.532 5.922 1.00 7.18 C ATOM 779 C GLN A 49 0.817 7.763 4.755 1.00 8.23 C ATOM 780 O GLN A 49 1.422 8.800 4.703 1.00 9.70 O ATOM 781 CB GLN A 49 -1.487 8.324 5.645 1.00 11.67 C ATOM 782 CG GLN A 49 -2.354 7.801 4.519 1.00 15.82 C ATOM 783 CD GLN A 49 -3.243 8.955 3.988 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.015 9.448 4.838 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.207 9.254 2.693 1.00 20.67 N ATOM 0 H GLN A 49 0.290 8.876 7.456 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.481 6.479 5.983 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.083 8.345 6.557 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.213 9.354 5.419 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.731 7.406 3.717 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.976 6.979 4.874 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.534 8.791 2.081 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.852 9.946 2.311 1.00 20.67 H new ATOM 794 N LEU A 50 0.876 6.908 3.744 1.00 6.51 N ATOM 795 CA LEU A 50 1.627 6.998 2.529 1.00 7.41 C ATOM 796 C LEU A 50 0.929 7.926 1.558 1.00 8.27 C ATOM 797 O LEU A 50 -0.243 8.275 1.786 1.00 8.34 O ATOM 798 CB LEU A 50 2.035 5.633 1.986 1.00 7.13 C ATOM 799 CG LEU A 50 2.650 4.820 3.143 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.281 3.574 2.546 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.731 5.573 4.088 1.00 9.11 C ATOM 0 H LEU A 50 0.334 6.044 3.773 1.00 6.51 H new ATOM 0 HA LEU A 50 2.593 7.462 2.729 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.170 5.114 1.574 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.755 5.746 1.176 1.00 7.13 H new ATOM 0 HG LEU A 50 1.823 4.613 3.822 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.726 2.975 3.341 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.517 2.988 2.035 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.053 3.863 1.833 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.081 4.886 4.859 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.576 5.902 3.483 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.263 6.438 4.558 1.00 9.11 H new ATOM 813 N GLU A 51 1.620 8.336 0.490 1.00 9.43 N ATOM 814 CA GLU A 51 1.160 9.307 -0.487 1.00 11.90 C ATOM 815 C GLU A 51 1.499 8.757 -1.857 1.00 11.49 C ATOM 816 O GLU A 51 2.570 8.217 -1.980 1.00 9.88 O ATOM 817 CB GLU A 51 1.828 10.664 -0.389 1.00 16.56 C ATOM 818 CG GLU A 51 1.165 11.889 -1.132 1.00 26.06 C ATOM 819 CD GLU A 51 2.185 13.016 -1.164 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.354 13.685 -0.145 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.813 13.251 -2.262 1.00 32.13 O ATOM 0 H GLU A 51 2.553 7.981 0.281 1.00 9.43 H new ATOM 0 HA GLU A 51 0.095 9.455 -0.306 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.904 10.920 0.668 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.846 10.560 -0.766 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.872 11.610 -2.144 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.260 12.207 -0.614 1.00 26.06 H new ATOM 828 N ASP A 52 0.510 8.845 -2.773 1.00 12.71 N ATOM 829 CA ASP A 52 0.346 8.089 -3.965 1.00 16.56 C ATOM 830 C ASP A 52 1.506 8.202 -4.896 1.00 15.83 C ATOM 831 O ASP A 52 1.938 7.212 -5.470 1.00 17.21 O ATOM 832 CB ASP A 52 -0.925 8.538 -4.683 1.00 21.05 C ATOM 833 CG ASP A 52 -2.124 8.055 -3.919 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.320 8.462 -2.763 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.859 7.201 -4.483 1.00 25.82 O ATOM 0 H ASP A 52 -0.247 9.519 -2.655 1.00 12.71 H new ATOM 0 HA ASP A 52 0.275 7.042 -3.669 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.945 9.625 -4.765 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.942 8.141 -5.698 1.00 21.05 H new ATOM 840 N GLY A 53 1.953 9.420 -5.013 1.00 15.00 N ATOM 841 CA GLY A 53 2.963 9.758 -5.998 1.00 