USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 440 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 24 ASN : amide:sc= -4.18! C(o=-5.4!,f=-8.3!) USER MOD Set 1.2: A 31 GLN : amide:sc= -1.24 K(o=-5.4,f=-4.7!) USER MOD Single : A 1 ARG N :NH3+ 154:sc= 0.0187 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -26:sc= 0.905 USER MOD Single : A 15 LYS NZ :NH3+ 150:sc= -0.262 (180deg=-1.92!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -31:sc= 0.0764 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -91:sc= 0.126 USER MOD Single : A 35 TYR OH : rot 163:sc= -5.51! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.211 K(o=-0.21,f=-13!) USER MOD Single : A 44 ASN : amide:sc= -9.09! C(o=-9.1!,f=-24!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -90:sc= 1.21 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 109:sc= -0.0592 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 14.738 -4.763 5.393 1.00 0.00 N ATOM 2 CA ARG A 1 13.496 -4.169 4.816 1.00 0.00 C ATOM 3 C ARG A 1 12.346 -5.181 4.901 1.00 0.00 C ATOM 4 O ARG A 1 12.570 -6.375 4.930 1.00 0.00 O ATOM 5 CB ARG A 1 13.869 -3.840 3.357 1.00 0.00 C ATOM 6 CG ARG A 1 12.729 -4.212 2.398 1.00 0.00 C ATOM 7 CD ARG A 1 12.805 -3.329 1.151 1.00 0.00 C ATOM 8 NE ARG A 1 13.391 -4.207 0.101 1.00 0.00 N ATOM 9 CZ ARG A 1 14.662 -4.123 -0.182 1.00 0.00 C ATOM 10 NH1 ARG A 1 15.125 -3.073 -0.802 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.469 -5.091 0.159 1.00 0.00 N ATOM 0 H1 ARG A 1 15.571 -4.310 4.965 1.00 0.00 H new ATOM 0 H2 ARG A 1 14.751 -4.610 6.422 1.00 0.00 H new ATOM 0 H3 ARG A 1 14.759 -5.784 5.195 1.00 0.00 H new ATOM 0 HA ARG A 1 13.155 -3.281 5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 1 14.092 -2.777 3.266 1.00 0.00 H new ATOM 0 HB3 ARG A 1 14.774 -4.381 3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 1 12.803 -5.263 2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 1 11.766 -4.081 2.892 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.818 -2.969 0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.427 -2.451 1.325 1.00 0.00 H new ATOM 0 HE ARG A 1 12.800 -4.873 -0.396 1.00 0.00 H new ATOM 0 HH11 ARG A 1 14.493 -2.317 -1.066 1.00 0.00 H new ATOM 0 HH12 ARG A 1 16.119 -3.008 -1.023 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.105 -5.911 0.645 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.463 -5.028 -0.061 1.00 0.00 H new ATOM 27 N PRO A 2 11.149 -4.661 4.932 1.00 0.00 N ATOM 28 CA PRO A 2 9.942 -5.522 5.008 1.00 0.00 C ATOM 29 C PRO A 2 9.711 -6.270 3.700 1.00 0.00 C ATOM 30 O PRO A 2 10.171 -5.872 2.647 1.00 0.00 O ATOM 31 CB PRO A 2 8.806 -4.537 5.247 1.00 0.00 C ATOM 32 CG PRO A 2 9.310 -3.233 4.714 1.00 0.00 C ATOM 33 CD PRO A 2 10.803 -3.235 4.903 1.00 0.00 C ATOM 0 HA PRO A 2 10.029 -6.282 5.784 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.897 -4.849 4.733 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.563 -4.463 6.307 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.054 -3.121 3.661 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.854 -2.397 5.244 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.310 -2.717 4.089 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.090 -2.735 5.828 1.00 0.00 H new ATOM 41 N ASP A 3 8.976 -7.342 3.763 1.00 0.00 N ATOM 42 CA ASP A 3 8.681 -8.117 2.532 1.00 0.00 C ATOM 43 C ASP A 3 7.295 -7.734 2.010 1.00 0.00 C ATOM 44 O ASP A 3 7.016 -7.850 0.833 1.00 0.00 O ATOM 45 CB ASP A 3 8.708 -9.582 2.967 1.00 0.00 C ATOM 46 CG ASP A 3 9.216 -10.446 1.811 1.00 0.00 C ATOM 47 OD1 ASP A 3 9.431 -9.901 0.740 1.00 0.00 O ATOM 48 OD2 ASP A 3 9.383 -11.637 2.017 1.00 0.00 O ATOM 0 H ASP A 3 8.565 -7.716 4.619 1.00 0.00 H new ATOM 0 HA ASP A 3 9.395 -7.924 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.354 -9.703 3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.710 -9.903 3.264 1.00 0.00 H new ATOM 53 N PHE A 4 6.420 -7.269 2.870 1.00 0.00 N ATOM 54 CA PHE A 4 5.060 -6.885 2.384 1.00 0.00 C ATOM 55 C PHE A 4 5.153 -5.659 1.471 1.00 0.00 C ATOM 56 O PHE A 4 4.282 -5.411 0.662 1.00 0.00 O ATOM 57 CB PHE A 4 4.208 -6.605 3.629 1.00 0.00 C ATOM 58 CG PHE A 4 4.785 -5.478 4.455 1.00 0.00 C ATOM 59 CD1 PHE A 4 4.390 -4.153 4.218 1.00 0.00 C ATOM 60 CD2 PHE A 4 5.693 -5.762 5.484 1.00 0.00 C ATOM 61 CE1 PHE A 4 4.907 -3.120 5.005 1.00 0.00 C ATOM 62 CE2 PHE A 4 6.204 -4.723 6.271 1.00 0.00 C ATOM 63 CZ PHE A 4 5.809 -3.404 6.030 1.00 0.00 C ATOM 0 H PHE A 4 6.585 -7.141 3.868 1.00 0.00 H new ATOM 0 HA PHE A 4 4.605 -7.680 1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.192 -6.352 3.326 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.144 -7.507 4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.687 -3.931 3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.998 -6.781 5.670 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.607 -2.099 4.819 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.904 -4.941 7.065 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.203 -2.603 6.639 1.00 0.00 H new ATOM 73 N CYS A 5 6.212 -4.904 1.580 1.00 0.00 N ATOM 74 CA CYS A 5 6.364 -3.710 0.698 1.00 0.00 C ATOM 75 C CYS A 5 6.795 -4.161 -0.699 1.00 0.00 C ATOM 76 O CYS A 5 6.565 -3.486 -1.682 1.00 0.00 O ATOM 77 CB CYS A 5 7.454 -2.861 1.353 1.00 0.00 C ATOM 78 SG CYS A 5 6.862 -2.252 2.951 1.00 0.00 S ATOM 0 H CYS A 5 6.976 -5.060 2.238 1.00 0.00 H new ATOM 0 HA CYS A 5 5.436 -3.149 0.587 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.359 -3.453 1.490 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.716 -2.023 0.706 1.00 0.00 H new ATOM 83 N LEU A 6 7.411 -5.310 -0.789 1.00 0.00 N ATOM 84 CA LEU A 6 7.849 -5.822 -2.117 1.00 0.00 C ATOM 85 C LEU A 6 6.680 -6.530 -2.803 1.00 0.00 C ATOM 86 O LEU A 6 6.669 -6.719 -4.004 1.00 0.00 O ATOM 87 CB LEU A 6 8.971 -6.814 -1.812 1.00 0.00 C ATOM 88 CG LEU A 6 9.960 -6.184 -0.828 1.00 0.00 C ATOM 89 CD1 LEU A 6 11.136 -7.136 -0.610 1.00 0.00 C ATOM 90 CD2 LEU A 6 10.477 -4.863 -1.398 1.00 0.00 C ATOM 0 H LEU A 6 7.629 -5.916 0.002 1.00 0.00 H new ATOM 0 HA LEU A 6 8.185 -5.027 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.556 -7.729 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.485 -7.091 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 6 9.458 -5.999 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.841 -6.689 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.770 -8.079 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.636 -7.320 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.181 -4.415 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.979 -5.048 -2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.640 -4.183 -1.556 1.00 0.00 H new ATOM 102 N GLU A 7 5.692 -6.920 -2.043 1.00 