USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 60 ASN : amide:sc= -0.0588 X(o=-0.03,f=-0.5) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.0292 X(o=-0.03,f=-0.5) USER MOD Set 2.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0.363 USER MOD Set 3.2: A 25 ASN : amide:sc= 0.381 K(o=0.74,f=0.1) USER MOD Set 4.1: A 7 THR OG1 : rot 153:sc= 1.48 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0.96 USER MOD Set 5.1: A 6 LYS NZ :NH3+ 176:sc= 0.569 (180deg=0) USER MOD Set 5.2: A 12 THR OG1 : rot 110:sc= 0.375 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.411 (180deg=-0.811) USER MOD Single : A 1 MET N :NH3+ -156:sc= 2.44 (180deg=2.25) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 0.897 (180deg=-0.543!) USER MOD Single : A 14 THR OG1 : rot -72:sc= 0.0996 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 1.81 (180deg=1.45) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= -0.0328 (180deg=-0.267) USER MOD Single : A 31 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.28) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= -0.103 (180deg=-0.311) USER MOD Single : A 40 GLN : amide:sc=-0.00562 X(o=-0.0056,f=-0.29) USER MOD Single : A 41 GLN : amide:sc= 2.07 K(o=2.1,f=-0.66) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.328 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.343 K(o=0.34,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.634 -6.907 -4.985 1.00 9.67 N ATOM 2 CA MET A 1 11.467 -6.855 -3.565 1.00 10.38 C ATOM 3 C MET A 1 10.135 -7.302 -2.965 1.00 9.62 C ATOM 4 O MET A 1 9.072 -6.868 -3.336 1.00 9.62 O ATOM 5 CB MET A 1 11.686 -5.351 -3.204 1.00 13.77 C ATOM 6 CG MET A 1 12.162 -5.138 -1.756 1.00 16.29 C ATOM 7 SD MET A 1 12.671 -3.336 -1.519 1.00 17.17 S ATOM 8 CE MET A 1 10.987 -2.935 -1.043 1.00 16.11 C ATOM 0 H1 MET A 1 12.646 -6.976 -5.213 1.00 9.67 H new ATOM 0 H2 MET A 1 11.137 -7.739 -5.363 1.00 9.67 H new ATOM 0 H3 MET A 1 11.241 -6.045 -5.413 1.00 9.67 H new ATOM 0 HA MET A 1 12.167 -7.577 -3.145 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.420 -4.923 -3.887 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.753 -4.808 -3.357 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.365 -5.397 -1.058 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.003 -5.796 -1.538 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.848 -1.854 -1.074 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.291 -3.411 -1.733 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.799 -3.296 -0.032 1.00 16.11 H new ATOM 20 N GLN A 2 10.136 -8.175 -1.971 1.00 9.27 N ATOM 21 CA GLN A 2 8.926 -8.684 -1.437 1.00 9.07 C ATOM 22 C GLN A 2 8.654 -7.916 -0.107 1.00 8.72 C ATOM 23 O GLN A 2 9.506 -7.569 0.690 1.00 8.22 O ATOM 24 CB GLN A 2 9.108 -10.190 -0.994 1.00 14.46 C ATOM 25 CG GLN A 2 7.967 -10.892 -0.255 1.00 17.01 C ATOM 26 CD GLN A 2 8.179 -12.418 -0.132 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.425 -13.029 0.905 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.030 -13.113 -1.281 1.00 19.49 N ATOM 0 H GLN A 2 10.981 -8.536 -1.528 1.00 9.27 H new ATOM 0 HA GLN A 2 8.140 -8.584 -2.185 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.326 -10.772 -1.890 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.992 -10.241 -0.358 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.868 -10.463 0.742 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.030 -10.701 -0.779 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.825 -12.622 -2.151 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.122 -14.129 -1.278 1.00 19.49 H new ATOM 37 N ILE A 3 7.296 -7.540 0.084 1.00 5.87 N ATOM 38 CA ILE A 3 6.641 -6.882 1.125 1.00 5.07 C ATOM 39 C ILE A 3 5.298 -7.569 1.406 1.00 4.01 C ATOM 40 O ILE A 3 4.797 -8.379 0.687 1.00 4.61 O ATOM 41 CB ILE A 3 6.385 -5.462 0.782 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.409 -5.250 -0.414 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.747 -4.727 0.564 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.753 -3.921 -0.404 1.00 10.83 C ATOM 0 H ILE A 3 6.622 -7.768 -0.647 1.00 5.87 H new ATOM 0 HA ILE A 3 7.282 -6.924 2.006 1.00 5.07 H new ATOM 0 HB ILE A 3 5.861 -5.021 1.630 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.958 -5.370 -1.348 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.644 -6.026 -0.392 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.561 -3.683 0.312 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.339 -4.780 1.478 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.292 -5.205 -0.250 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.087 -3.838 -1.263 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.177 -3.806 0.514 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.512 -3.140 -0.457 1.00 10.83 H new ATOM 56 N PHE A 4 4.675 -7.133 2.546 1.00 4.55 N ATOM 57 CA PHE A 4 3.440 -7.625 3.100 1.00 4.68 C ATOM 58 C PHE A 4 2.407 -6.562 3.373 1.00 5.30 C ATOM 59 O PHE A 4 2.688 -5.529 3.982 1.00 5.58 O ATOM 60 CB PHE A 4 3.673 -8.398 4.373 1.00 4.83 C ATOM 61 CG PHE A 4 4.788 -9.471 4.180 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.442 -10.694 3.625 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.118 -9.280 4.672 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.405 -11.683 3.439 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.139 -10.269 4.429 1.00 10.61 C ATOM 66 CZ PHE A 4 6.780 -11.443 3.765 1.00 8.90 C ATOM 0 H PHE A 4 5.073 -6.383 3.111 1.00 4.55 H new ATOM 0 HA PHE A 4 3.043 -8.275 2.320 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.957 -7.713 5.172 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.747 -8.882 4.683 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.419 -10.881 3.335 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.359 -8.387 5.230 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.112 -12.644 3.044 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.156 -10.105 4.753 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.535 -12.168 3.498 1.00 8.90 H new ATOM 76 N VAL A 5 1.147 -6.703 2.933 1.00 4.44 N ATOM 77 CA VAL A 5 0.092 -5.754 3.052 1.00 3.87 C ATOM 78 C VAL A 5 -1.022 -6.307 3.905 1.00 4.93 C ATOM 79 O VAL A 5 -1.699 -7.267 3.488 1.00 6.84 O ATOM 80 CB VAL A 5 -0.529 -5.309 1.728 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.788 -4.383 1.915 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.507 -4.542 0.853 1.00 9.13 C ATOM 0 H VAL A 5 0.844 -7.552 2.455 1.00 4.44 H new ATOM 0 HA VAL A 5 0.567 -4.883 3.503 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.845 -6.228 1.235 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.181 -4.102 0.938 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.554 -4.920 2.474 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.501 -3.485 2.462 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.038 -4.237 -0.083 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.854 -3.659 1.390 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.355 -5.193 0.639 1.00 9.13 H new ATOM 92 N LYS A 6 -1.251 -5.732 5.128 1.00 6.04 N ATOM 93 CA LYS A 6 -2.209 -6.287 6.034 1.00 6.12 C ATOM 94 C LYS A 6 -3.591 -5.679 5.800 1.00 6.57 C ATOM 95 O LYS A 6 -3.753 -4.468 5.914 1.00 5.76 O ATOM 96 CB LYS A 6 -1.817 -5.789 7.461 1.00 7.45 C ATOM 97 CG LYS A 6 -0.536 -6.488 7.939 1.00 11.12 C ATOM 98 CD LYS A 6 -0.768 -7.861 8.520 1.00 14.54 C ATOM 99 CE LYS A 6 0.570 -8.555 8.769 1.00 18.84 C ATOM 100 NZ LYS A 6 0.279 -9.867 9.294 1.00 20.55 N ATOM 0 H LYS A 6 -0.774 -4.898 5.470 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.225 -7.370 5.909 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.666 -4.710 7.448 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.630 -5.989 8.159 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.155 -6.571 7.100 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.052 -5.864 8.690 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.325 -7.781 9.454 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.374 -8.456 7.837 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.143 -8.629 7.845 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.174 -7.984 9.474 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.165 -10.398 9.413 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.196 -9.775 10.215 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.342 -10.375 8.633 1.00 20.55 H new ATOM 114 N THR A 7 -4.582 -6.519 5.537 1.00 7.41 N ATOM 115 CA THR A 7 -5.952 -6.062 5.364 1.00 7.48 C ATOM 116 C THR A 7 -6.679 -5.837 6.694 1.00 8.75 C ATOM 117 O THR A 7 -6.136 -6.176 7.754 1.00 8.58 O ATOM 118 CB THR A 7 -6.806 -6.909 4.411 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.126 -8.104 5.079 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.937 -7.259 3.158 1.00 9.17 C ATOM 0 H THR A 7 -4.461 -7.527 5.438 1.00 7.41 H new ATOM 0 HA THR A 7 -5.832 -5.096 4.873 1.00 7.48 H new ATOM 0 HB THR A 7 -7.708 -6.377 4.110 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.966 -8.462 4.724 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.524 -7.862 2.465 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.624 -6.339 2.664 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.057 -7.820 3.471 1.00 9.17 H new ATOM 128 N LEU A 8 -7.872 -5.361 6.642 1.00 9.84 N ATOM 129 CA LEU A 8 -8.814 -5.320 7.751 1.00 14.15 C ATOM 130 C LEU A 8 -9.763 -6.495 7.655 1.00 17.37 C ATOM 131 O LEU A 8 -10.677 -6.614 8.515 1.00 17.01 O ATOM 132 CB LEU A 8 -9.551 -3.993 7.778 1.00 16.63 C ATOM 133 CG LEU A 8 -8.681 -2.749 7.745 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.562 -1.490 7.519 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.020 -2.675 9.126 1.00 18.59 C ATOM 0 H LEU A 8 -8.258 -4.963 5.786 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.271 -5.401 8.693 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.231 -3.960 6.927 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.165 -3.959 8.678 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.947 -2.790 6.940 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.930 -0.603 7.497 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.092 -1.582 6.571 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.284 -1.401 8.331 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.375 -1.798 9.174 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.790 -2.602 9.894 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.425 -3.573 9.293 1.00 18.59 H new ATOM 147 N THR A 9 -9.569 -7.477 6.703 1.00 18.33 N ATOM 148 CA THR A 9 -10.492 -8.545 6.414 1.00 19.24 C ATOM 149 C THR A 9 -10.002 -9.874 6.914 1.00 19.48 C ATOM 150 O THR A 9 -10.607 -10.941 6.601 1.00 23.14 O ATOM 151 CB THR A 9 -10.822 -8.663 4.938 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.673 -8.677 4.154 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.653 -7.433 4.529 1.00 19.70 C ATOM 0 H THR A 9 -8.731 -7.512 6.122 1.00 18.33 H new ATOM 0 HA THR A 9 -11.403 -8.276 6.948 1.00 19.24 H new ATOM 0 HB THR A 9 -11.364 -9.596 4.783 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.922 -8.755 3.210 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.902 -7.498 3.470 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.571 -7.403 5.116 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.076 -6.527 4.711 1.00 19.70 H new ATOM 161 N GLY A 10 -8.923 -9.933 7.756 1.00 19.43 N ATOM 162 CA GLY A 10 -8.304 -11.260 8.108 1.00 18.74 C ATOM 163 C GLY A 10 -7.371 -11.823 7.066 1.00 17.62 C ATOM 164 O GLY A 10 -7.259 -13.031 6.854 1.00 19.74 O ATOM 0 H GLY A 10 -8.479 -9.122 8.187 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.756 -11.152 9.044 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.102 -11.980 8.287 1.00 18.74 H new ATOM 168 N LYS A 11 -6.617 -10.993 6.364 1.00 13.56 N ATOM 169 CA LYS A 11 -5.836 -11.460 5.258 1.00 11.91 C ATOM 170 C LYS A 11 -4.518 -10.683 5.247 1.00 10.18 C ATOM 171 O LYS A 11 -4.488 -9.495 5.538 1.00 9.10 O ATOM 172 CB LYS A 11 -6.590 -11.173 3.888 1.00 13.43 C ATOM 173 CG LYS A 11 -5.914 -11.893 2.680 1.00 16.69 C ATOM 174 CD LYS A 11 -6.662 -11.757 1.414 1.00 17.92 C ATOM 175 CE LYS A 11 -8.201 -12.072 1.443 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.771 -11.909 0.053 1.00 21.93 N ATOM 0 H LYS A 11 -6.537 -9.993 6.550 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.669 -12.532 5.360 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.626 -11.501 3.970 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.609 -10.099 3.704 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.910 -11.490 2.544 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.804 -12.952 2.915 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.535 -10.735 1.056 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.198 -12.413 0.677 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.369 -13.088 1.801 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.708 -11.402 2.137 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.576 -12.556 -0.070 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.091 -10.928 -0.078 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.038 -12.131 -0.651 1.00 21.93 H new ATOM 190 N THR A 12 -3.347 -11.340 4.915 1.00 9.63 N ATOM 191 CA THR A 12 -2.126 -10.672 4.648 1.00 9.85 C ATOM 192 C THR A 12 -1.831 -10.995 3.242 1.00 11.66 C ATOM 193 O THR A 12 -1.681 -12.148 2.828 1.00 12.33 O ATOM 194 CB THR A 12 -1.013 -10.972 5.630 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.422 -10.764 7.017 1.00 10.91 O ATOM 196 CG2 THR A 12 0.221 -10.041 5.393 1.00 9.63 C ATOM 0 H THR A 12 -3.281 -12.355 4.839 1.00 9.63 H new ATOM 0 HA THR A 12 -2.215 -9.595 4.791 1.00 9.85 H new ATOM 0 HB THR A 12 -0.760 -12.019 5.463 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.491 -11.630 7.471 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.002 -10.282 6.114 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.601 -10.191 4.382 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.079 -9.000 5.517 1.00 9.63 H new ATOM 204 N ILE A 13 -1.582 -9.893 2.439 1.00 10.42 N ATOM 205 CA ILE A 13 -1.239 -10.027 1.057 1.00 11.84 C ATOM 206 C ILE A 13 0.214 -9.856 0.760 1.00 10.55 C ATOM 207 O ILE A 13 0.841 -8.867 1.117 1.00 11.92 O ATOM 208 CB ILE A 13 -2.125 -9.154 0.246 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.599 -9.448 0.356 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.795 -9.216 -1.284 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.423 -8.341 -0.164 1.00 16.46 C ATOM 0 H ILE A 13 -1.625 -8.929 2.769 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.417 -11.063 0.769 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.921 -8.172 0.673 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.829 -10.361 -0.194 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.855 -9.632 1.399 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.473 -8.559 -1.829 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.767 -8.893 -1.448 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.916 -10.239 -1.641 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.478 -8.595 -0.065 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.214 -7.434 0.403 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.187 -8.174 -1.215 1.00 16.46 H new ATOM 223 N THR A 14 0.873 -10.736 -0.033 1.00 9.39 N ATOM 224 CA THR A 14 2.276 -10.587 -0.259 1.00 9.63 C ATOM 225 C THR A 14 2.450 -9.956 -1.638 1.00 11.20 C ATOM 226 O THR A 14 1.745 -10.284 -2.616 1.00 11.63 O ATOM 227 CB THR A 14 3.080 -11.944 -0.263 1.00 10.38 C ATOM 228 OG1 THR A 14 2.948 -12.562 0.970 1.00 16.30 O ATOM 229 CG2 THR A 14 4.595 -11.715 -0.459 1.00 11.66 C ATOM 0 H THR A 14 0.440 -11.530 -0.504 1.00 9.39 H new ATOM 0 HA THR A 14 2.668 -9.984 0.560 1.00 9.63 H new ATOM 0 HB THR A 14 2.679 -12.544 -1.080 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.468 -12.070 1.640 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.112 -12.675 -0.456 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.767 -11.214 -1.412 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.977 -11.095 0.352 1.00 11.66 H new ATOM 237 N LEU A 15 3.427 -9.063 -1.784 1.00 8.29 N ATOM 238 CA LEU A 15 3.622 -8.348 -3.071 1.00 9.03 C ATOM 239 C LEU A 15 5.051 -8.431 -3.448 1.00 8.59 C ATOM 240 O LEU A 15 5.931 -8.635 -2.585 1.00 7.79 O ATOM 241 CB LEU A 15 3.086 -6.921 -3.188 1.00 11.08 C ATOM 242 CG LEU A 15 1.551 -6.846 -3.265 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.033 -5.388 -3.072 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.801 -7.637 -4.375 1.00 15.27 C ATOM 0 H LEU A 15 4.090 -8.812 -1.051 1.00 8.29 H new ATOM 0 HA LEU A 15 2.982 -8.872 -3.780 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.428 -6.342 -2.330 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.510 -6.454 -4.077 1.00 11.08 H new ATOM 0 HG LEU A 15 1.259 -7.448 -2.405 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.055 -5.377 -3.133 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.345 -5.017 -2.096 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.446 -4.749 -3.852 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.272 -7.469 -4.280 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.136 -7.296 -5.354 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.013 -8.701 -4.270 1.00 15.27 H new ATOM 256 N GLU A 16 5.327 -8.314 -4.762 1.00 11.04 N ATOM 257 CA GLU A 16 6.653 -8.184 -5.330 1.00 11.50 C ATOM 258 C GLU A 16 6.763 -6.912 -6.073 1.00 10.13 C ATOM 259 O GLU A 16 6.182 -6.759 -7.186 1.00 9.83 O ATOM 260 CB GLU A 16 6.872 -9.308 -6.406 1.00 17.22 C ATOM 261 CG GLU A 16 8.271 -9.333 -7.032 1.00 23.33 C ATOM 262 CD GLU A 16 9.324 -9.776 -5.972 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.210 -11.015 -5.653 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.316 -9.076 -5.684 1.00 28.86 O ATOM 0 H GLU A 16 4.594 -8.309 -5.471 1.00 11.04 H new ATOM 0 HA GLU A 16 7.373 -8.241 -4.514 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.678 -10.276 -5.944 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.136 -9.180 -7.200 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.286 -10.018 -7.880 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.524 -8.345 -7.416 1.00 23.33 H new ATOM 271 N VAL A 17 7.548 -5.977 -5.500 1.00 8.99 N ATOM 272 CA VAL A 17 7.616 -4.561 -5.838 1.00 8.85 C ATOM 273 C VAL A 17 9.031 -4.176 -6.185 1.00 8.04 C ATOM 274 O VAL A 17 10.011 -4.939 -5.838 1.00 8.99 O ATOM 275 CB VAL A 17 6.968 -3.646 -4.757 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.503 -3.979 -4.598 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.737 -3.816 -3.392 1.00 10.54 C ATOM 0 H VAL A 17 8.187 -6.217 -4.742 1.00 8.99 H new ATOM 0 HA VAL A 17 7.007 -4.397 -6.727 1.00 8.85 H new ATOM 0 HB VAL A 17 7.043 -2.605 -5.072 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.063 -3.332 -3.839 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.990 -3.826 -5.547 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.398 -5.020 -4.292 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.283 -3.175 -2.636 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.679 -4.855 -3.069 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.782 -3.535 -3.525 1.00 10.54 H new ATOM 287 N GLU A 18 9.214 -3.049 -6.908 1.00 7.29 N ATOM 288 CA GLU A 18 10.560 -2.568 -7.170 1.00 7.08 C ATOM 289 C GLU A 18 10.767 -1.263 -6.369 1.00 6.45 C ATOM 290 O GLU A 18 9.810 -0.521 -6.161 1.00 5.28 O ATOM 291 CB GLU A 18 10.592 -2.289 -8.722 1.00 10.28 C ATOM 292 CG GLU A 18 11.893 -1.622 -9.218 1.00 12.65 C ATOM 293 