11.77 C ATOM 842 C GLY A 53 4.363 9.762 -5.511 1.00 11.10 C ATOM 843 O GLY A 53 5.236 10.584 -5.920 1.00 11.25 O ATOM 0 H GLY A 53 1.638 10.203 -4.441 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.888 9.052 -6.825 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.735 10.745 -6.400 1.00 11.77 H new ATOM 847 N ARG A 54 4.693 8.840 -4.603 1.00 8.53 N ATOM 848 CA ARG A 54 5.924 8.747 -3.860 1.00 9.05 C ATOM 849 C ARG A 54 6.254 7.303 -4.007 1.00 8.96 C ATOM 850 O ARG A 54 5.393 6.473 -4.262 1.00 11.60 O ATOM 851 CB ARG A 54 5.799 9.043 -2.301 1.00 7.97 C ATOM 852 CG ARG A 54 5.156 10.381 -1.883 1.00 9.62 C ATOM 853 CD ARG A 54 6.122 11.551 -2.102 1.00 12.20 C ATOM 854 NE ARG A 54 5.395 12.825 -1.924 1.00 18.23 N ATOM 855 CZ ARG A 54 5.945 13.972 -1.466 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.246 14.169 -1.523 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.166 14.845 -0.831 1.00 23.38 N ATOM 0 H ARG A 54 4.048 8.088 -4.360 1.00 8.53 H new ATOM 0 HA ARG A 54 6.645 9.476 -4.230 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.221 8.236 -1.850 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.799 9.000 -1.869 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.245 10.545 -2.458 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.866 10.336 -0.833 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.951 11.490 -1.396 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.551 11.501 -3.103 1.00 12.20 H new ATOM 0 HE ARG A 54 4.404 12.840 -2.165 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.854 13.451 -1.917 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.646 15.040 -1.173 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.175 14.642 -0.698 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.560 15.717 -0.477 1.00 23.38 H new ATOM 871 N THR A 55 7.553 6.920 -3.844 1.00 9.05 N ATOM 872 CA THR A 55 7.900 5.488 -4.118 1.00 9.03 C ATOM 873 C THR A 55 8.278 4.805 -2.841 1.00 8.15 C ATOM 874 O THR A 55 8.388 5.378 -1.777 1.00 5.91 O ATOM 875 CB THR A 55 9.130 5.341 -5.021 1.00 11.15 C ATOM 876 OG1 THR A 55 10.332 5.789 -4.468 1.00 11.95 O ATOM 877 CG2 THR A 55 9.019 5.884 -6.454 1.00 11.71 C ATOM 0 H THR A 55 8.322 7.522 -3.550 1.00 9.05 H new ATOM 0 HA THR A 55 7.020 5.057 -4.596 1.00 9.03 H new ATOM 0 HB THR A 55 9.150 4.254 -5.095 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.303 6.764 -4.369 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.958 5.715 -6.981 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.212 5.370 -6.976 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.808 6.953 -6.423 1.00 11.71 H new ATOM 885 N LEU A 56 8.503 3.472 -2.896 1.00 6.91 N ATOM 886 CA LEU A 56 8.928 2.696 -1.724 1.00 8.29 C ATOM 887 C LEU A 56 10.255 3.179 -1.215 1.00 8.05 C ATOM 888 O LEU A 56 10.510 3.237 0.001 1.00 10.17 O ATOM 889 CB LEU A 56 9.089 1.193 -2.038 1.00 6.60 C ATOM 890 CG LEU A 56 7.787 0.486 -2.447 1.00 7.73 C ATOM 891 CD1 LEU A 56 8.118 -1.000 -2.583 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.654 0.638 -1.425 1.00 8.64 C ATOM 0 H LEU A 56 8.395 2.917 -3.745 1.00 6.91 H new ATOM 0 HA LEU A 56 8.143 2.834 -0.980 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.818 1.078 -2.840 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.499 0.693 -1.161 1.00 6.60 H new ATOM 0 HG LEU A 56 7.431 0.939 -3.372 1.00 7.73 H new ATOM 0 HD11 LEU A 56 7.221 -1.547 -2.873 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.887 -1.133 -3.344 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.482 -1.380 -1.629 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.768 0.113 -1.783 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.966 0.215 -0.470 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.421 1.695 -1.294 1.00 8.64 H new ATOM 904 N SER A 57 11.167 3.582 -2.136 1.00 8.92 N ATOM 905 CA