0.00 N ATOM 103 CA GLU A 7 4.517 -7.615 -2.642 1.00 0.00 C ATOM 104 C GLU A 7 3.545 -6.588 -3.225 1.00 0.00 C ATOM 105 O GLU A 7 3.619 -5.415 -2.916 1.00 0.00 O ATOM 106 CB GLU A 7 3.866 -8.365 -1.479 1.00 0.00 C ATOM 107 CG GLU A 7 4.592 -9.694 -1.259 1.00 0.00 C ATOM 108 CD GLU A 7 3.584 -10.760 -0.828 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.686 -11.047 -1.603 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.727 -11.273 0.270 1.00 0.00 O ATOM 0 H GLU A 7 5.648 -6.787 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 7 4.800 -8.287 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.909 -7.761 -0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.812 -8.545 -1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.094 -10.003 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.363 -9.578 -0.497 1.00 0.00 H new ATOM 117 N PRO A 8 2.657 -7.067 -4.051 1.00 0.00 N ATOM 118 CA PRO A 8 1.652 -6.180 -4.691 1.00 0.00 C ATOM 119 C PRO A 8 0.642 -5.684 -3.651 1.00 0.00 C ATOM 120 O PRO A 8 0.495 -6.271 -2.598 1.00 0.00 O ATOM 121 CB PRO A 8 0.981 -7.087 -5.720 1.00 0.00 C ATOM 122 CG PRO A 8 1.188 -8.473 -5.199 1.00 0.00 C ATOM 123 CD PRO A 8 2.500 -8.466 -4.462 1.00 0.00 C ATOM 0 HA PRO A 8 2.087 -5.287 -5.140 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.080 -6.856 -5.819 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.428 -6.964 -6.707 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.373 -8.763 -4.536 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.207 -9.195 -6.016 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.481 -9.137 -3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.321 -8.791 -5.101 1.00 0.00 H new ATOM 131 N PRO A 9 -0.025 -4.612 -3.988 1.00 0.00 N ATOM 132 CA PRO A 9 -1.035 -4.025 -3.075 1.00 0.00 C ATOM 133 C PRO A 9 -2.277 -4.917 -3.003 1.00 0.00 C ATOM 134 O PRO A 9 -2.338 -5.965 -3.614 1.00 0.00 O ATOM 135 CB PRO A 9 -1.363 -2.679 -3.720 1.00 0.00 C ATOM 136 CG PRO A 9 -1.022 -2.848 -5.165 1.00 0.00 C ATOM 137 CD PRO A 9 0.096 -3.856 -5.239 1.00 0.00 C ATOM 0 HA PRO A 9 -0.678 -3.924 -2.050 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.415 -2.425 -3.590 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.783 -1.874 -3.269 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.889 -3.192 -5.728 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.714 -1.898 -5.602 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.008 -4.504 -6.109 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.068 -3.369 -5.319 1.00 0.00 H new ATOM 145 N TYR A 10 -3.266 -4.506 -2.258 1.00 0.00 N ATOM 146 CA TYR A 10 -4.506 -5.325 -2.142 1.00 0.00 C ATOM 147 C TYR A 10 -5.735 -4.447 -2.343 1.00 0.00 C ATOM 148 O TYR A 10 -6.255 -3.860 -1.415 1.00 0.00 O ATOM 149 CB TYR A 10 -4.469 -5.886 -0.719 1.00 0.00 C ATOM 150 CG TYR A 10 -5.673 -6.764 -0.491 1.00 0.00 C ATOM 151 CD1 TYR A 10 -5.736 -8.036 -1.076 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.729 -6.305 0.303 1.00 0.00 C ATOM 153 CE1 TYR A 10 -6.857 -8.848 -0.863 1.00 0.00 C ATOM 154 CE2 TYR A 10 -7.849 -7.116 0.515 1.00 0.00 C ATOM 155 CZ TYR A 10 -7.914 -8.387 -0.068 1.00 0.00 C ATOM 156 OH TYR A 10 -9.019 -9.186 0.143 1.00 0.00 O ATOM 0 H TYR A 10 -3.269 -3.637 -1.724 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.558 -6.115 -2.891 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.554 -6.459 -0.567 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.459 -5.071 0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.921 -8.390 -1.690 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.680 -5.324 0.753 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.906 -9.829 -1.312 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.664 -6.761 1.129 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.658 -8.715 0.718 1.00 0.00 H new ATOM 166 N THR A 11 -6.214 -4.376 -3.550 1.00 0.00 N ATOM 167 CA THR A 11 -7.424 -3.562 -3.820 1.00 0.00 C ATOM 168 C THR A 11 -8.604 -4.190 -3.084 1.00 0.00 C ATOM 169 O THR A 11 -9.589 -3.540 -2.791 1.00 0.00 O ATOM 170 CB THR A 11 -7.616 -3.629 -5.341 1.00 0.00 C ATOM 171 OG1 THR A 11 -6.813 -2.634 -5.960 1.00 0.00 O ATOM 172 CG2 THR A 11 -9.086 -3.389 -5.696 1.00 0.00 C ATOM 0 H THR A 11 -5.818 -4.848 -4.363 1.00 0.00 H new ATOM 0 HA THR A 11 -7.339 -2.529 -3.484 1.00 0.00 H new ATOM 0 HB THR A 11 -7.320 -4.616 -5.696 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.662 -1.897 -5.331 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.212 -3.439 -6.778 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.704 -4.153 -5.223 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.390 -2.405 -5.340 1.00 0.00 H new ATOM 180 N GLY A 12 -8.505 -5.456 -2.787 1.00 0.00 N ATOM 181 CA GLY A 12 -9.619 -6.142 -2.072 1.00 0.00 C ATOM 182 C GLY A 12 -10.894 -6.054 -2.915 1.00 0.00 C ATOM 183 O GLY A 12 -10.904 -5.437 -3.962 1.00 0.00 O ATOM 0 H GLY A 12 -7.702 -6.045 -3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.361 -7.185 -1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.781 -5.679 -1.098 1.00 0.00 H new ATOM 187 N PRO A 13 -11.931 -6.682 -2.429 1.00 0.00 N ATOM 188 CA PRO A 13 -13.226 -6.679 -3.146 1.00 0.00 C ATOM 189 C PRO A 13 -13.975 -5.364 -2.890 1.00 0.00 C ATOM 190 O PRO A 13 -13.762 -4.379 -3.569 1.00 0.00 O ATOM 191 CB PRO A 13 -13.971 -7.862 -2.536 1.00 0.00 C ATOM 192 CG PRO A 13 -13.379 -8.045 -1.171 1.00 0.00 C ATOM 193 CD PRO A 13 -11.992 -7.446 -1.181 1.00 0.00 C ATOM 0 HA PRO A 13 -13.121 -6.760 -4.228 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -15.041 -7.664 -2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.846 -8.759 -3.142 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.999 -7.558 -0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -13.336 -9.103 -0.913 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.831 -6.804 -0.315 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.225 -8.220 -1.152 1.00 0.00 H new ATOM 201 N CYS A 14 -14.843 -5.339 -1.913 1.00 0.00 N ATOM 202 CA CYS A 14 -15.597 -4.087 -1.613 1.00 0.00 C ATOM 203 C CYS A 14 -16.072 -3.420 -2.907 1.00 0.00 C ATOM 204 O CYS A 14 -16.022 -4.002 -3.974 1.00 0.00 O ATOM 205 CB CYS A 14 -14.594 -3.194 -0.885 1.00 0.00 C ATOM 206 SG CYS A 14 -14.735 -3.461 0.899 1.00 0.00 S ATOM 0 H CYS A 14 -15.062 -6.132 -1.310 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.489 -4.277 -1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.581 -3.419 -1.219 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.783 -2.147 -1.123 1.00 0.00 H new ATOM 211 N LYS A 15 -16.535 -2.201 -2.822 1.00 0.00 N ATOM 212 CA LYS A 15 -17.013 -1.496 -4.045 1.00 0.00 C ATOM 213 C LYS A 15 -16.550 -0.037 -4.025 1.00 0.00 C ATOM 214 O LYS A 