CD GLU A 18 11.940 -1.708 -10.701 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.269 -0.936 -11.416 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.593 -2.626 -11.267 1.00 18.17 O ATOM 0 H GLU A 18 8.464 -2.481 -7.303 1.00 7.29 H new ATOM 0 HA GLU A 18 11.343 -3.269 -6.881 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.455 -3.231 -9.252 1.00 10.28 H new ATOM 0 HB3 GLU A 18 9.748 -1.651 -8.983 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.928 -0.580 -8.899 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.761 -2.118 -8.783 1.00 12.65 H new ATOM 302 N PRO A 19 11.939 -1.005 -5.775 1.00 7.24 N ATOM 303 CA PRO A 19 12.055 -0.025 -4.746 1.00 7.07 C ATOM 304 C PRO A 19 11.975 1.407 -5.156 1.00 6.65 C ATOM 305 O PRO A 19 11.848 2.358 -4.340 1.00 6.37 O ATOM 306 CB PRO A 19 13.331 -0.334 -4.017 1.00 7.61 C ATOM 307 CG PRO A 19 14.204 -1.018 -5.031 1.00 8.16 C ATOM 308 CD PRO A 19 13.137 -1.868 -5.716 1.00 7.49 C ATOM 0 HA PRO A 19 11.171 -0.108 -4.114 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.801 0.575 -3.641 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.148 -0.977 -3.156 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.688 -0.318 -5.712 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.992 -1.616 -4.575 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.454 -2.171 -6.714 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.939 -2.781 -5.154 1.00 7.49 H new ATOM 316 N SER A 20 11.968 1.611 -6.522 1.00 6.80 N ATOM 317 CA SER A 20 11.620 2.857 -7.111 1.00 6.28 C ATOM 318 C SER A 20 10.158 3.010 -7.416 1.00 8.45 C ATOM 319 O SER A 20 9.749 4.093 -7.822 1.00 7.26 O ATOM 320 CB SER A 20 12.529 3.057 -8.392 1.00 8.57 C ATOM 321 OG SER A 20 12.552 1.870 -9.184 1.00 11.13 O ATOM 0 H SER A 20 12.210 0.887 -7.199 1.00 6.80 H new ATOM 0 HA SER A 20 11.809 3.646 -6.383 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.151 3.889 -8.986 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.543 3.317 -8.088 1.00 8.57 H new ATOM 0 HG SER A 20 13.117 2.013 -9.972 1.00 11.13 H new ATOM 327 N ASP A 21 9.295 1.973 -7.256 1.00 7.50 N ATOM 328 CA ASP A 21 7.852 1.963 -7.458 1.00 7.70 C ATOM 329 C ASP A 21 7.089 3.023 -6.713 1.00 7.08 C ATOM 330 O ASP A 21 7.291 3.174 -5.515 1.00 8.11 O ATOM 331 CB ASP A 21 7.202 0.571 -7.277 1.00 11.00 C ATOM 332 CG ASP A 21 7.566 -0.457 -8.229 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.040 -0.061 -9.320 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.167 -1.621 -8.021 1.00 18.03 O ATOM 0 H ASP A 21 9.633 1.058 -6.959 1.00 7.50 H new ATOM 0 HA ASP A 21 7.764 2.227 -8.512 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.449 0.210 -6.279 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.120 0.696 -7.312 1.00 11.00 H new ATOM 339 N THR A 22 6.147 3.751 -7.331 1.00 5.37 N ATOM 340 CA THR A 22 5.162 4.611 -6.629 1.00 6.01 C ATOM 341 C THR A 22 4.124 3.839 -5.761 1.00 8.01 C ATOM 342 O THR A 22 3.814 2.678 -6.083 1.00 8.11 O ATOM 343 CB THR A 22 4.353 5.661 -7.385 1.00 8.92 C ATOM 344 OG1 THR A 22 3.460 5.059 -8.310 1.00 10.22 O ATOM 345 CG2 THR A 22 5.248 6.591 -8.107 1.00 9.65 C ATOM 0 H THR A 22 6.040 3.764 -8.345 1.00 5.37 H new ATOM 0 HA THR A 22 5.910 5.154 -6.052 1.00 6.01 H new ATOM 0 HB THR A 22 3.773 6.215 -6.647 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.955 5.756 -8.778 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.651 7.331 -8.639 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.900 7.095 -7.394 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.854 6.033 -8.821 1.00 9.65 H new ATOM 353 N ILE A 23 3.695 4.465 -4.669 1.00 8.32 N ATOM 354 CA ILE A 23 2.581 3.955 -3.795 1.00 9.92 C ATOM 355 C ILE A 23 1.238 3.707 -4.512 1.00 10.01 C ATOM 356 O ILE A 23 0.600 2.664 -4.256 1.00 8.71 O ATOM 357 CB ILE A 23 2.360 4.895 -2.564 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.614 5.111 -1.703 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.183 4.343 -1.646 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.275 3.911 -1.042 1.00 12.30 C ATOM 0 H ILE A 23 4.095 5.345 -4.343 1.00 8.32 H new ATOM 0 HA ILE A 23 2.924 2.973 -3.469 1.00 9.92 H new ATOM 0 HB ILE A 23 2.098 5.866 -2.985 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.363 5.595 -2.330 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.353 5.818 -0.915 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.043 5.009 -0.795 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.261 4.296 -2.226 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.438 3.345 -1.288 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.144 4.242 -0.474 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.565 3.428 -0.371 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.590 3.202 -1.807 1.00 12.30 H new ATOM 372 N GLU A 24 0.887 4.538 -5.553 1.00 9.54 N ATOM 373 CA GLU A 24 -0.206 4.148 -6.395 1.00 11.81 C ATOM 374 C GLU A 24 -0.111 2.790 -7.148 1.00 11.14 C ATOM 375 O GLU A 24 -1.051 1.969 -7.195 1.00 10.62 O ATOM 376 CB GLU A 24 -0.517 5.159 -7.466 1.00 19.24 C ATOM 377 CG GLU A 24 -1.855 5.073 -8.209 1.00 27.76 C ATOM 378 CD GLU A 24 -2.138 6.310 -9.012 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.440 7.391 -8.533 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.093 6.180 -10.249 1.00 36.51 O ATOM 0 H GLU A 24 1.339 5.422 -5.787 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.980 4.059 -5.632 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.457 6.148 -7.011 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.276 5.102 -8.211 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.846 4.207 -8.870 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.659 4.917 -7.490 1.00 27.76 H new ATOM 387 N ASN A 25 1.130 2.474 -7.646 1.00 9.43 N ATOM 388 CA ASN A 25 1.456 1.191 -8.269 1.00 10.96 C ATOM 389 C ASN A 25 1.284 0.013 -7.352 1.00 9.68 C ATOM 390 O ASN A 25 0.771 -0.998 -7.785 1.00 9.33 O ATOM 391 CB ASN A 25 2.854 1.095 -8.836 1.00 16.78 C ATOM 392 CG ASN A 25 2.828 1.691 -10.259 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.450 1.021 -11.239 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.221 2.930 -10.431 1.00 24.70 N ATOM 0 H ASN A 25 1.919 3.120 -7.615 1.00 9.43 H new ATOM 0 HA ASN A 25 0.732 1.155 -9.083 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.559 1.638 -8.207 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.185 0.057 -8.863 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.216 3.342 -11.364 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.531 3.482 -9.632 1.00 24.70 H new ATOM 401 N VAL A 26 1.717 0.160 -6.099 1.00 6.52 N ATOM 402 CA VAL A 26 1.486 -0.887 -5.041 1.00 5.53 C ATOM 403 C VAL A 26 -0.003 -1.186 -4.831 1.00 4.42 C ATOM 404 O VAL A 26 -0.544 -2.278 -4.860 1.00 3.40 O ATOM 405 CB VAL A 26 2.116 -0.626 -3.650 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.968 -1.827 -2.728 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.610 -0.393 -4.007 1.00 8.12 C ATOM 0 H VAL A 26 2.228 0.979 -5.770 1.00 6.52 H new ATOM 0 HA VAL A 26 2.012 -1.742 -5.466 1.00 5.53 H new ATOM 0 HB VAL A 26 1.648 0.201 -3.116 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.423 -1.603 -1.763 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.910 -2.050 -2.588 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.465 -2.690 -3.172 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.175 -0.194 -3.096 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.010 -1.281 -4.496 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.695 0.460 -4.680 1.00 8.12 H new ATOM 417 N LYS A 27 -0.835 -0.106 -4.701 1.00 2.64 N ATOM 418 CA LYS A 27 -2.253 -0.201 -4.475 1.00 4.14 C ATOM 419 C LYS A 27 -2.985 -0.792 -5.645 1.00 5.58 C ATOM 420 O LYS A 27 -3.933 -1.488 -5.514 1.00 4.11 O ATOM 421 CB LYS A 27 -2.879 1.174 -4.053 1.00 3.97 C ATOM 422 CG LYS A 27 -2.529 1.607 -2.615 1.00 7.45 C ATOM 423 CD LYS A 27 -3.119 2.941 -2.250 1.00 9.02 C ATOM 424 CE LYS A 27 -2.775 4.114 -3.096 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.601 5.288 -2.818 1.00 15.47 N ATOM 0 H LYS A 27 -0.500 0.856 -4.756 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.377 -0.889 -3.639 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.540 1.944 -4.746 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.963 1.113 -4.150 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.888 0.852 -1.915 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.445 1.652 -2.507 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.204 2.837 -2.250 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.820 3.169 -1.227 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.727 4.370 -2.941 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.885 3.841 -4.146 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.188 6.121 -3.284 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.563 5.129 -3.180 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.640 5.450 -1.791 1.00 15.47 H new ATOM 439 N ALA A 28 -2.501 -0.530 -6.850 1.00 6.61 N ATOM 440 CA ALA A 28 -2.978 -1.171 -8.053 1.00 7.74 C ATOM 441 C ALA A 28 -2.740 -2.691 -8.163 1.00 9.17 C ATOM 442 O ALA A 28 -3.633 -3.452 -8.585 1.00 11.45 O ATOM 443 CB ALA A 28 -2.259 -0.507 -9.263 1.00 7.68 C ATOM 0 H ALA A 28 -1.755 0.145 -7.015 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.060 -1.040 -8.035 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.600 -0.972 -10.188 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.491 0.558 -9.285 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.182 -0.642 -9.165 1.00 7.68 H new ATOM 449 N LYS A 29 -1.570 -3.204 -7.774 1.00 8.96 N ATOM 450 CA LYS A 29 -1.388 -4.632 -7.591 1.00 7.90 C ATOM 451 C LYS A 29 -2.395 -5.247 -6.502 1.00 6.92 C ATOM 452 O LYS A 29 -2.924 -6.332 -6.648 