SER A 57 12.516 4.105 -1.851 1.00 9.00 C ATOM 906 C SER A 57 12.590 5.408 -1.069 1.00 9.44 C ATOM 907 O SER A 57 13.493 5.488 -0.275 1.00 10.91 O ATOM 908 CB SER A 57 13.351 4.284 -3.098 1.00 10.32 C ATOM 909 OG SER A 57 14.737 4.100 -2.965 1.00 13.59 O ATOM 0 H SER A 57 10.969 3.548 -3.136 1.00 8.92 H new ATOM 0 HA SER A 57 12.914 3.318 -1.211 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.987 3.587 -3.853 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.177 5.289 -3.482 1.00 10.32 H new ATOM 0 HG SER A 57 15.170 4.240 -3.833 1.00 13.59 H new ATOM 915 N ASP A 58 11.627 6.330 -1.307 1.00 9.11 N ATOM 916 CA ASP A 58 11.315 7.583 -0.639 1.00 7.91 C ATOM 917 C ASP A 58 10.966 7.379 0.772 1.00 9.12 C ATOM 918 O ASP A 58 11.310 8.175 1.597 1.00 8.61 O ATOM 919 CB ASP A 58 10.217 8.351 -1.300 1.00 8.41 C ATOM 920 CG ASP A 58 10.781 8.660 -2.716 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.878 9.270 -2.882 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.111 8.237 -3.685 1.00 11.70 O ATOM 0 H ASP A 58 10.975 6.176 -2.076 1.00 9.11 H new ATOM 0 HA ASP A 58 12.230 8.171 -0.711 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.297 7.768 -1.354 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.983 9.265 -0.754 1.00 8.41 H new ATOM 927 N TYR A 59 10.196 6.315 1.135 1.00 7.97 N ATOM 928 CA TYR A 59 9.745 6.150 2.440 1.00 8.45 C ATOM 929 C TYR A 59 10.619 5.241 3.313 1.00 10.98 C ATOM 930 O TYR A 59 10.286 4.887 4.458 1.00 12.95 O ATOM 931 CB TYR A 59 8.346 5.499 2.317 1.00 7.94 C ATOM 932 CG TYR A 59 7.242 6.464 2.152 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.835 7.271 3.211 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.458 6.541 0.975 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.840 8.247 3.070 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.373 7.420 0.835 1.00 6.52 C ATOM 937 CZ TYR A 59 5.099 8.313 1.866 1.00 6.76 C ATOM 938 OH TYR A 59 4.070 9.277 1.774 1.00 7.63 O ATOM 0 H TYR A 59 9.902 5.580 0.492 1.00 7.97 H new ATOM 0 HA TYR A 59 9.755 7.124 2.929 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.348 4.818 1.466 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.158 4.898 3.206 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.303 7.140 4.175 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.707 5.893 0.147 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.640 8.942 3.872 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.763 7.404 -0.056 1.00 6.52 H new ATOM 0 HH TYR A 59 4.393 10.054 1.272 1.00 7.63 H new ATOM 948 N ASN A 60 11.714 4.763 2.735 1.00 12.38 N ATOM 949 CA ASN A 60 12.562 3.761 3.279 1.00 13.94 C ATOM 950 C ASN A 60 11.820 2.436 3.556 1.00 14.16 C ATOM 951 O ASN A 60 12.040 1.806 4.566 1.00 14.26 O ATOM 952 CB ASN A 60 13.395 4.183 4.537 1.00 19.23 C ATOM 953 CG ASN A 60 14.061 5.477 4.179 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.855 6.496 4.834 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.045 5.445 3.231 1.00 24.09 N ATOM 0 H ASN A 60 12.034 5.095 1.825 1.00 12.38 H new ATOM 0 HA ASN A 60 13.288 3.606 2.481 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.751 4.304 5.408 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.133 3.421 4.789 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.617 6.272 3.062 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.207 4.594 2.693 1.00 24.09 H new ATOM 962 N ILE A 61 11.038 1.903 2.614 1.00 11.08 N ATOM 963 CA ILE A 61 10.259 0.718 2.837 1.00 11.78 C ATOM 964 C ILE A 61 11.079 -0.303 2.090 1.00 13.74 C ATOM 965 O ILE A 61 11.336 -0.232 0.875 1.00 14.60 O ATOM 966 CB ILE A 61 8.870 0.812 2.191 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.022 1.887 2.935 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.193 -0.601 2.164 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.735 2.239 