15 -17.015 0.783 -4.793 1.00 0.00 O ATOM 215 CB LYS A 15 -18.538 -1.576 -3.982 1.00 0.00 C ATOM 216 CG LYS A 15 -19.029 -2.672 -4.931 1.00 0.00 C ATOM 217 CD LYS A 15 -20.548 -2.573 -5.090 1.00 0.00 C ATOM 218 CE LYS A 15 -20.937 -2.923 -6.530 1.00 0.00 C ATOM 219 NZ LYS A 15 -20.143 -4.139 -6.858 1.00 0.00 N ATOM 0 H LYS A 15 -16.602 -1.664 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.622 -1.943 -4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.860 -1.791 -2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.975 -0.617 -4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.544 -2.570 -5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.757 -3.653 -4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -21.042 -3.251 -4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -20.885 -1.565 -4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -22.007 -3.115 -6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.705 -2.105 -7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -20.666 -4.721 -7.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.230 -3.857 -7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.978 -4.690 -5.991 1.00 0.00 H new ATOM 233 N ALA A 16 -15.639 0.294 -3.153 1.00 0.00 N ATOM 234 CA ALA A 16 -15.146 1.701 -3.085 1.00 0.00 C ATOM 235 C ALA A 16 -13.765 1.803 -3.738 1.00 0.00 C ATOM 236 O ALA A 16 -13.100 0.812 -3.964 1.00 0.00 O ATOM 237 CB ALA A 16 -15.061 2.019 -1.592 1.00 0.00 C ATOM 0 H ALA A 16 -15.214 -0.348 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.800 2.397 -3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.705 3.040 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.048 1.917 -1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.369 1.327 -1.111 1.00 0.00 H new ATOM 243 N ARG A 17 -13.326 2.994 -4.045 1.00 0.00 N ATOM 244 CA ARG A 17 -11.987 3.150 -4.684 1.00 0.00 C ATOM 245 C ARG A 17 -11.152 4.184 -3.926 1.00 0.00 C ATOM 246 O ARG A 17 -10.907 5.273 -4.406 1.00 0.00 O ATOM 247 CB ARG A 17 -12.278 3.628 -6.107 1.00 0.00 C ATOM 248 CG ARG A 17 -13.084 2.561 -6.852 1.00 0.00 C ATOM 249 CD ARG A 17 -14.278 3.212 -7.554 1.00 0.00 C ATOM 250 NE ARG A 17 -14.876 2.125 -8.380 1.00 0.00 N ATOM 251 CZ ARG A 17 -14.931 2.248 -9.679 1.00 0.00 C ATOM 252 NH1 ARG A 17 -15.851 2.994 -10.226 1.00 0.00 N ATOM 253 NH2 ARG A 17 -14.067 1.622 -10.431 1.00 0.00 N ATOM 0 H ARG A 17 -13.834 3.863 -3.882 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.417 2.221 -4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.834 4.565 -6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.344 3.826 -6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.451 2.057 -7.582 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.431 1.800 -6.153 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.997 3.601 -6.833 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.963 4.051 -8.174 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.242 1.286 -7.931 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.528 3.482 -9.639 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.893 3.090 -11.241 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.349 1.037 -10.004 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.110 1.718 -11.446 1.00 0.00 H new ATOM 267 N ILE A 18 -10.706 3.845 -2.746 1.00 0.00 N ATOM 268 CA ILE A 18 -9.879 4.801 -1.956 1.00 0.00 C ATOM 269 C ILE A 18 -8.445 4.815 -2.496 1.00 0.00 C ATOM 270 O ILE A 18 -7.972 3.843 -3.050 1.00 0.00 O ATOM 271 CB ILE A 18 -9.923 4.264 -0.526 1.00 0.00 C ATOM 272 CG1 ILE A 18 -11.382 4.135 -0.081 1.00 0.00 C ATOM 273 CG2 ILE A 18 -9.193 5.227 0.411 1.00 0.00 C ATOM 274 CD1 ILE A 18 -11.449 3.393 1.255 1.00 0.00 C ATOM 0 H ILE A 18 -10.879 2.947 -2.295 1.00 0.00 H new ATOM 0 HA ILE A 18 -10.246 5.826 -2.012 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.437 3.289 -0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.831 5.123 0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.956 3.598 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.227 4.840 1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.155 5.325 0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.676 6.203 0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.489 3.303 1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.017 2.399 1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.889 3.948 2.008 1.00 0.00 H new ATOM 286 N ILE A 19 -7.752 5.912 -2.351 1.00 0.00 N ATOM 287 CA ILE A 19 -6.356 5.987 -2.871 1.00 0.00 C ATOM 288 C ILE A 19 -5.348 5.689 -1.758 1.00 0.00 C ATOM 289 O ILE A 19 -4.882 6.578 -1.073 1.00 0.00 O ATOM 290 CB ILE A 19 -6.203 7.424 -3.368 1.00 0.00 C ATOM 291 CG1 ILE A 19 -7.164 7.657 -4.536 1.00 0.00 C ATOM 292 CG2 ILE A 19 -4.766 7.654 -3.839 1.00 0.00 C ATOM 293 CD1 ILE A 19 -6.683 6.869 -5.756 1.00 0.00 C ATOM 0 H ILE A 19 -8.092 6.759 -1.895 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.170 5.257 -3.659 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.433 8.116 -2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.171 7.343 -4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.215 8.720 -4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.659 8.679 -4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.080 7.483 -3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.534 6.964 -4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.367 7.034 -6.589 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.684 7.204 -6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.655 5.806 -5.515 1.00 0.00 H new ATOM 305 N ARG A 20 -5.005 4.443 -1.579 1.00 0.00 N ATOM 306 CA ARG A 20 -4.022 4.084 -0.517 1.00 0.00 C ATOM 307 C ARG A 20 -2.598 4.115 -1.078 1.00 0.00 C ATOM 308 O ARG A 20 -2.389 4.277 -2.264 1.00 0.00 O ATOM 309 CB ARG A 20 -4.393 2.665 -0.090 1.00 0.00 C ATOM 310 CG ARG A 20 -5.556 2.720 0.903 1.00 0.00 C ATOM 311 CD ARG A 20 -5.136 3.527 2.134 1.00 0.00 C ATOM 312 NE ARG A 20 -6.125 4.638 2.220 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.549 5.047 3.385 1.00 0.00 C ATOM 314 NH1 ARG A 20 -6.819 4.180 4.323 1.00 0.00 N ATOM 315 NH2 ARG A 20 -6.701 6.322 3.612 1.00 0.00 N ATOM 0 H ARG A 20 -5.363 3.657 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.051 4.783 0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.672 2.073 -0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.533 2.175 0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.427 3.178 0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.845 1.711 1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.153 2.912 3.034 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.121 3.909 2.028 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.471 5.079 