1.00 6.87 O ATOM 453 CB LYS A 29 0.027 -4.787 -7.122 1.00 10.28 C ATOM 454 CG LYS A 29 1.148 -4.472 -8.128 1.00 14.94 C ATOM 455 CD LYS A 29 2.463 -4.708 -7.416 1.00 19.69 C ATOM 456 CE LYS A 29 3.559 -5.198 -8.407 1.00 22.63 C ATOM 457 NZ LYS A 29 3.283 -6.555 -8.891 1.00 24.98 N ATOM 0 H LYS A 29 -0.739 -2.645 -7.582 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.593 -5.166 -8.519 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.165 -4.145 -6.252 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.158 -5.815 -6.783 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.066 -5.110 -9.008 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.077 -3.441 -8.474 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.790 -3.786 -6.935 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.325 -5.448 -6.627 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.617 -4.514 -9.254 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.531 -5.178 -7.914 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.166 -6.990 -9.228 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.890 -7.127 -8.116 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.598 -6.512 -9.672 1.00 24.98 H new ATOM 471 N ILE A 30 -2.731 -4.472 -5.442 1.00 4.57 N ATOM 472 CA ILE A 30 -3.870 -4.898 -4.631 1.00 5.58 C ATOM 473 C ILE A 30 -5.244 -4.779 -5.295 1.00 7.26 C ATOM 474 O ILE A 30 -6.181 -5.570 -5.031 1.00 9.46 O ATOM 475 CB ILE A 30 -3.795 -4.028 -3.366 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.559 -4.381 -2.534 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.995 -4.124 -2.419 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.538 -5.782 -1.955 1.00 2.00 C ATOM 0 H ILE A 30 -2.263 -3.613 -5.152 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.790 -5.968 -4.441 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.765 -3.014 -3.766 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.674 -4.251 -3.157 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.479 -3.667 -1.714 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.835 -3.470 -1.562 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.899 -3.818 -2.945 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.106 -5.152 -2.075 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.620 -5.926 -1.385 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.398 -5.917 -1.299 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.581 -6.511 -2.764 1.00 2.00 H new ATOM 490 N GLN A 31 -5.435 -3.814 -6.229 1.00 7.06 N ATOM 491 CA GLN A 31 -6.685 -3.866 -6.994 1.00 8.67 C ATOM 492 C GLN A 31 -6.800 -5.115 -7.866 1.00 10.90 C ATOM 493 O GLN A 31 -7.831 -5.785 -7.848 1.00 9.63 O ATOM 494 CB GLN A 31 -6.711 -2.607 -7.903 1.00 9.12 C ATOM 495 CG GLN A 31 -8.019 -2.559 -8.721 1.00 10.76 C ATOM 496 CD GLN A 31 -8.116 -1.360 -9.635 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.183 -0.677 -10.021 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.388 -1.016 -9.934 1.00 14.76 N ATOM 0 H GLN A 31 -4.793 -3.053 -6.453 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.522 -3.897 -6.296 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.624 -1.708 -7.292 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.854 -2.619 -8.576 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.098 -3.468 -9.318 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.867 -2.553 -8.036 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.163 -1.593 -9.607 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.573 -0.179 -10.487 1.00 14.76 H new ATOM 507 N ASP A 32 -5.728 -5.528 -8.458 1.00 10.93 N ATOM 508 CA ASP A 32 -5.491 -6.682 -9.272 1.00 14.01 C ATOM 509 C ASP A 32 -5.888 -7.985 -8.522 1.00 14.04 C ATOM 510 O ASP A 32 -6.547 -8.897 -9.088 1.00 13.39 O ATOM 511 CB ASP A 32 -4.001 -6.666 -9.757 1.00 18.01 C ATOM 512 CG ASP A 32 -3.906 -7.540 -11.027 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.480 -7.130 -12.082 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.236 -8.599 -10.967 1.00 25.17 O ATOM 0 H ASP A 32 -4.870 -4.983 -8.369 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.125 -6.656 -10.158 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.680 -5.646 -9.971 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.342 -7.051 -8.979 1.00 18.01 H new ATOM 519 N LYS A 33 -5.590 -8.114 -7.241 1.00 14.22 N ATOM 520 CA LYS A 33 -6.105 -9.191 -6.329 1.00 14.00 C ATOM 521 C LYS A 33 -7.457 -8.866 -5.671 1.00 12.37 C ATOM 522 O LYS A 33 -8.444 -9.439 -6.069 1.00 12.17 O ATOM 523 CB LYS A 33 -5.047 -9.356 -5.194 1.00 18.62 C ATOM 524 CG LYS A 33 -3.684 -9.780 -5.718 1.00 24.00 C ATOM 525 CD LYS A 33 -2.582 -9.818 -4.645 1.00 27.61 C ATOM 526 CE LYS A 33 -1.280 -10.456 -5.117 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.447 -11.782 -5.720 1.00 30.06 N ATOM 0 H LYS A 33 -4.964 -7.464 -6.765 1.00 14.22 H new ATOM 0 HA LYS A 33 -6.260 -10.089 -6.927 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.947 -8.413 -4.656 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.402 -10.096 -4.477 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.771 -10.769 -6.169 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.382 -9.094 -6.510 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.377 -8.800 -4.313 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.951 -10.367 -3.779 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.807 -9.795 -5.843 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.600 -10.537 -4.269 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.517 -12.234 -5.828 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.048 -12.369 -5.107 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.895 -11.685 -6.653 1.00 30.06 H new ATOM 541 N GLU A 34 -7.558 -8.044 -4.629 1.00 10.11 N ATOM 542 CA GLU A 34 -8.757 -7.907 -3.814 1.00 10.07 C ATOM 543 C GLU A 34 -9.853 -7.074 -4.386 1.00 9.32 C ATOM 544 O GLU A 34 -11.018 -7.293 -4.047 1.00 11.61 O ATOM 545 CB GLU A 34 -8.403 -7.112 -2.518 1.00 14.77 C ATOM 546 CG GLU A 34 -7.403 -7.822 -1.620 1.00 18.75 C ATOM 547 CD GLU A 34 -7.948 -9.162 -1.286 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.836 -10.183 -2.030 1.00 21.95 O ATOM 549 OE2 GLU A 34 -8.509 -9.293 -0.181 1.00 25.19 O ATOM 0 H GLU A 34 -6.792 -7.444 -4.324 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.090 -8.938 -3.694 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.000 -6.139 -2.798 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.317 -6.928 -1.954 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.441 -7.918 -2.124 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.231 -7.245 -0.712 1.00 18.75 H new ATOM 556 N GLY A 35 -9.552 -6.170 -5.372 1.00 7.22 N ATOM 557 CA GLY A 35 -10.663 -5.682 -6.184 1.00 6.29 C ATOM 558 C GLY A 35 -11.029 -4.232 -5.927 1.00 6.93 C ATOM 559 O GLY A 35 -11.998 -3.727 -6.501 1.00 7.41 O ATOM 0 H GLY A 35 -8.627 -5.804 -5.595 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.408 -5.800 -7.237 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.537 -6.305 -5.996 1.00 6.29 H new ATOM 563 N ILE A 36 -10.208 -3.534 -5.150 1.00 5.86 N ATOM 564 CA ILE A 36 -10.536 -2.151 -4.727 1.00 6.07 C ATOM 565 C ILE A 36 -9.742 -1.123 -5.603 1.00 6.36 C ATOM 566 O ILE A 36 -8.503 -1.208 -5.582 1.00 6.18 O ATOM 567 CB ILE A 36 -10.280 -1.870 -3.210 1.00 7.47 C ATOM 568 CG1 ILE A 36 -11.016 -2.894 -2.295 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.852 -0.480 -2.850 1.00 7.36 C ATOM 570 CD1 ILE A 36 -10.198 -4.054 -1.740 1.00 9.49 C ATOM 0 H ILE A 36 -9.318 -3.885 -4.797 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.609 -2.035 -4.878 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.204 -1.937 -3.050 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.441 -2.348 -1.453 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -11.851 -3.310 -2.859 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.677 -0.277 -1.793 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.359 0.283 -3.452 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.923 -0.465 -3.050 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.836 -4.686 -1.122 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -9.794 -4.642 -2.564 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.378 -3.665 -1.136 1.00 9.49 H new ATOM 582 N PRO A 37 -10.287 -0.144 -6.405 1.00 8.65 N ATOM 583 CA PRO A 37 -9.498 0.946 -7.027 1.00 9.18 C ATOM 584 C PRO A 37 -8.527 1.731 -6.129 1.00 9.85 C ATOM 585 O PRO A 37 -8.877 1.926 -4.963 1.00 8.51 O ATOM 586 CB PRO A 37 -10.552 1.869 -7.622 1.00 11.42 C ATOM 587 CG PRO A 37 -11.883 1.055 -7.626 1.00 9.27 C ATOM 588 CD PRO A 37 -11.709 0.028 -6.546 1.00 8.33 C ATOM 0 HA PRO A 37 -8.806 0.501 -7.742 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.653 2.779 -7.030 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.278 2.174 -8.632 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.740 1.698 -7.426 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.056 0.585 -8.594 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.159 0.362 -5.611 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.193 -0.911 -6.815 1.00 8.33 H new ATOM 596 N PRO A 38 -7.356 2.153 -6.584 1.00 8.71 N ATOM 597 CA PRO A 38 -6.269 2.827 -5.825 1.00 9.08 C ATOM 598 C PRO A 38 -6.714 4.096 -5.164 1.00 9.28 C ATOM 599 O PRO A 38 -6.128 4.442 -4.145 1.00 6.50 O ATOM 600 CB PRO A 38 -5.136 3.084 -6.862 1.00 10.31 C ATOM 601 CG PRO A 38 -5.766 2.892 -8.227 1.00 10.81 C ATOM 602 CD PRO A 38 -6.842 1.855 -7.940 1.00 12.00 C ATOM 0 HA PRO A 38 -5.932 2.200 -5.000 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -4.732 4.091 -6.757 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.307 2.391 -6.714 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.187 3.819 -8.615 