2.174 1.00 11.42 C ATOM 0 H ILE A 61 10.938 2.295 1.677 1.00 11.08 H new ATOM 0 HA ILE A 61 10.080 0.512 3.892 1.00 11.78 H new ATOM 0 HB ILE A 61 8.954 1.134 1.153 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.766 1.521 3.929 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.620 2.788 3.071 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.208 -0.524 1.704 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.810 -1.289 1.587 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.089 -0.974 3.183 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.177 2.992 2.731 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.990 2.631 1.189 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.123 1.344 2.061 1.00 11.42 H new ATOM 981 N GLN A 62 11.514 -1.300 2.912 1.00 13.97 N ATOM 982 CA GLN A 62 12.578 -2.189 2.521 1.00 15.52 C ATOM 983 C GLN A 62 11.984 -3.598 2.213 1.00 13.94 C ATOM 984 O GLN A 62 10.799 -3.845 2.376 1.00 12.15 O ATOM 985 CB GLN A 62 13.667 -2.366 3.595 1.00 19.53 C ATOM 986 CG GLN A 62 14.396 -1.066 3.917 1.00 26.38 C ATOM 987 CD GLN A 62 15.379 -0.651 2.862 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.101 0.275 2.148 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.601 -1.247 2.830 1.00 32.71 N ATOM 0 H GLN A 62 11.129 -1.484 3.838 1.00 13.97 H new ATOM 0 HA GLN A 62 13.045 -1.735 1.647 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.213 -2.758 4.505 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.390 -3.108 3.255 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.662 -0.271 4.051 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.920 -1.179 4.866 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.802 -2.031 3.451 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.316 -0.910 2.185 1.00 32.71 H new ATOM 998 N LYS A 63 12.859 -4.560 1.694 1.00 11.73 N ATOM 999 CA LYS A 63 12.522 -5.946 1.639 1.00 11.97 C ATOM 1000 C LYS A 63 11.841 -6.499 2.908 1.00 10.41 C ATOM 1001 O LYS A 63 12.295 -6.137 4.006 1.00 9.59 O ATOM 1002 CB LYS A 63 13.650 -6.840 1.165 1.00 13.73 C ATOM 1003 CG LYS A 63 14.736 -7.161 2.176 1.00 16.98 C ATOM 1004 CD LYS A 63 15.735 -8.137 1.560 1.00 20.19 C ATOM 1005 CE LYS A 63 15.312 -9.605 1.546 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.650 -10.352 2.857 1.00 25.97 N ATOM 0 H LYS A 63 13.784 -4.341 1.325 1.00 11.73 H new ATOM 0 HA LYS A 63 11.758 -5.978 0.862 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.218 -7.779 0.820 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.118 -6.368 0.301 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.246 -6.247 2.480 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.295 -7.594 3.074 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.932 -7.826 0.534 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.676 -8.055 2.104 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.238 -9.665 1.369 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.801 -10.109 0.712 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.512 -11.374 2.720 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.640 -10.168 3.116 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.025 -10.017 3.618 1.00 25.97 H new ATOM 1020 N GLU A 64 10.886 -7.459 2.800 1.00 10.04 N ATOM 1021 CA GLU A 64 10.313 -8.135 3.918 1.00 10.94 C ATOM 1022 C GLU A 64 9.430 -7.238 4.857 1.00 9.74 C ATOM 1023 O GLU A 64 9.079 -7.684 5.967 1.00 9.42 O ATOM 1024 CB GLU A 64 11.376 -9.002 4.733 1.00 18.31 C ATOM 1025 CG GLU A 64 12.057 -10.014 3.822 1.00 24.16 C ATOM 1026 CD GLU A 64 12.971 -10.937 4.582 1.00 29.00 C ATOM 1027 OE1 GLU A 64 14.103 -10.545 4.964 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.483 -12.083 4.914 1.00 31.72 O ATOM 0 H GLU A 64 10.509 -7.766 1.904 1.00 10.04 H new ATOM 0 HA GLU A 64 9.609 -8.833 3.465 1.00 10.94 H new ATOM 0 HB2 GLU A 64 