1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.699 3.183 4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.150 4.500 5.233 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.489 6.999 2.879 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.032 6.642 4.522 1.00 0.00 H new ATOM 329 N TYR A 21 -1.618 3.960 -0.234 1.00 0.00 N ATOM 330 CA TYR A 21 -0.208 3.983 -0.711 1.00 0.00 C ATOM 331 C TYR A 21 0.451 2.615 -0.518 1.00 0.00 C ATOM 332 O TYR A 21 0.200 1.927 0.453 1.00 0.00 O ATOM 333 CB TYR A 21 0.486 5.020 0.175 1.00 0.00 C ATOM 334 CG TYR A 21 0.437 6.379 -0.479 1.00 0.00 C ATOM 335 CD1 TYR A 21 1.371 6.717 -1.465 1.00 0.00 C ATOM 336 CD2 TYR A 21 -0.536 7.307 -0.088 1.00 0.00 C ATOM 337 CE1 TYR A 21 1.332 7.983 -2.061 1.00 0.00 C ATOM 338 CE2 TYR A 21 -0.573 8.573 -0.683 1.00 0.00 C ATOM 339 CZ TYR A 21 0.360 8.911 -1.669 1.00 0.00 C ATOM 340 OH TYR A 21 0.324 10.159 -2.254 1.00 0.00 O ATOM 0 H TYR A 21 -1.733 3.818 0.769 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.143 4.223 -1.772 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.000 5.060 1.150 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.522 4.728 0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.122 6.001 -1.766 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.257 7.046 0.672 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.052 8.244 -2.823 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.322 9.290 -0.381 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.412 10.680 -1.869 1.00 0.00 H new ATOM 350 N PHE A 22 1.310 2.230 -1.422 1.00 0.00 N ATOM 351 CA PHE A 22 2.009 0.920 -1.283 1.00 0.00 C ATOM 352 C PHE A 22 3.439 1.040 -1.818 1.00 0.00 C ATOM 353 O PHE A 22 3.733 1.872 -2.653 1.00 0.00 O ATOM 354 CB PHE A 22 1.186 -0.081 -2.099 1.00 0.00 C ATOM 355 CG PHE A 22 1.551 0.000 -3.563 1.00 0.00 C ATOM 356 CD1 PHE A 22 0.927 0.941 -4.392 1.00 0.00 C ATOM 357 CD2 PHE A 22 2.513 -0.869 -4.090 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.269 1.014 -5.748 1.00 0.00 C ATOM 359 CE2 PHE A 22 2.854 -0.795 -5.447 1.00 0.00 C ATOM 360 CZ PHE A 22 2.232 0.145 -6.275 1.00 0.00 C ATOM 0 H PHE A 22 1.559 2.767 -2.253 1.00 0.00 H new ATOM 0 HA PHE A 22 2.086 0.597 -0.245 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.362 -1.091 -1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.123 0.124 -1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.183 1.610 -3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.992 -1.596 -3.451 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.790 1.741 -6.387 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.598 -1.464 -5.854 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.495 0.201 -7.321 1.00 0.00 H new ATOM 370 N TYR A 23 4.327 0.221 -1.336 1.00 0.00 N ATOM 371 CA TYR A 23 5.748 0.298 -1.802 1.00 0.00 C ATOM 372 C TYR A 23 5.934 -0.468 -3.117 1.00 0.00 C ATOM 373 O TYR A 23 5.838 -1.678 -3.159 1.00 0.00 O ATOM 374 CB TYR A 23 6.576 -0.352 -0.688 1.00 0.00 C ATOM 375 CG TYR A 23 8.043 -0.245 -1.033 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.665 1.010 -1.061 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.778 -1.397 -1.337 1.00 0.00 C ATOM 378 CE1 TYR A 23 10.022 1.111 -1.391 1.00 0.00 C ATOM 379 CE2 TYR A 23 10.134 -1.294 -1.668 1.00 0.00 C ATOM 380 CZ TYR A 23 10.756 -0.040 -1.695 1.00 0.00 C ATOM 381 OH TYR A 23 12.093 0.062 -2.021 1.00 0.00 O ATOM 0 H TYR A 23 4.137 -0.500 -0.640 1.00 0.00 H new ATOM 0 HA TYR A 23 6.051 1.327 -1.992 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.377 0.140 0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.293 -1.398 -0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.098 1.899 -0.828 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.299 -2.365 -1.316 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.502 2.078 -1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.701 -2.183 -1.903 1.00 0.00 H new ATOM 0 HH TYR A 23 12.256 0.919 -2.467 1.00 0.00 H new ATOM 391 N ASN A 24 6.216 0.224 -4.190 1.00 0.00 N ATOM 392 CA ASN A 24 6.419 -0.473 -5.492 1.00 0.00 C ATOM 393 C ASN A 24 7.864 -0.958 -5.605 1.00 0.00 C ATOM 394 O ASN A 24 8.711 -0.284 -6.154 1.00 0.00 O ATOM 395 CB ASN A 24 6.132 0.583 -6.561 1.00 0.00 C ATOM 396 CG ASN A 24 6.125 -0.076 -7.943 1.00 0.00 C ATOM 397 OD1 ASN A 24 6.368 -1.260 -8.066 1.00 0.00 O ATOM 398 ND2 ASN A 24 5.854 0.646 -8.996 1.00 0.00 N ATOM 0 H ASN A 24 6.314 1.239 -4.220 1.00 0.00 H new ATOM 0 HA ASN A 24 5.774 -1.345 -5.596 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.170 1.058 -6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.888 1.367 -6.524 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.846 0.216 -9.921 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.650 1.640 -8.894 1.00 0.00 H new ATOM 405 N ALA A 25 8.158 -2.120 -5.090 1.00 0.00 N ATOM 406 CA ALA A 25 9.553 -2.631 -5.178 1.00 0.00 C ATOM 407 C ALA A 25 10.084 -2.442 -6.601 1.00 0.00 C ATOM 408 O ALA A 25 11.273 -2.334 -6.823 1.00 0.00 O ATOM 409 CB ALA A 25 9.461 -4.115 -4.825 1.00 0.00 C ATOM 0 H ALA A 25 7.496 -2.734 -4.615 1.00 0.00 H new ATOM 0 HA ALA A 25 10.233 -2.104 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.454 -4.562 -4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.058 -4.225 -3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.805 -4.618 -5.536 1.00 0.00 H new ATOM 415 N LYS A 26 9.206 -2.389 -7.565 1.00 0.00 N ATOM 416 CA LYS A 26 9.657 -2.193 -8.970 1.00 0.00 C ATOM 417 C LYS A 26 10.047 -0.729 -9.183 1.00 0.00 C ATOM 418 O LYS A 26 10.853 -0.407 -10.033 1.00 0.00 O ATOM 419 CB LYS A 26 8.449 -2.558 -9.834 1.00 0.00 C ATOM 420 CG LYS A 26 8.683 -3.919 -10.495 1.00 0.00 C ATOM 421 CD LYS A 26 7.915 -4.999 -9.731 1.00 0.00 C ATOM 422 CE LYS A 26 8.905 -5.996 -9.127 1.00 0.00 C ATOM 423 NZ LYS A 26 8.058 -7.038 -8.482 1.00 0.00 N ATOM 0 H LYS A 26 8.197 -2.473 -7.440 1.00 0.00 H new ATOM 0 HA LYS A 26 10.526 -2.802 -9.219 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.548 -2.590 -9.222 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.290 -1.795 -10.596 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.355 -3.891 -11.534 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.748 -4.152 -10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.314 -4.545 -8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.227 -5.514 -10.401 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.547 -6.429 -9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.558 -5.513 -8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.667 -7.759 -8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.463 -6.598 -7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.452 -7.486 -9.199 1.00 0.00 H new ATOM 437 N ALA A 27 