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.044 2.537 -8.963 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.641 1.909 -8.679 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.432 0.846 -7.987 1.00 12.00 H new ATOM 610 N ASP A 39 -7.754 4.771 -5.752 1.00 11.20 N ATOM 611 CA ASP A 39 -8.541 5.883 -5.265 1.00 14.96 C ATOM 612 C ASP A 39 -9.181 5.716 -3.861 1.00 13.99 C ATOM 613 O ASP A 39 -9.154 6.592 -3.004 1.00 13.75 O ATOM 614 CB ASP A 39 -9.555 6.234 -6.408 1.00 24.16 C ATOM 615 CG ASP A 39 -10.145 7.664 -6.390 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.389 8.632 -6.653 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.372 7.821 -6.051 1.00 34.22 O ATOM 0 H ASP A 39 -8.071 4.493 -6.681 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.878 6.723 -5.058 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.056 6.082 -7.365 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.380 5.523 -6.362 1.00 24.16 H new ATOM 622 N GLN A 40 -9.671 4.484 -3.585 1.00 11.60 N ATOM 623 CA GLN A 40 -10.400 4.265 -2.321 1.00 10.76 C ATOM 624 C GLN A 40 -9.549 3.560 -1.294 1.00 8.01 C ATOM 625 O GLN A 40 -10.017 3.232 -0.223 1.00 8.96 O ATOM 626 CB GLN A 40 -11.585 3.356 -2.653 1.00 11.14 C ATOM 627 CG GLN A 40 -12.489 3.978 -3.743 1.00 14.85 C ATOM 628 CD GLN A 40 -13.521 2.962 -4.404 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.835 1.970 -3.840 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.023 3.239 -5.621 1.00 18.16 N ATOM 0 H GLN A 40 -9.581 3.667 -4.188 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.699 5.228 -1.907 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.218 2.387 -2.992 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.171 3.177 -1.752 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.045 4.808 -3.306 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -11.857 4.395 -4.527 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.749 4.095 -6.103 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.677 2.593 -6.062 1.00 18.16 H new ATOM 639 N GLN A 41 -8.305 3.357 -1.631 1.00 6.52 N ATOM 640 CA GLN A 41 -7.399 2.635 -0.816 1.00 3.87 C ATOM 641 C GLN A 41 -6.424 3.615 -0.093 1.00 4.79 C ATOM 642 O GLN A 41 -6.117 4.691 -0.546 1.00 6.34 O ATOM 643 CB GLN A 41 -6.507 1.717 -1.629 1.00 4.20 C ATOM 644 CG GLN A 41 -7.167 0.438 -2.141 1.00 3.20 C ATOM 645 CD GLN A 41 -6.071 -0.415 -2.849 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.024 -0.636 -2.258 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.298 -0.812 -4.125 1.00 7.13 N ATOM 0 H GLN A 41 -7.896 3.701 -2.500 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.014 2.064 -0.121 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.125 2.275 -2.484 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.647 1.441 -1.019 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.611 -0.119 -1.316 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.973 0.676 -2.835 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.190 -0.602 -4.573 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.577 -1.320 -4.637 1.00 7.13 H new ATOM 656 N ARG A 42 -5.919 3.219 1.087 1.00 5.73 N ATOM 657 CA ARG A 42 -4.958 3.997 1.848 1.00 6.97 C ATOM 658 C ARG A 42 -3.920 2.999 2.281 1.00 7.15 C ATOM 659 O ARG A 42 -4.139 1.798 2.241 1.00 7.33 O ATOM 660 CB ARG A 42 -5.588 4.762 3.044 1.00 13.23 C ATOM 661 CG ARG A 42 -6.785 5.641 2.650 1.00 21.27 C ATOM 662 CD ARG A 42 -7.202 6.433 3.865 1.00 26.14 C ATOM 663 NE ARG A 42 -7.931 7.649 3.415 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.377 8.670 4.200 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.817 8.500 5.439 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.478 9.878 3.611 1.00 36.39 N ATOM 0 H ARG A 42 -6.176 2.339 1.534 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.531 4.797 1.244 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.909 4.042 3.797 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.825 5.388 3.507 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.514 6.310 1.833 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.611 5.024 2.296 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.839 5.828 4.510 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.327 6.713 4.452 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.116 7.727 2.415 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.833 7.567 5.851 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.139 9.302 5.980 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.226 9.989 2.629 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.806 10.681 4.147 1.00 36.39 H new ATOM 680 N LEU A 43 -2.808 3.487 2.845 1.00 4.65 N ATOM 681 CA LEU A 43 -1.755 2.654 3.358 1.00 3.51 C ATOM 682 C LEU A 43 -1.150 3.342 4.602 1.00 5.56 C ATOM 683 O LEU A 43 -0.733 4.496 4.528 1.00 4.19 O ATOM 684 CB LEU A 43 -0.665 2.342 2.307 1.00 3.74 C ATOM 685 CG LEU A 43 -0.888 1.034 1.523 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.222 0.853 0.515 1.00 9.55 C ATOM 687 CD2 LEU A 43 -0.958 -0.196 2.450 1.00 6.41 C ATOM 0 H LEU A 43 -2.629 4.485 2.951 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.182 1.689 3.630 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.612 3.170 1.600 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.301 2.290 2.809 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.848 1.113 1.014 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.063 -0.072 -0.039 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.225 1.695 -0.178 1.00 9.55 H new ATOM 0 HD13 LEU A 43 1.180 0.806 1.033 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.116 -1.094 1.852 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.023 -0.288 3.003 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.784 -0.077 3.151 1.00 6.41 H new ATOM 699 N ILE A 44 -0.888 2.561 5.660 1.00 4.58 N ATOM 700 CA ILE A 44 -0.238 3.048 6.872 1.00 5.55 C ATOM 701 C ILE A 44 1.056 2.307 7.148 1.00 5.46 C ATOM 702 O ILE A 44 1.083 1.090 7.251 1.00 6.04 O ATOM 703 CB ILE A 44 -1.180 3.213 8.147 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.369 4.165 7.771 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.374 3.636 9.379 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.587 3.426 7.334 1.00 13.90 C ATOM 0 H ILE A 44 -1.125 1.569 5.693 1.00 4.58 H new ATOM 0 HA ILE A 44 0.026 4.083 6.654 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.620 2.258 8.435 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.616 4.787 8.632 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.052 4.837 6.973 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.043 3.741 10.233 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.379 2.879 9.599 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.116 4.590 9.183 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.375 4.137 7.087 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.352 2.825 6.455 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.926 2.774 8.139 1.00 13.90 H new ATOM 718 N PHE A 45 2.198 3.099 7.173 1.00 6.75 N ATOM 719 CA PHE A 45 3.508 2.560 7.491 1.00 4.70 C ATOM 720 C PHE A 45 4.199 3.549 8.379 1.00 6.34 C ATOM 721 O PHE A 45 4.142 4.695 8.021 1.00 5.45 O ATOM 722 CB PHE A 45 4.402 2.271 6.212 1.00 5.51 C ATOM 723 CG PHE A 45 5.776 1.744 6.578 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.022 0.846 7.580 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.831 2.386 5.939 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.320 0.527 7.988 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.162 2.094 6.326 1.00 6.64 C ATOM 728 CZ PHE A 45 8.392 1.198 7.352 1.00 6.84 C ATOM 0 H PHE A 45 2.196 4.099 6.973 1.00 6.75 H new ATOM 0 HA PHE A 45 3.369 1.596 7.981 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.896 1.547 5.574 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.509 3.187 5.632 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.187 0.369 8.071 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.637 3.102 5.154 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.499 -0.206 8.761 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.991 2.569 5.822 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.405 1.007 7.674 1.00 6.84 H new ATOM 738 N ALA A 46 4.663 3.142 9.552 1.00 6.53 N ATOM 739 CA ALA A 46 5.391 3.890 10.601 1.00 7.15 C ATOM 740 C ALA A 46 4.521 4.964 11.235 1.00 9.00 C ATOM 741 O ALA A 46 4.891 6.117 11.459 1.00 11.15 O ATOM 742 CB ALA A 46 6.659 4.555 9.988 1.00 8.99 C ATOM 0 H ALA A 46 4.530 2.171 9.836 1.00 6.53 H new ATOM 0 HA ALA A 46 5.674 3.179 11.377 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.192 5.105 10.763 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.311 3.785 9.576 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.362 5.242 9.195 1.00 8.99 H new ATOM 748 N GLY A 47 3.256 4.540 11.431 1.00 9.35 N ATOM 749 CA GLY A 47 2.132 5.205 12.042 1.00 11.68 C ATOM 750 C GLY A 47 1.514 6.276 11.133 1.00 11.14 C ATOM 751 O GLY A 47 0.685 7.057 11.585 1.00 13.93 O ATOM 0 H GLY A 47 2.987 3.607 11.119 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.372 4.466 12.296 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.452 5.667 12.976 1.00 11.68 H new ATOM 755 N LYS A 48 1.897 6.393 9.852 1.00 10.47 N ATOM 756 CA LYS A 48 1.280 7.509 8.984 1.00 8.82 C ATOM 757 C LYS A 48 0.829 6.995 7.634 1.00 7.68 C ATOM 758 O LYS A 48 1.180 5.913 7.212 1.00 6.47 O ATOM 759 CB LYS A 48 2.378 8.607 8.782 1.00 9.74 C ATOM 760 CG LYS A 48 3.815 8.144 8.364 1.00 14.14 C ATOM 761 CD LYS A 48 4.787 9.318 8.434 1.00 16.32 C ATOM 762 CE LYS A 48 6.239 8.931 8.025 1.00 20.04 C ATOM 763 NZ LYS A 48 7.158 10.074 7.968 1.00 23.92 N ATOM 0 H LYS A 48 2.578 5.795 9.384 1.00 10.47 H new ATOM 0 HA LYS A 48 0.398 7.906 9.487 