12.123 -8.345 5.178 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.878 -9.520 5.553 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.299 -10.601 3.303 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.629 -9.486 3.059 1.00 24.16 H new ATOM 1035 N SER A 65 9.282 -5.958 4.525 1.00 6.85 N ATOM 1036 CA SER A 65 8.576 -5.004 5.403 1.00 6.90 C ATOM 1037 C SER A 65 7.095 -5.092 5.245 1.00 4.72 C ATOM 1038 O SER A 65 6.656 -5.859 4.356 1.00 3.91 O ATOM 1039 CB SER A 65 9.103 -3.570 5.193 1.00 7.28 C ATOM 1040 OG SER A 65 8.641 -2.652 6.168 1.00 10.56 O ATOM 0 H SER A 65 9.637 -5.550 3.660 1.00 6.85 H new ATOM 0 HA SER A 65 8.789 -5.281 6.435 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.193 -3.586 5.207 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.802 -3.221 4.205 1.00 7.28 H new ATOM 0 HG SER A 65 9.010 -1.763 5.982 1.00 10.56 H new ATOM 1046 N THR A 66 6.328 -4.432 6.073 1.00 4.48 N ATOM 1047 CA THR A 66 4.887 -4.684 6.171 1.00 3.80 C ATOM 1048 C THR A 66 4.176 -3.325 5.930 1.00 4.60 C ATOM 1049 O THR A 66 4.562 -2.311 6.536 1.00 5.33 O ATOM 1050 CB THR A 66 4.375 -5.400 7.465 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.822 -6.734 7.524 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.846 -5.444 7.563 1.00 3.40 C ATOM 0 H THR A 66 6.668 -3.705 6.702 1.00 4.48 H new ATOM 0 HA THR A 66 4.639 -5.425 5.411 1.00 3.80 H new ATOM 0 HB THR A 66 4.778 -4.809 8.287 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.488 -7.155 8.344 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.555 -5.953 8.482 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.453 -4.428 7.571 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.442 -5.983 6.706 1.00 3.40 H new ATOM 1060 N LEU A 67 3.090 -3.235 5.123 1.00 4.17 N ATOM 1061 CA LEU A 67 2.357 -1.996 4.972 1.00 3.85 C ATOM 1062 C LEU A 67 0.957 -2.405 5.458 1.00 3.80 C ATOM 1063 O LEU A 67 0.571 -3.583 5.527 1.00 5.54 O ATOM 1064 CB LEU A 67 2.247 -1.389 3.567 1.00 7.18 C ATOM 1065 CG LEU A 67 3.687 -1.157 2.920 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.615 -0.716 1.437 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.529 -0.094 3.691 1.00 11.66 C ATOM 0 H LEU A 67 2.720 -4.013 4.577 1.00 4.17 H new ATOM 0 HA LEU A 67 2.876 -1.204 5.512 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.661 -2.050 2.928 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.713 -0.440 3.619 1.00 7.18 H new ATOM 0 HG LEU A 67 4.172 -2.131 2.988 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.624 -0.573 1.050 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.108 -1.484 0.853 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.062 0.220 1.362 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.499 0.023 3.207 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.003 0.861 3.685 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.675 -0.422 4.720 1.00 11.66 H new ATOM 1079 N HIS A 68 0.094 -1.419 5.794 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.187 -1.610 6.442 1.00 4.17 C ATOM 1081 C HIS A 68 -2.246 -1.001 5.559 1.00 5.32 C ATOM 1082 O HIS A 68 -2.080 0.144 5.135 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.190 -1.177 7.925 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.520 -2.143 8.823 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.782 -2.008 9.208 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.000 -3.257 9.462 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.042 -3.055 10.012 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.012 -3.840 10.248 1.00 16.30 N ATOM 0 H HIS A 68 0.296 -0.437 5.606 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.421 -2.670 6.537 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.697 -0.209 8.014 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.220 -1.042 8.254 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.009 -3.631 9.368 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.019 -3.244 10.431 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.076 -4.660 10.852 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.307 -1.776 5.222 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.305 -1.294 4.286 1.00 3.97 C ATOM 1098 C LEU A 69 -5.427 -0.719 5.071 1.00 5.07 C ATOM 1099 O LEU A 69 -5.750 -1.327 6.054 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.689 -2.497 3.259 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.729 -2.064 2.254 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.299 -0.875 1.275 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.138 -3.286 1.442 1.00 9.96 C ATOM 0 H LEU A 69 -3.476 -2.714 5.585 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.947 -0.487 3.646 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.792 -2.828 2.735 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.062 -3.352 3.823 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.556 -1.649 2.830 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.121 -0.647 0.597 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.057 0.011 1.863 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.425 -1.177 0.697 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.890 -2.999 0.707 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.265 -3.691 0.929 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.551 -4.044 2.108 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.021 0.492 4.808 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.264 1.042 5.389 1.00 6.26 C ATOM 1117 C VAL A 70 -8.046 1.620 4.234 1.00 9.22 C ATOM 1118 O VAL A 70 -7.498 2.124 3.224 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.946 2.075 6.501 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.247 1.478 7.686 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.120 3.267 5.961 1.00 8.54 C ATOM 0 H VAL A 70 -5.605 1.140 4.139 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.860 0.278 5.887 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.918 2.435 6.838 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.055 2.256 8.425 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.876 0.705 8.128 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.302 1.039 7.368 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.919 3.967 6.772 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.177 2.902 5.555 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.682 3.773 5.176 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.390 1.499 4.239 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.174 1.805 3.061 1.00 16.06 C ATOM 1133 C LEU A 71 -11.055 3.016 3.303 1.00 18.09 C ATOM 1134 O LEU A 71 -11.533 3.372 4.372 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.013 0.521 2.544 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.222 -0.782 2.437 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.139 -1.825 1.784 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.015 -0.645 1.493 1.00 19.57 C ATOM 0 H LEU A 71 -9.935 1.193 5.045 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.486 2.060 2.255 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.853 0.361 3.220 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.432 0.753 1.565 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.881 -1.052 3.436 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.606 -2.771 1.691 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.026 -1.967 2.402 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.438 -1.478 0.795 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.480 -1.594 1.446 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.362 -0.374 0.496 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.346 0.130 1.868 1.00 19.57 H new