9.480 0.159 -8.411 1.00 0.00 N ATOM 438 CA ALA A 27 9.818 1.603 -8.563 1.00 0.00 C ATOM 439 C ALA A 27 10.935 1.989 -7.589 1.00 0.00 C ATOM 440 O ALA A 27 11.676 2.924 -7.817 1.00 0.00 O ATOM 441 CB ALA A 27 8.528 2.346 -8.220 1.00 0.00 C ATOM 0 H ALA A 27 8.798 -0.053 -7.683 1.00 0.00 H new ATOM 0 HA ALA A 27 10.174 1.843 -9.565 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.692 3.420 -8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.739 2.042 -8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.231 2.107 -7.199 1.00 0.00 H new ATOM 447 N GLY A 28 11.060 1.275 -6.505 1.00 0.00 N ATOM 448 CA GLY A 28 12.125 1.602 -5.515 1.00 0.00 C ATOM 449 C GLY A 28 11.569 2.566 -4.464 1.00 0.00 C ATOM 450 O GLY A 28 12.238 2.915 -3.512 1.00 0.00 O ATOM 0 H GLY A 28 10.471 0.479 -6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.482 0.691 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.980 2.052 -6.020 1.00 0.00 H new ATOM 454 N LEU A 29 10.345 2.996 -4.624 1.00 0.00 N ATOM 455 CA LEU A 29 9.745 3.930 -3.636 1.00 0.00 C ATOM 456 C LEU A 29 8.300 3.518 -3.353 1.00 0.00 C ATOM 457 O LEU A 29 7.971 2.348 -3.341 1.00 0.00 O ATOM 458 CB LEU A 29 9.799 5.304 -4.306 1.00 0.00 C ATOM 459 CG LEU A 29 8.968 5.281 -5.589 1.00 0.00 C ATOM 460 CD1 LEU A 29 8.216 6.605 -5.732 1.00 0.00 C ATOM 461 CD2 LEU A 29 9.893 5.089 -6.794 1.00 0.00 C ATOM 0 H LEU A 29 9.736 2.738 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 29 10.271 3.930 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.417 6.066 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.832 5.568 -4.534 1.00 0.00 H new ATOM 0 HG LEU A 29 8.254 4.459 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.623 6.590 -6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.557 6.744 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.931 7.427 -5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.300 5.073 -7.709 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.607 5.911 -6.839 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.431 4.146 -6.693 1.00 0.00 H new ATOM 473 N CYS A 30 7.435 4.465 -3.127 1.00 0.00 N ATOM 474 CA CYS A 30 6.013 4.119 -2.837 1.00 0.00 C ATOM 475 C CYS A 30 5.076 4.720 -3.887 1.00 0.00 C ATOM 476 O CYS A 30 5.342 5.758 -4.459 1.00 0.00 O ATOM 477 CB CYS A 30 5.726 4.733 -1.466 1.00 0.00 C ATOM 478 SG CYS A 30 6.656 3.845 -0.194 1.00 0.00 S ATOM 0 H CYS A 30 7.648 5.462 -3.130 1.00 0.00 H new ATOM 0 HA CYS A 30 5.852 3.041 -2.854 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.003 5.787 -1.464 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.659 4.684 -1.251 1.00 0.00 H new ATOM 483 N GLN A 31 3.969 4.072 -4.128 1.00 0.00 N ATOM 484 CA GLN A 31 2.988 4.592 -5.123 1.00 0.00 C ATOM 485 C GLN A 31 1.566 4.372 -4.598 1.00 0.00 C ATOM 486 O GLN A 31 1.339 3.563 -3.720 1.00 0.00 O ATOM 487 CB GLN A 31 3.228 3.773 -6.391 1.00 0.00 C ATOM 488 CG GLN A 31 4.463 4.305 -7.120 1.00 0.00 C ATOM 489 CD GLN A 31 4.330 4.029 -8.619 1.00 0.00 C ATOM 490 OE1 GLN A 31 3.240 4.034 -9.155 1.00 0.00 O ATOM 491 NE2 GLN A 31 5.402 3.787 -9.323 1.00 0.00 N ATOM 0 H GLN A 31 3.700 3.198 -3.675 1.00 0.00 H new ATOM 0 HA GLN A 31 3.106 5.659 -5.310 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.368 2.722 -6.136 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.356 3.829 -7.043 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.569 5.376 -6.945 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.362 3.828 -6.730 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.317 3.783 -8.873 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.324 3.602 -10.323 1.00 0.00 H new ATOM 500 N THR A 32 0.609 5.087 -5.117 1.00 0.00 N ATOM 501 CA THR A 32 -0.791 4.913 -4.633 1.00 0.00 C ATOM 502 C THR A 32 -1.507 3.826 -5.437 1.00 0.00 C ATOM 503 O THR A 32 -1.263 3.647 -6.613 1.00 0.00 O ATOM 504 CB THR A 32 -1.456 6.271 -4.854 1.00 0.00 C ATOM 505 OG1 THR A 32 -0.828 6.931 -5.946 1.00 0.00 O ATOM 506 CG2 THR A 32 -1.312 7.122 -3.591 1.00 0.00 C ATOM 0 H THR A 32 0.733 5.782 -5.853 1.00 0.00 H new ATOM 0 HA THR A 32 -0.828 4.603 -3.589 1.00 0.00 H new ATOM 0 HB THR A 32 -2.514 6.127 -5.074 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.092 7.486 -5.613 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.786 8.091 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.792 6.615 -2.754 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.255 7.268 -3.369 1.00 0.00 H new ATOM 514 N PHE A 33 -2.393 3.102 -4.808 1.00 0.00 N ATOM 515 CA PHE A 33 -3.134 2.027 -5.532 1.00 0.00 C ATOM 516 C PHE A 33 -4.609 2.042 -5.126 1.00 0.00 C ATOM 517 O PHE A 33 -4.983 2.618 -4.124 1.00 0.00 O ATOM 518 CB PHE A 33 -2.463 0.716 -5.116 1.00 0.00 C ATOM 519 CG PHE A 33 -2.878 0.333 -3.712 1.00 0.00 C ATOM 520 CD1 PHE A 33 -2.261 0.931 -2.604 1.00 0.00 C ATOM 521 CD2 PHE A 33 -3.878 -0.628 -3.518 1.00 0.00 C ATOM 522 CE1 PHE A 33 -2.645 0.571 -1.308 1.00 0.00 C ATOM 523 CE2 PHE A 33 -4.261 -0.990 -2.219 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.645 -0.390 -1.115 1.00 0.00 C ATOM 0 H PHE A 33 -2.637 3.208 -3.823 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.103 2.161 -6.613 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.737 -0.077 -5.812 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.379 0.823 -5.165 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.488 1.671 -2.751 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.354 -1.091 -4.370 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.170 1.034 -0.456 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.032 -1.732 -2.070 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.941 -0.668 -0.114 1.00 0.00 H new ATOM 534 N VAL A 34 -5.452 1.423 -5.906 1.00 0.00 N ATOM 535 CA VAL A 34 -6.907 1.410 -5.576 1.00 0.00 C ATOM 536 C VAL A 34 -7.183 0.459 -4.410 1.00 0.00 C ATOM 537 O VAL A 34 -7.158 -0.745 -4.563 1.00 0.00 O ATOM 538 CB VAL A 34 -7.598 0.911 -6.844 1.00 0.00 C ATOM 539 CG1 VAL A 34 -9.099 0.768 -6.586 1.00 0.00 C ATOM 540 CG2 VAL A 34 -7.367 1.912 -7.978 1.00 0.00 C ATOM 0 H VAL A 34 -5.197 0.925 -6.759 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.266 2.394 -5.273 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.185 -0.058 -7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.591 0.412 -7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.263 0.054 -5.779 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.514 1.736 -6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.860 1.557 -8.883 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.779 2.881 -7.697 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.297 2.012 -8.163 1.00 0.00 H new ATOM 550 N TYR A 35 -7.450 0.991 -3.248 1.00 0.00 N ATOM 551 CA