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.018 9.303 8.024 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.465 9.167 9.713 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.153 7.343 9.022 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.795 7.739 7.352 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.432 10.116 7.782 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.795 9.716 9.449 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.625 8.200 8.736 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.216 8.445 7.049 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.105 9.745 7.690 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.812 10.763 7.270 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.209 10.525 8.904 1.00 23.92 H new ATOM 777 N GLN A 49 -0.042 7.817 6.954 1.00 8.89 N ATOM 778 CA GLN A 49 -0.515 7.592 5.646 1.00 7.18 C ATOM 779 C GLN A 49 0.524 7.793 4.510 1.00 8.23 C ATOM 780 O GLN A 49 1.461 8.591 4.596 1.00 9.70 O ATOM 781 CB GLN A 49 -1.794 8.470 5.344 1.00 11.67 C ATOM 782 CG GLN A 49 -3.009 7.993 6.181 1.00 15.82 C ATOM 783 CD GLN A 49 -4.335 8.654 5.735 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.511 9.026 4.586 1.00 23.23 O ATOM 785 NE2 GLN A 49 -5.290 8.790 6.660 1.00 20.67 N ATOM 0 H GLN A 49 -0.415 8.672 7.366 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.761 6.530 5.639 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.582 9.516 5.568 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.035 8.414 4.282 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.101 6.910 6.097 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.831 8.217 7.233 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -5.124 8.473 7.615 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -6.185 9.211 6.411 1.00 20.67 H new ATOM 794 N LEU A 50 0.426 7.049 3.385 1.00 6.51 N ATOM 795 CA LEU A 50 1.394 7.109 2.299 1.00 7.41 C ATOM 796 C LEU A 50 0.740 7.706 1.055 1.00 8.27 C ATOM 797 O LEU A 50 -0.375 7.293 0.715 1.00 8.34 O ATOM 798 CB LEU A 50 1.926 5.711 1.939 1.00 7.13 C ATOM 799 CG LEU A 50 2.389 4.837 3.135 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.894 3.485 2.550 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.502 5.448 3.965 1.00 9.11 C ATOM 0 H LEU A 50 -0.335 6.391 3.217 1.00 6.51 H new ATOM 0 HA LEU A 50 2.224 7.730 2.635 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.145 5.173 1.401 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.764 5.828 1.252 1.00 7.13 H new ATOM 0 HG LEU A 50 1.537 4.727 3.807 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.230 2.840 3.362 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.083 2.997 2.010 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.724 3.671 1.868 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.763 4.771 4.778 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.376 5.613 3.336 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.167 6.399 4.378 1.00 9.11 H new ATOM 813 N GLU A 51 1.360 8.779 0.475 1.00 9.43 N ATOM 814 CA GLU A 51 0.833 9.539 -0.641 1.00 11.90 C ATOM 815 C GLU A 51 1.181 8.965 -2.054 1.00 11.49 C ATOM 816 O GLU A 51 2.230 8.337 -2.196 1.00 9.88 O ATOM 817 CB GLU A 51 1.389 11.026 -0.642 1.00 16.56 C ATOM 818 CG GLU A 51 1.105 11.688 0.731 1.00 26.06 C ATOM 819 CD GLU A 51 1.702 13.087 0.865 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.428 13.972 0.012 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.481 13.354 1.792 1.00 33.44 O ATOM 0 H GLU A 51 2.262 9.126 0.799 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.245 9.487 -0.487 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.461 11.024 -0.842 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.917 11.601 -1.439 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.027 11.745 0.882 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.505 11.053 1.522 1.00 26.06 H new ATOM 828 N ASP A 52 0.329 9.154 -2.993 1.00 12.71 N ATOM 829 CA ASP A 52 0.287 8.384 -4.215 1.00 16.56 C ATOM 830 C ASP A 52 1.483 8.586 -5.130 1.00 15.83 C ATOM 831 O ASP A 52 1.877 7.644 -5.787 1.00 17.21 O ATOM 832 CB ASP A 52 -0.889 8.700 -5.060 1.00 21.05 C ATOM 833 CG ASP A 52 -2.174 8.393 -4.269 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.686 7.276 -4.245 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.624 9.346 -3.592 1.00 28.37 O ATOM 0 H ASP A 52 -0.393 9.873 -2.945 1.00 12.71 H new ATOM 0 HA ASP A 52 0.260 7.363 -3.835 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.870 9.749 -5.354 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.862 8.112 -5.977 1.00 21.05 H new ATOM 840 N GLY A 53 1.941 9.822 -5.198 1.00 15.00 N ATOM 841 CA GLY A 53 3.121 10.026 -6.024 1.00 11.77 C ATOM 842 C GLY A 53 4.474 9.838 -5.470 1.00 11.10 C ATOM 843 O GLY A 53 5.485 10.064 -6.097 1.00 11.25 O ATOM 0 H GLY A 53 1.554 10.643 -4.733 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.031 9.359 -6.881 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.071 11.045 -6.407 1.00 11.77 H new ATOM 847 N ARG A 54 4.566 9.492 -4.170 1.00 8.53 N ATOM 848 CA ARG A 54 5.704 9.073 -3.447 1.00 9.05 C ATOM 849 C ARG A 54 6.085 7.642 -3.752 1.00 8.96 C ATOM 850 O ARG A 54 5.299 6.734 -4.019 1.00 11.60 O ATOM 851 CB ARG A 54 5.380 9.104 -1.943 1.00 7.97 C ATOM 852 CG ARG A 54 5.128 10.476 -1.364 1.00 9.62 C ATOM 853 CD ARG A 54 6.424 11.305 -1.321 1.00 12.20 C ATOM 854 NE ARG A 54 5.975 12.637 -0.643 1.00 18.23 N ATOM 855 CZ ARG A 54 6.828 13.502 -0.121 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.119 13.209 0.035 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.358 14.723 0.249 1.00 23.38 N ATOM 0 H ARG A 54 3.740 9.514 -3.572 1.00 8.53 H new ATOM 0 HA ARG A 54 6.517 9.743 -3.727 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.500 8.486 -1.765 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.207 8.645 -1.401 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.380 10.995 -1.963 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.720 10.380 -0.358 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.203 10.804 -0.747 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.825 11.477 -2.320 1.00 12.20 H new ATOM 0 HE ARG A 54 4.978 12.850 -0.601 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.473 12.296 -0.252 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.753 13.897 0.441 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.372 14.950 0.121 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.992 15.412 0.655 1.00 23.38 H new ATOM 871 N THR A 55 7.380 7.316 -3.656 1.00 9.05 N ATOM 872 CA THR A 55 7.897 5.964 -3.906 1.00 9.03 C ATOM 873 C THR A 55 8.246 5.240 -2.579 1.00 8.15 C ATOM 874 O THR A 55 8.469 5.884 -1.541 1.00 5.91 O ATOM 875 CB THR A 55 9.082 5.986 -4.875 1.00 11.15 C ATOM 876 OG1 THR A 55 10.156 6.744 -4.398 1.00 11.95 O ATOM 877 CG2 THR A 55 8.740 6.571 -6.246 1.00 11.71 C ATOM 0 H THR A 55 8.104 7.988 -3.401 1.00 9.05 H new ATOM 0 HA THR A 55 7.104 5.391 -4.387 1.00 9.03 H new ATOM 0 HB THR A 55 9.348 4.933 -4.965 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.886 6.725 -5.052 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.627 6.555 -6.880 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.952 5.977 -6.709 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.397 7.599 -6.128 1.00 11.71 H new ATOM 885 N LEU A 56 8.393 3.950 -2.724 1.00 6.91 N ATOM 886 CA LEU A 56 8.735 2.962 -1.681 1.00 8.29 C ATOM 887 C LEU A 56 10.073 3.274 -0.979 1.00 8.05 C ATOM 888 O LEU A 56 10.058 3.312 0.236 1.00 10.17 O ATOM 889 CB LEU A 56 8.758 1.501 -2.174 1.00 6.60 C ATOM 890 CG LEU A 56 7.389 0.906 -2.465 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.692 -0.365 -3.251 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.584 0.590 -1.232 1.00 8.64 C ATOM 0 H LEU A 56 8.272 3.508 -3.635 1.00 6.91 H new ATOM 0 HA LEU A 56 7.919 3.058 -0.965 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.362 1.447 -3.080 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.254 0.886 -1.423 1.00 6.60 H new ATOM 0 HG LEU A 56 6.770 1.621 -3.007 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.758 -0.866 -3.507 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.229 -0.109 -4.164 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.306 -1.030 -2.644 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.622 0.170 -1.524 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.125 -0.132 -0.620 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.422 1.503 -0.659 1.00 8.64 H new ATOM 904 N SER A 57 11.089 3.692 -1.813 1.00 8.92 N ATOM 905 CA SER A 57 12.348 4.174 -1.297 1.00 9.00 C ATOM 906 C SER A 57 12.305 5.494 -0.611 1.00 9.44 C ATOM 907 O SER A 57 12.957 5.604 0.424 1.00 10.91 O ATOM 908 CB SER A 57 13.446 4.222 -2.360 1.00 10.32 C ATOM 909 OG SER A 57 13.197 5.119 -3.459 1.00 13.59 O ATOM 0 H SER A 57 11.025 3.691 -2.831 1.00 8.92 H new ATOM 0 HA SER A 57 12.582 3.426 -0.540 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.381 4.511 -1.881 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.589 3.217 -2.757 1.00 10.32 H new ATOM 0 HG SER A 57 13.950 5.085 -4.086 1.00 13.59 H new ATOM 915 N ASP A 58 11.525 6.542 -0.999 1.00 9.11 N ATOM 916 CA ASP A 58 11.385 7.764 -0.259 1.00 7.91 C ATOM 917 C ASP A 58 10.790 7.647 1.129 1.00 9.12 C ATOM 918 O ASP A 58 11.135 8.391 2.060 1.00 8.61 O ATOM 919 CB ASP A 58 10.627 8.757 -1.212 1.00 8.41 C ATOM 920 CG ASP A 58 10.625 10.151 -0.649 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.649 10.765 -0.225 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.507 10.708 -0.614 1.00 10.05 O ATOM 0 H ASP A 58 10.977 6.529 -1.859 1.00 9.11 H new ATOM 0 HA ASP A 58 12.374 8.141 0.002 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.102 8.758 -2.193 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.601 8.417 -1.355 1.00 8.41 H new ATOM 927 N TYR A 59 9.819 6.661 1.235 1.00 7.97 N ATOM 928 CA TYR A 59 9.259 6.293 2.550 1.00 8.45 C ATOM 929 C TYR A 59 9.998 5.166 3.311 1.00 10.98 C ATOM 930 O TYR A 59 9.543 4.849 4.412 1.00 12.95 O ATOM 931 CB TYR A 59 7.785 5.700 2.332 1.00 7.94 C ATOM 932 CG TYR A 59 6.767 6.767 2.154 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.551 7.667 3.200 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.907 6.870 0.983 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.567 8.673 3.156 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.898 7.830 0.974 1.00 6.52 C ATOM 937 CZ TYR A 59 4.755 8.752 2.012 1.00 6.76 C ATOM 938 OH TYR A 59 3.750 9.784 2.086 1.00 7.63 O ATOM 0 H TYR A 59 9.437 6.140 0.445 1.00 7.97 H new ATOM 0 HA TYR A 59 9.326 7.213 3.130 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.783 5.050 1.457 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.514 5.082 3.188 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.167 7.588 4.083 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.049 6.214 0.137 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.440 9.363 3.977 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.209 7.862 0.143 1.00 6.52 H new ATOM 0 HH TYR A 59 4.113 10.620 1.726 1.00 7.63 H new ATOM 948 N ASN A 60 11.127 4.683 2.774 1.00 12.38 N ATOM 949 CA ASN A 60 12.029 3.669 3.315 1.00 13.94 C ATOM 950 C ASN A 60 11.412 2.340 3.647 1.00 14.16 C ATOM 951 O ASN A 60 11.648 1.745 4.696 1.00 14.26 O ATOM 952 CB ASN A 60 12.817 4.295 4.526 1.00 19.23 C ATOM 953 CG ASN A 60 14.030 3.512 5.031 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.091 3.225 6.224 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.009 3.173 4.163 1.00 24.09 N ATOM 0 H ASN A 60 11.457 5.025 1.871 1.00 12.38 H new ATOM 0 HA ASN A 60 12.714 3.400 2.511 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.151 5.291 4.237 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.122 4.420 5.357 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.829 2.664 4.493 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.928 3.426 3.178 1.00 24.09 H new ATOM 962 N ILE A 61 10.610 1.799 2.579 1.00 11.08 N ATOM 963 CA ILE A 61 9.846 0.576 2.629 1.00 11.78 C ATOM 964 C ILE A 61 10.815 -0.438 2.117 1.00 13.74 C ATOM 965 O ILE A 61 11.228 -0.434 0.951 1.00 14.60 O ATOM 966 CB ILE A 61 8.460 0.625 2.030 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.595 1.536 2.842 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.932 -0.836 1.827 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.364 2.134 2.151 1.00 11.42 C ATOM 0 H ILE A 61 10.529 2.270 1.678 1.00 11.08 H new ATOM 0 HA ILE A 61 9.508 0.316 3.632 1.00 11.78 H new ATOM 0 HB ILE A 61 8.457 1.064 1.032 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.256 0.986 3.720 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.214 2.358 3.201 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.932 -0.805 1.395 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.601 -1.375 1.156 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.896 -1.347 2.789 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.828 2.773 2.852 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.680 2.724 1.291 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.707 1.330 1.818 1.00 11.42 H new ATOM 981 N GLN A 62 11.247 -1.364 2.961 1.00 13.97 N ATOM 982 CA GLN A 62 12.407 -2.177 2.747 1.00 15.52 C ATOM 983 C GLN A 62 11.936 -3.536 2.432 1.00 13.94 C ATOM 984 O GLN A 62 10.746 -3.836 2.569 1.00 12.15 O ATOM 985 CB GLN A 62 13.379 -2.220 3.967 1.00 19.53 C ATOM 986 CG GLN A 62 14.080 -0.819 4.250 1.00 26.38 C ATOM 987 CD GLN A 62 14.975 -0.916 5.501 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.594 -1.965 5.792 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.118 0.274 6.135 1.00 32.71 N ATOM 0 H GLN A 62 10.773 -1.567 3.841 1.00 13.97 H new ATOM 0 HA GLN A 62 12.983 -1.741 1.931 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.827 -2.530 4.854 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.145 -2.974 3.788 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.678 -0.522 3.388 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.323 -0.048 4.394 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.573 1.082 5.833 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.771 0.362 6.914 1.00 32.71 H new ATOM 998 N LYS A 63 12.870 -4.451 2.081 1.00 11.73 N ATOM 999 CA LYS A 63 12.634 -5.882 1.972 1.00 11.97 C ATOM 1000 C LYS A 63 12.065 -6.536 3.322 1.00 10.41 C ATOM 1001 O LYS A 63 12.510 -6.221 4.419 1.00 9.59 O ATOM 1002 CB LYS A 63 13.914 -6.562 1.367 1.00 13.73 C ATOM 1003 CG LYS A 63 15.104 -6.663 2.395 1.00 16.98 C ATOM 1004 CD LYS A 63 16.291 -7.427 1.746 1.00 20.19 C ATOM 1005 CE LYS A 63 17.519 -7.279 2.665 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.708 -7.782 1.983 1.00 25.97 N ATOM 0 H LYS A 63 13.832 -4.191 1.863 1.00 11.73 H new ATOM 0 HA LYS A 63 11.817 -6.070 1.275 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.657 -7.562 1.019 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.242 -5.995 0.495 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.422 -5.665 2.697 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.776 -7.180 3.297 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.039 -8.479 1.614 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.506 -7.025 0.756 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.659 -6.232 2.936 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.360 -7.829 3.592 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.535 -7.681 2.606 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.574 -8.786 1.746 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.864 -7.238 1.110 1.00 25.97 H new ATOM 1020 N GLU A 64 10.965 -7.407 3.122 1.00 10.04 N ATOM 1021 CA GLU A 64 10.146 -8.021 4.186 1.00 10.94 C ATOM 1022 C GLU A 64 9.359 -7.105 5.168 1.00 9.74 C ATOM 1023 O GLU A 64 8.824 -7.496 6.204 1.00 9.42 O ATOM 1024 CB GLU A 64 10.863 -9.101 4.969 1.00 18.31 C ATOM 1025 CG GLU A 64 11.886 -9.862 4.117 1.00 24.16 C ATOM 1026 CD GLU A 64 12.626 -10.864 4.975 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.083 -11.412 5.962 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.775 -11.183 4.513 1.00 32.61 O ATOM 0 H GLU A 64 10.656 -7.677 2.188 1.00 10.04 H new ATOM 0 HA GLU A 64 9.371 -8.453 3.552 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.369 -8.651 5.823 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.131 -9.804 5.366 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.381 -10.374 3.298 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.592 -9.162 3.669 1.00 24.16 H new ATOM 1035 N SER A 65 9.125 -5.803 4.786 1.00 6.85 N ATOM 1036 CA SER A 65 8.341 -4.876 5.586 1.00 6.90 C ATOM 1037 C SER A 65 6.841 -5.018 5.442 1.00 4.72 C ATOM 1038 O SER A 65 6.333 -5.447 4.408 1.00 3.91 O ATOM 1039 CB SER A 65 8.804 -3.434 5.234 1.00 7.28 C ATOM 1040 OG SER A 65 8.363 -2.543 6.278 1.00 10.56 O ATOM 0 H SER A 65 9.483 -5.400 3.920 1.00 6.85 H new ATOM 0 HA SER A 65 8.526 -5.112 6.634 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.889 -3.398 5.139 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.389 -3.127 4.274 1.00 7.28 H new ATOM 0 HG SER A 65 8.649 -1.629 6.071 1.00 10.56 H new ATOM 1046 N THR A 66 6.097 -4.534 6.490 1.00 4.48 N ATOM 1047 CA THR A 66 4.640 -4.627 6.518 1.00 3.80 C ATOM 1048 C THR A 66 4.005 -3.293 6.427 1.00 4.60 C ATOM 1049 O THR A 66 4.419 -2.377 7.174 1.00 5.33 O ATOM 1050 CB THR A 66 4.151 -5.056 7.944 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.745 -6.344 8.121 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.677 -5.351 8.064 1.00 3.40 C ATOM 0 H THR A 66 6.502 -4.083 7.310 1.00 4.48 H new ATOM 0 HA THR A 66 4.388 -5.306 5.703 1.00 3.80 H new ATOM 0 HB THR A 66 4.396 -4.250 8.636 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.496 -6.701 8.999 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.446 -5.638 9.090 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.105 -4.462 7.798 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.413 -6.167 7.391 1.00 3.40 H new ATOM 1060 N LEU A 67 3.025 -3.173 5.493 1.00 4.17 N ATOM 1061 CA LEU A 67 2.277 -1.960 5.285 1.00 3.85 C ATOM 1062 C LEU A 67 0.826 -2.312 5.674 1.00 3.80 C ATOM 1063 O LEU A 67 0.314 -3.372 5.407 1.00 5.54 O ATOM 1064 CB LEU A 67 2.292 -1.471 3.828 1.00 7.18 C ATOM 1065 CG LEU A 67 3.703 -1.287 3.250 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.692 -0.877 1.811 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.703 -0.388 4.051 1.00 11.66 C ATOM 0 H LEU A 67 2.750 -3.935 4.873 1.00 4.17 H new ATOM 0 HA LEU A 67 2.717 -1.156 5.875 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.746 -2.184 3.210 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.758 -0.523 3.767 1.00 7.18 H new ATOM 0 HG LEU A 67 4.101 -2.297 3.352 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.717 -0.762 1.458 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.187 -1.640 1.219 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.164 0.071 1.707 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.657 -0.349 3.526 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.296 0.619 4.140 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.853 -0.808 5.046 1.00 11.66 H new ATOM 1079 N HIS A 68 0.052 -1.317 6.246 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.266 -1.543 6.832 1.00 4.17 C ATOM 1081 C HIS A 68 -2.337 -0.986 5.867 1.00 5.32 C ATOM 1082 O HIS A 68 -2.386 0.218 5.697 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.416 -1.040 8.244 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.217 -1.662 9.001 