TYR A 35 -7.728 0.115 -2.071 1.00 0.00 C ATOM 552 C TYR A 35 -9.221 -0.222 -2.010 1.00 0.00 C ATOM 553 O TYR A 35 -10.059 0.555 -2.422 1.00 0.00 O ATOM 554 CB TYR A 35 -7.310 0.948 -0.859 1.00 0.00 C ATOM 555 CG TYR A 35 -7.643 0.208 0.413 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.459 -1.178 0.486 1.00 0.00 C ATOM 557 CD2 TYR A 35 -8.132 0.908 1.522 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.763 -1.862 1.667 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.438 0.224 2.704 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.253 -1.161 2.776 1.00 0.00 C ATOM 561 OH TYR A 35 -8.552 -1.837 3.942 1.00 0.00 O ATOM 0 H TYR A 35 -7.488 1.993 -3.062 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.192 -0.833 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.241 1.155 -0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.821 1.910 -0.875 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.082 -1.719 -0.370 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.273 1.977 1.466 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.620 -2.931 1.724 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.816 0.764 3.559 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.616 -1.199 4.683 1.00 0.00 H new ATOM 571 N GLY A 36 -9.562 -1.378 -1.508 1.00 0.00 N ATOM 572 CA GLY A 36 -10.999 -1.765 -1.433 1.00 0.00 C ATOM 573 C GLY A 36 -11.617 -1.239 -0.136 1.00 0.00 C ATOM 574 O GLY A 36 -12.791 -1.424 0.115 1.00 0.00 O ATOM 0 H GLY A 36 -8.907 -2.071 -1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.537 -1.363 -2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.094 -2.850 -1.477 1.00 0.00 H new ATOM 578 N ALA A 37 -10.835 -0.586 0.690 1.00 0.00 N ATOM 579 CA ALA A 37 -11.372 -0.040 1.980 1.00 0.00 C ATOM 580 C ALA A 37 -11.573 -1.164 3.006 1.00 0.00 C ATOM 581 O ALA A 37 -11.890 -0.916 4.153 1.00 0.00 O ATOM 582 CB ALA A 37 -12.713 0.612 1.631 1.00 0.00 C ATOM 0 H ALA A 37 -9.844 -0.406 0.527 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.681 0.674 2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.159 1.032 2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.553 1.406 0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.383 -0.137 1.210 1.00 0.00 H new ATOM 588 N CYS A 38 -11.388 -2.394 2.610 1.00 0.00 N ATOM 589 CA CYS A 38 -11.566 -3.522 3.571 1.00 0.00 C ATOM 590 C CYS A 38 -10.423 -4.528 3.411 1.00 0.00 C ATOM 591 O CYS A 38 -9.686 -4.495 2.446 1.00 0.00 O ATOM 592 CB CYS A 38 -12.906 -4.162 3.199 1.00 0.00 C ATOM 593 SG CYS A 38 -13.006 -4.374 1.403 1.00 0.00 S ATOM 0 H CYS A 38 -11.122 -2.667 1.664 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.556 -3.188 4.608 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.009 -5.127 3.695 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.728 -3.536 3.547 1.00 0.00 H new ATOM 598 N ARG A 39 -10.264 -5.418 4.351 1.00 0.00 N ATOM 599 CA ARG A 39 -9.164 -6.419 4.249 1.00 0.00 C ATOM 600 C ARG A 39 -7.861 -5.726 3.840 1.00 0.00 C ATOM 601 O ARG A 39 -7.212 -6.111 2.888 1.00 0.00 O ATOM 602 CB ARG A 39 -9.620 -7.396 3.163 1.00 0.00 C ATOM 603 CG ARG A 39 -10.497 -8.483 3.790 1.00 0.00 C ATOM 604 CD ARG A 39 -11.758 -8.677 2.944 1.00 0.00 C ATOM 605 NE ARG A 39 -12.250 -10.037 3.300 1.00 0.00 N ATOM 606 CZ ARG A 39 -13.450 -10.413 2.946 1.00 0.00 C ATOM 607 NH1 ARG A 39 -14.085 -9.768 2.005 1.00 0.00 N ATOM 608 NH2 ARG A 39 -14.015 -11.432 3.532 1.00 0.00 N ATOM 0 H ARG A 39 -10.847 -5.496 5.184 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.971 -6.925 5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.177 -6.865 2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.754 -7.847 2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.943 -9.419 3.855 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.769 -8.203 4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.505 -7.915 3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.535 -8.603 1.880 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.649 -10.676 3.821 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.644 -8.971 1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.022 -10.061 1.728 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.520 -11.936 4.268 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.952 -11.725 3.255 1.00 0.00 H new ATOM 622 N ALA A 40 -7.477 -4.702 4.552 1.00 0.00 N ATOM 623 CA ALA A 40 -6.218 -3.979 4.204 1.00 0.00 C ATOM 624 C ALA A 40 -4.993 -4.822 4.576 1.00 0.00 C ATOM 625 O ALA A 40 -5.058 -5.691 5.424 1.00 0.00 O ATOM 626 CB ALA A 40 -6.260 -2.696 5.035 1.00 0.00 C ATOM 0 H ALA A 40 -7.980 -4.334 5.360 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.143 -3.774 3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.366 -2.105 4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.144 -2.118 4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.300 -2.950 6.094 1.00 0.00 H new ATOM 632 N LYS A 41 -3.877 -4.573 3.943 1.00 0.00 N ATOM 633 CA LYS A 41 -2.644 -5.358 4.252 1.00 0.00 C ATOM 634 C LYS A 41 -1.534 -4.428 4.757 1.00 0.00 C ATOM 635 O LYS A 41 -1.788 -3.308 5.154 1.00 0.00 O ATOM 636 CB LYS A 41 -2.250 -5.998 2.922 1.00 0.00 C ATOM 637 CG LYS A 41 -3.458 -6.736 2.338 1.00 0.00 C ATOM 638 CD LYS A 41 -2.978 -7.895 1.462 1.00 0.00 C ATOM 639 CE LYS A 41 -2.714 -9.122 2.336 1.00 0.00 C ATOM 640 NZ LYS A 41 -2.706 -10.274 1.391 1.00 0.00 N ATOM 0 H LYS A 41 -3.765 -3.858 3.224 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.807 -6.101 5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.905 -5.234 2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.422 -6.692 3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.090 -7.112 3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.066 -6.050 1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.728 -8.128 0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.069 -7.611 0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.763 -9.035 2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.487 -9.240 3.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.530 -11.154 1.