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.006 -1.006 9.264 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.035 -2.902 9.499 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.766 -1.853 9.974 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.197 -2.985 10.174 1.00 16.30 N ATOM 0 H HIS A 68 0.355 -0.344 6.298 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.406 -2.618 6.944 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.390 0.049 8.283 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.366 -1.352 8.679 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.263 -0.064 8.969 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.736 -3.717 9.394 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.753 -1.608 10.339 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.156 -1.856 5.190 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.217 -1.372 4.328 1.00 3.97 C ATOM 1098 C LEU A 69 -5.425 -1.019 5.129 1.00 5.07 C ATOM 1099 O LEU A 69 -5.932 -1.765 5.980 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.529 -2.453 3.258 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.839 -2.284 2.388 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.846 -0.952 1.541 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.874 -3.423 1.361 1.00 9.96 C ATOM 0 H LEU A 69 -3.081 -2.872 5.242 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.897 -0.462 3.821 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.680 -2.502 2.576 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.587 -3.416 3.764 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.682 -2.278 3.079 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.769 -0.892 0.965 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.780 -0.095 2.211 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.994 -0.948 0.861 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.769 -3.331 0.746 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.990 -3.367 0.726 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.888 -4.381 1.881 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.816 0.223 4.908 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.073 0.845 5.480 1.00 6.26 C ATOM 1117 C VAL A 70 -7.900 1.391 4.257 1.00 9.22 C ATOM 1118 O VAL A 70 -7.301 1.916 3.314 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.830 1.922 6.517 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.087 2.612 7.067 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.267 1.180 7.722 1.00 8.54 C ATOM 0 H VAL A 70 -5.285 0.867 4.321 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.621 0.082 6.034 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.210 2.684 6.044 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.798 3.364 7.801 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.626 3.091 6.250 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.731 1.871 7.541 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.062 1.890 8.523 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.992 0.443 8.067 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.343 0.675 7.439 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.258 1.291 4.149 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.962 1.936 3.104 1.00 16.06 C ATOM 1133 C LEU A 71 -10.385 3.350 3.495 1.00 18.09 C ATOM 1134 O LEU A 71 -10.471 3.767 4.672 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.079 0.986 2.574 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.555 -0.337 2.062 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.676 -1.300 1.704 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.605 -0.219 0.832 1.00 19.57 C ATOM 0 H LEU A 71 -9.846 0.761 4.793 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.313 2.118 2.248 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.795 0.799 3.374 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.621 1.488 1.772 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.976 -0.725 2.900 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.250 -2.236 1.341 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.283 -1.496 2.588 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.299 -0.860 0.926 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.276 -1.213 0.530 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.136 0.254 0.006 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.738 0.385 1.099 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.624 4.159 2.463 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.783 5.614 2.414 1.00 25.83 C ATOM 1152 C ARG A 72 -12.056 6.137 3.120 1.00 27.74 C ATOM 1153 O ARG A 72 -13.116 5.504 3.080 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.602 6.184 1.029 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.630 7.742 0.921 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.025 8.213 -0.409 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.999 9.649 -0.526 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.378 10.288 -1.556 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.753 9.577 -2.485 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.237 11.588 -1.597 1.00 35.02 N ATOM 0 H ARG A 72 -10.723 3.762 1.529 1.00 21.47 H new ATOM 0 HA ARG A 72 -9.956 6.000 3.010 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.650 5.829 0.633 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.385 5.781 0.387 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.657 8.097 1.003 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.075 8.178 1.752 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.010 7.826 -0.500 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.601 7.795 -1.235 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.463 10.208 0.190 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.740 8.559 -2.425 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.286 10.048 -3.259 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.599 12.164 -0.838 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.765 12.025 -2.388 1.00 35.02 H new ATOM 1174 N LEU A 73 -11.925 7.320 3.835 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.044 8.053 4.323 1.00 30.76 C ATOM 1176 C LEU A 73 -12.897 9.474 3.673 1.00 32.18 C ATOM 1177 O LEU A 73 -11.815 10.121 3.832 1.00 32.31 O ATOM 1178 CB LEU A 73 -13.205 8.077 5.879 1.00 30.53 C ATOM 1179 CG LEU A 73 -13.572 6.778 6.564 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -13.567 7.044 8.053 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -14.959 6.244 6.093 1.00 29.11 C ATOM 0 H LEU A 73 -11.024 7.743 4.059 1.00 28.93 H new ATOM 0 HA LEU A 73 -13.976 7.566 4.038 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -12.268 8.431 6.309 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -13.968 8.815 6.127 1.00 30.53 H new ATOM 0 HG LEU A 73 -12.850 6.003 6.306 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -13.827 6.130 8.587 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -12.574 7.373 8.360 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -14.295 7.821 8.286 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.184 5.311 6.609 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.729 6.980 6.323 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.935 6.067 5.018 1.00 29.11 H new ATOM 1193 N ARG A 74 -13.930 9.944 2.950 1.00 33.82 N ATOM 1194 CA ARG A 74 -13.867 11.274 2.178 1.00 35.33 C ATOM 1195 C ARG A 74 -14.048 12.391 3.175 1.00 36.22 C ATOM 1196 O ARG A 74 -13.770 13.530 2.926 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.061 11.366 1.154 1.00 36.91 C ATOM 1198 CG ARG A 74 -14.941 10.355 0.013 1.00 38.62 C ATOM 1199 CD ARG A 74 -13.810 10.784 -0.958 1.00 39.75 C ATOM 1200 NE ARG A 74 -13.620 9.665 -1.955 1.00 41.13 N ATOM 1201 CZ ARG A 74 -12.867 9.814 -3.027 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -12.127 10.869 -3.296 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -12.695 8.749 -3.787 1.00 41.93 N ATOM 0 H ARG A 74 -14.822 9.457 2.862 1.00 33.82 H new ATOM 0 HA ARG A 74 -12.917 11.341 1.648 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.000 11.201 1.682 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.101 12.373 0.739 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -14.730 9.364 0.415 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.887 10.287 -0.525 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -14.073 11.711 -1.467 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -12.886 10.972 -0.411 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.086 8.772 -1.795 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -12.107 11.656 -2.648 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -11.574 10.899 -4.152 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.136 7.865 -3.533 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -12.121 8.810 -4.628 1.00 41.93 H new ATOM 1217 N GLY A 75 -14.442 12.096 4.426 1.00 36.31 N ATOM 1218 CA GLY A 75 -14.633 13.053 5.529 1.00 36.07 C ATOM 1219 C GLY A 75 -13.396 13.451 6.347 1.00 36.16 C ATOM 1220 O GLY A 75 -13.463 14.335 7.138 1.00 36.26 O ATOM 0 H GLY A 75 -14.646 11.137 4.709 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.068 13.962 5.114 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -15.368 12.633 6.215 1.00 36.07 H new ATOM 1224 N GLY A 76 -12.230 12.835 5.973 1.00 36.05 N ATOM 1225 CA GLY A 76 -11.040 13.091 6.708 1.00 36.19 C ATOM 1226 C GLY A 76 -9.877 12.302 6.106 1.00 36.20 C ATOM 1227 O GLY A 76 -9.640 11.125 6.511 1.00 0.00 O ATOM 1228 OXT GLY A 76 -9.169 12.859 5.216 1.00 0.00 O ATOM 0 H GLY A 76 -12.132 12.188 5.190 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -10.814 14.157 6.692 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -11.179 12.810 7.752 1.00 36.19 H new TER 1232 GLY A 76