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.627 -10.336 0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.955 -10.138 0.684 1.00 0.00 H new ATOM 654 N ARG A 42 -0.304 -4.876 4.744 1.00 0.00 N ATOM 655 CA ARG A 42 0.807 -4.000 5.228 1.00 0.00 C ATOM 656 C ARG A 42 1.219 -3.022 4.126 1.00 0.00 C ATOM 657 O ARG A 42 1.720 -1.947 4.393 1.00 0.00 O ATOM 658 CB ARG A 42 1.966 -4.939 5.571 1.00 0.00 C ATOM 659 CG ARG A 42 1.455 -6.111 6.414 1.00 0.00 C ATOM 660 CD ARG A 42 2.554 -7.167 6.537 1.00 0.00 C ATOM 661 NE ARG A 42 2.197 -8.212 5.538 1.00 0.00 N ATOM 662 CZ ARG A 42 2.941 -9.279 5.409 1.00 0.00 C ATOM 663 NH1 ARG A 42 3.939 -9.486 6.226 1.00 0.00 N ATOM 664 NH2 ARG A 42 2.688 -10.139 4.461 1.00 0.00 N ATOM 0 H ARG A 42 -0.022 -5.802 4.422 1.00 0.00 H new ATOM 0 HA ARG A 42 0.508 -3.409 6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.427 -5.311 4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.737 -4.395 6.118 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.160 -5.760 7.403 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.568 -6.545 5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.536 -6.741 6.329 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.593 -7.581 7.545 1.00 0.00 H new ATOM 0 HE ARG A 42 1.370 -8.095 4.953 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.139 -8.814 6.967 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.518 -10.319 6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.910 -9.978 3.821 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.268 -10.972 4.360 1.00 0.00 H new ATOM 678 N ASN A 43 1.002 -3.379 2.888 1.00 0.00 N ATOM 679 CA ASN A 43 1.372 -2.454 1.778 1.00 0.00 C ATOM 680 C ASN A 43 0.160 -1.599 1.413 1.00 0.00 C ATOM 681 O ASN A 43 -0.258 -1.535 0.274 1.00 0.00 O ATOM 682 CB ASN A 43 1.775 -3.355 0.610 1.00 0.00 C ATOM 683 CG ASN A 43 2.852 -2.655 -0.222 1.00 0.00 C ATOM 684 OD1 ASN A 43 3.231 -1.537 0.070 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.370 -3.269 -1.251 1.00 0.00 N ATOM 0 H ASN A 43 0.587 -4.265 2.599 1.00 0.00 H new ATOM 0 HA ASN A 43 2.183 -1.777 2.047 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.150 -4.308 0.984 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.906 -3.576 -0.010 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.091 -2.811 -1.808 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.054 -4.207 -1.498 1.00 0.00 H new ATOM 692 N ASN A 44 -0.403 -0.943 2.387 1.00 0.00 N ATOM 693 CA ASN A 44 -1.593 -0.081 2.143 1.00 0.00 C ATOM 694 C ASN A 44 -1.536 1.116 3.094 1.00 0.00 C ATOM 695 O ASN A 44 -2.245 1.178 4.079 1.00 0.00 O ATOM 696 CB ASN A 44 -2.790 -0.982 2.463 1.00 0.00 C ATOM 697 CG ASN A 44 -4.097 -0.202 2.310 1.00 0.00 C ATOM 698 OD1 ASN A 44 -4.092 1.011 2.239 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.227 -0.857 2.255 1.00 0.00 N ATOM 0 H ASN A 44 -0.085 -0.967 3.356 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.649 0.312 1.128 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.793 -1.845 1.797 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.704 -1.365 3.480 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.106 -0.350 2.152 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.230 -1.875 2.315 1.00 0.00 H new ATOM 706 N PHE A 45 -0.671 2.054 2.818 1.00 0.00 N ATOM 707 CA PHE A 45 -0.531 3.239 3.718 1.00 0.00 C ATOM 708 C PHE A 45 -1.423 4.387 3.239 1.00 0.00 C ATOM 709 O PHE A 45 -1.896 4.398 2.122 1.00 0.00 O ATOM 710 CB PHE A 45 0.952 3.624 3.631 1.00 0.00 C ATOM 711 CG PHE A 45 1.808 2.374 3.658 1.00 0.00 C ATOM 712 CD1 PHE A 45 2.163 1.788 4.880 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.243 1.798 2.457 1.00 0.00 C ATOM 714 CE1 PHE A 45 2.953 0.628 4.900 1.00 0.00 C ATOM 715 CE2 PHE A 45 3.031 0.638 2.477 1.00 0.00 C ATOM 716 CZ PHE A 45 3.386 0.054 3.697 1.00 0.00 C ATOM 0 H PHE A 45 -0.053 2.052 2.007 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.836 3.020 4.741 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.139 4.184 2.715 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.218 4.276 4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.829 2.229 5.807 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.971 2.248 1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.227 0.178 5.843 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.364 0.196 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.993 -0.839 3.712 1.00 0.00 H new ATOM 726 N LYS A 46 -1.663 5.353 4.082 1.00 0.00 N ATOM 727 CA LYS A 46 -2.530 6.497 3.679 1.00 0.00 C ATOM 728 C LYS A 46 -1.677 7.620 3.090 1.00 0.00 C ATOM 729 O LYS A 46 -2.177 8.528 2.456 1.00 0.00 O ATOM 730 CB LYS A 46 -3.205 6.958 4.971 1.00 0.00 C ATOM 731 CG LYS A 46 -3.861 5.760 5.659 1.00 0.00 C ATOM 732 CD LYS A 46 -3.758 5.923 7.176 1.00 0.00 C ATOM 733 CE LYS A 46 -5.112 5.609 7.818 1.00 0.00 C ATOM 734 NZ LYS A 46 -4.783 5.143 9.194 1.00 0.00 N ATOM 0 H LYS A 46 -1.296 5.400 5.033 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.258 6.216 2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.471 7.415 5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.953 7.719 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.907 5.684 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.373 4.836 5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.992 5.256 7.573 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.454 6.940 7.423 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.752 6.491 7.842 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.647 4.842 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.661 4.908 9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.178 4.299 9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.280 5.897 9.705 1.00 0.00 H new ATOM 748 N SER A 47 -0.391 7.560 3.293 1.00 0.00 N ATOM 749 CA SER A 47 0.499 8.623 2.743 1.00 0.00 C ATOM 750 C SER A 47 1.846 8.026 2.337 1.00 0.00 C ATOM 751 O SER A 47 2.223 6.960 2.779 1.00 0.00 O ATOM 752 CB SER A 47 0.680 9.622 3.884 1.00 0.00 C ATOM 753 OG SER A 47 1.474 9.032 4.905 1.00 0.00 O ATOM 0 H SER A 47 0.083 6.823 3.815 1.00 0.00 H new ATOM 0 HA SER A 47 0.078 9.093 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.158 10.530 3.515 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.291 9.913 4.285 1.00 0.00 H new ATOM 0 HG SER A 47 0.893 8.575 5.548 1.00 0.00 H new ATOM 759 N ALA A 48 2.574 8.710 1.501 1.00 0.00 N ATOM 760 CA ALA A 48 3.900 8.186 1.067 1.00 0.00 C ATOM 761 C ALA A 48 4.878 8.211 2.243 1.00 0.00 C ATOM 762 O ALA A 48 5.855 7.490 2.268 1.00 0.00 O ATOM 763 CB ALA A 48 4.361 9.139 -0.037 1.00 0.00 C ATOM 0 H ALA A 48 2.309 9.609 1.099 1.00 0.00 H new ATOM 0 HA ALA A 48 3.847 7.156 0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.334 8.820 -0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.638 9.128 -0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.440 10.149 0.364 1.00 0.00 H new ATOM 769 N GLU A 49 4.619 9.037 3.219 1.00 0.00 N ATOM 770 CA GLU A 49 5.531 9.111 4.397 1.00 0.00 C ATOM 771 C GLU A 49 5.332 7.887 5.294 1.00 0.00 C ATOM 772 O GLU A 49 6.227 7.472 6.003 1.00 0.00 O ATOM 773 CB GLU A 49 5.126 10.390 5.129 1.00 0.00 C ATOM 774 CG GLU A 49 5.166 11.568 4.155 1.00 0.00 C ATOM 775 CD GLU A 49 4.077 12.577 4.524 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.023 12.148 4.966 1.00 0.00 O ATOM 777 OE2 GLU A 49 4.316 13.762 4.360 1.00 0.00 O ATOM 0 H GLU A 49 3.815 9.664 3.252 1.00 0.00 H new ATOM 0 HA GLU A 49 6.582 9.124 4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.124 10.282 5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.801 10.573 5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.145 12.046 4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.017 11.214 3.135 1.00 0.00 H new ATOM 784 N ASP A 50 4.167 7.302 5.260 1.00 0.00 N ATOM 785 CA ASP A 50 3.911 6.098 6.102 1.00 0.00 C ATOM 786 C ASP A 50 4.441 4.857 5.386 1.00 0.00 C ATOM 787 O ASP A 50 4.866 3.900 6.002 1.00 0.00 O ATOM 788 CB ASP A 50 2.390 6.024 6.246 1.00 0.00 C ATOM 789 CG ASP A 50 1.912 7.105 7.218 1.00 0.00 C ATOM 790 OD1 ASP A 50 2.625 7.375 8.171 1.00 0.00 O ATOM 791 OD2 ASP A 50 0.839 7.641 6.996 1.00 0.00 O ATOM 0 H ASP A 50 3.380 7.605 4.686 1.00 0.00 H new ATOM 0 HA ASP A 50 4.403 6.153 7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.916 6.160 5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.097 5.039 6.609 1.00 0.00 H new ATOM 796 N CYS A 51 4.424 4.873 4.082 1.00 0.00 N ATOM 797 CA CYS A 51 4.931 3.706 3.310 1.00 0.00 C ATOM 798 C CYS A 51 6.458 3.674 3.368 1.00 0.00 C ATOM 799 O CYS A 51 7.062 2.639 3.563 1.00 0.00 O ATOM 800 CB CYS A 51 4.451 3.936 1.877 1.00 0.00 C ATOM 801 SG CYS A 51 5.258 2.751 0.772 1.00 0.00 S ATOM 0 H CYS A 51 4.079 5.648 3.516 1.00 0.00 H new ATOM 0 HA CYS A 51 4.573 2.756 3.706 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.368 3.822 1.822 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.680 4.955 1.565 1.00 0.00 H new ATOM 806 N MET A 52 7.084 4.807 3.196 1.00 0.00 N ATOM 807 CA MET A 52 8.575 4.848 3.237 1.00 0.00 C ATOM 808 C MET A 52 9.079 4.513 4.645 1.00 0.00 C ATOM 809 O MET A 52 9.850 3.593 4.835 1.00 0.00 O ATOM 810 CB MET A 52 8.941 6.284 2.863 1.00 0.00 C ATOM 811 CG MET A 52 10.331 6.305 2.224 1.00 0.00 C ATOM 812 SD MET A 52 10.171 6.610 0.446 1.00 0.00 S ATOM 813 CE MET A 52 11.869 6.184 -0.013 1.00 0.00 C ATOM 0 H MET A 52 6.629 5.704 3.029 1.00 0.00 H new ATOM 0 HA MET A 52 9.026 4.122 2.560 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.204 6.690 2.170 1.00 0.00 H new ATOM 0 HB3 MET A 52 8.927 6.917 3.750 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.943 7.081 2.684 1.00 0.00 H new ATOM 0 HG3 MET A 52 10.837 5.355 2.397 1.00 0.00 H new ATOM 0 HE1 MET A 52 11.996 6.304 -1.089 1.00 0.00 H new ATOM 0 HE2 MET A 52 12.563 6.842 0.510 1.00 0.00 H new ATOM 0 HE3 MET A 52 12.072 5.149 0.263 1.00 0.00 H new ATOM 823 N ARG A 53 8.653 5.251 5.634 1.00 0.00 N ATOM 824 CA ARG A 53 9.116 4.969 7.024 1.00 0.00 C ATOM 825 C ARG A 53 8.915 3.488 7.359 1.00 0.00 C ATOM 826 O ARG A 53 9.548 2.951 8.246 1.00 0.00 O ATOM 827 CB ARG A 53 8.245 5.851 7.922 1.00 0.00 C ATOM 828 CG ARG A 53 6.840 5.253 8.024 1.00 0.00 C ATOM 829 CD ARG A 53 6.642 4.645 9.415 1.00 0.00 C ATOM 830 NE ARG A 53 5.796 5.629 10.146 1.00 0.00 N ATOM 831 CZ ARG A 53 6.355 6.557 10.874 1.00 0.00 C ATOM 832 NH1 ARG A 53 6.727 7.680 10.325 1.00 0.00 N ATOM 833 NH2 ARG A 53 6.542 6.361 12.150 1.00 0.00 N ATOM 0 H ARG A 53 8.007 6.035 5.541 1.00 0.00 H new ATOM 0 HA ARG A 53 10.177 5.181 7.157 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.690 5.929 8.914 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.192 6.861 7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.091 6.024 7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.702 4.489 7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.154 3.672 9.355 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.596 4.493 9.919 1.00 0.00 H new ATOM 0 HE ARG A 53 4.780 5.578 10.078 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.581 7.833 9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.164 8.405 10.894 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.251 5.482 12.579 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.979 7.086 12.719 1.00 0.00 H new ATOM 847 N THR A 54 8.041 2.824 6.653 1.00 0.00 N ATOM 848 CA THR A 54 7.802 1.377 6.930 1.00 0.00 C ATOM 849 C THR A 54 8.533 0.516 5.894 1.00 0.00 C ATOM 850 O THR A 54 9.093 -0.515 6.212 1.00 0.00 O ATOM 851 CB THR A 54 6.284 1.200 6.812 1.00 0.00 C ATOM 852 OG1 THR A 54 5.665 1.641 8.011 1.00 0.00 O ATOM 853 CG2 THR A 54 5.951 -0.273 6.577 1.00 0.00 C ATOM 0 H THR A 54 7.482 3.219 5.897 1.00 0.00 H new ATOM 0 HA THR A 54 8.171 1.072 7.909 1.00 0.00 H new ATOM 0 HB THR A 54 5.916 1.788 5.972 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.184 2.478 7.842 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.871 -0.393 6.494 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.426 -0.611 5.656 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.319 -0.867 7.414 1.00 0.00 H new ATOM 861 N CYS A 55 8.528 0.931 4.657 1.00 0.00 N ATOM 862 CA CYS A 55 9.220 0.139 3.601 1.00 0.00 C ATOM 863 C CYS A 55 10.626 0.695 3.362 1.00 0.00 C ATOM 864 O CYS A 55 11.590 -0.040 3.285 1.00 0.00 O ATOM 865 CB CYS A 55 8.358 0.309 2.351 1.00 0.00 C ATOM 866 SG CYS A 55 6.674 -0.257 2.696 1.00 0.00 S ATOM 0 H CYS A 55 8.074 1.785 4.332 1.00 0.00 H new ATOM 0 HA CYS A 55 9.335 -0.909 3.878 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.346 1.355 2.045 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.782 -0.260 1.524 1.00 0.00 H new ATOM 871 N GLY A 56 10.749 1.989 3.247 1.00 0.00 N ATOM 872 CA GLY A 56 12.092 2.592 3.016 1.00 0.00 C ATOM 873 C GLY A 56 13.049 2.135 4.117 1.00 0.00 C ATOM 874 O GLY A 56 12.972 2.580 5.245 1.00 0.00 O ATOM 0 H GLY A 56 9.978 2.654 3.303 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.474 2.294 2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.019 3.680 3.011 1.00 0.00 H new ATOM 878 N GLY A 57 13.951 1.247 3.800 1.00 0.00 N ATOM 879 CA GLY A 57 14.912 0.759 4.830 1.00 0.00 C ATOM 880 C GLY A 57 15.591 -0.515 4.327 1.00 0.00 C ATOM 881 O GLY A 57 15.427 -1.580 4.888 1.00 0.00 O ATOM 0 H GLY A 57 14.064 0.838 2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.659 1.525 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.390 0.561 5.766 1.00 0.00 H new ATOM 885 N ALA A 58 16.352 -0.414 3.273 1.00 0.00 N ATOM 886 CA ALA A 58 17.042 -1.619 2.731 1.00 0.00 C ATOM 887 C ALA A 58 18.559 -1.419 2.768 1.00 0.00 C ATOM 888 O ALA A 58 19.123 -1.509 3.847 1.00 0.00 O ATOM 889 CB ALA A 58 16.551 -1.740 1.288 1.00 0.00 C ATOM 890 OXT ALA A 58 19.131 -1.177 1.718 1.00 0.00 O ATOM 0 H ALA A 58 16.526 0.452 2.763 1.00 0.00 H new ATOM 0 HA ALA A 58 16.826 -2.516 3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.015 -2.607 0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.468 -1.860 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.820 -0.840 0.735 1.00 0.00 H new TER 896 ALA A 58