USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 389 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 37 TYR OH : rot 151:sc= 0.762 USER MOD Set 1.2: A 41 LYS NZ :NH3+ -159:sc= 0.913 (180deg=0) USER MOD Set 2.1: A 27 GLN : amide:sc= -0.86 K(o=-1.4,f=-0.23) USER MOD Set 2.2: A 30 GLN : amide:sc= -0.57 K(o=-1.4,f=-0.23) USER MOD Single : A 1 ARG N :NH3+ -115:sc= 0.198 (180deg=-0.00251) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -36:sc= -0.369! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0202) USER MOD Single : A 11 GLN : amide:sc= -1.47! K(o=-1.5!,f=-0.21) USER MOD Single : A 14 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.15) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.202 K(o=-0.2,f=-2!) USER MOD Single : A 22 GLN : amide:sc= -0.581 X(o=-0.58,f=-0.5) USER MOD Single : A 24 GLN : amide:sc= 0.282 K(o=0.28,f=-3.1!) USER MOD Single : A 31 GLN : amide:sc= -0.0936 X(o=-0.094,f=-0.11) USER MOD Single : A 34 GLN : amide:sc= -0.96 K(o=-0.96,f=-5.3!) USER MOD Single : A 35 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.2) USER MOD Single : A 38 GLN : amide:sc= -0.546 K(o=-0.55,f=0) USER MOD Single : A 43 GLN : amide:sc= -1.69! C(o=-1.7!,f=-6.2!) USER MOD Single : A 44 HIS : no HE2:sc= -0.384 K(o=-0.38,f=-8.4!) USER MOD Single : A 45 GLN : amide:sc= 1.2 K(o=1.2,f=-0.014) USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00703 USER MOD Single : A 49 ASN : amide:sc= -0.0468 X(o=-0.047,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.631 2.418 -13.051 1.00 0.00 N ATOM 2 CA ARG A 1 11.282 1.889 -13.223 1.00 0.00 C ATOM 3 C ARG A 1 10.304 2.815 -12.528 1.00 0.00 C ATOM 4 O ARG A 1 10.726 3.769 -11.880 1.00 0.00 O ATOM 5 CB ARG A 1 11.170 0.467 -12.648 1.00 0.00 C ATOM 6 CG ARG A 1 11.388 0.375 -11.154 1.00 0.00 C ATOM 7 CD ARG A 1 11.160 -1.030 -10.659 1.00 0.00 C ATOM 8 NE ARG A 1 11.145 -1.091 -9.203 1.00 0.00 N ATOM 9 CZ ARG A 1 10.420 -1.950 -8.494 1.00 0.00 C ATOM 10 NH1 ARG A 1 9.747 -2.913 -9.108 1.00 0.00 N ATOM 11 NH2 ARG A 1 10.388 -1.859 -7.175 1.00 0.00 N ATOM 0 H1 ARG A 1 13.016 2.695 -13.977 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.601 3.249 -12.426 1.00 0.00 H new ATOM 0 H3 ARG A 1 13.239 1.688 -12.628 1.00 0.00 H new ATOM 0 HA ARG A 1 11.051 1.834 -14.287 1.00 0.00 H new ATOM 0 HB2 ARG A 1 10.182 0.070 -12.883 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.898 -0.172 -13.149 1.00 0.00 H new ATOM 0 HG2 ARG A 1 12.403 0.689 -10.911 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.711 1.059 -10.642 1.00 0.00 H new ATOM 0 HD2 ARG A 1 10.214 -1.404 -11.049 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.944 -1.683 -11.043 1.00 0.00 H new ATOM 0 HE ARG A 1 11.731 -0.429 -8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 1 9.786 -2.994 -10.124 1.00 0.00 H new ATOM 0 HH12 ARG A 1 9.190 -3.573 -8.564 1.00 0.00 H new ATOM 0 HH21 ARG A 1 10.920 -1.129 -6.701 1.00 0.00 H new ATOM 0 HH22 ARG A 1 9.831 -2.519 -6.632 1.00 0.00 H new ATOM 27 N GLY A 2 9.024 2.546 -12.644 1.00 0.00 N ATOM 28 CA GLY A 2 8.049 3.378 -11.998 1.00 0.00 C ATOM 29 C GLY A 2 6.925 2.573 -11.383 1.00 0.00 C ATOM 30 O GLY A 2 5.891 2.371 -12.028 1.00 0.00 O ATOM 0 H GLY A 2 8.641 1.764 -13.175 1.00 0.00 H new ATOM 0 HA2 GLY A 2 8.536 3.970 -11.223 1.00 0.00 H new ATOM 0 HA3 GLY A 2 7.636 4.080 -12.723 1.00 0.00 H new ATOM 34 N PRO A 3 7.087 2.085 -10.147 1.00 0.00 N ATOM 35 CA PRO A 3 6.050 1.320 -9.478 1.00 0.00 C ATOM 36 C PRO A 3 5.009 2.240 -8.828 1.00 0.00 C ATOM 37 O PRO A 3 5.251 3.448 -8.637 1.00 0.00 O ATOM 38 CB PRO A 3 6.824 0.534 -8.415 1.00 0.00 C ATOM 39 CG PRO A 3 8.009 1.383 -8.085 1.00 0.00 C ATOM 40 CD PRO A 3 8.285 2.253 -9.293 1.00 0.00 C ATOM 0 HA PRO A 3 5.488 0.682 -10.161 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.210 0.355 -7.533 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.131 -0.441 -8.792 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.810 1.996 -7.206 1.00 0.00 H new ATOM 0 HG3 PRO A 3 8.874 0.762 -7.852 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.427 3.295 -9.008 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.190 1.938 -9.812 1.00 0.00 H new ATOM 48 N ASP A 4 3.866 1.701 -8.510 1.00 0.00 N ATOM 49 CA ASP A 4 2.820 2.482 -7.875 1.00 0.00 C ATOM 50 C ASP A 4 2.855 2.265 -6.383 1.00 0.00 C ATOM 51 O ASP A 4 3.385 1.258 -5.912 1.00 0.00 O ATOM 52 CB ASP A 4 1.448 2.098 -8.412 1.00 0.00 C ATOM 53 CG ASP A 4 0.349 3.000 -7.917 1.00 0.00 C ATOM 54 OD1 ASP A 4 0.185 4.104 -8.457 1.00 0.00 O ATOM 55 OD2 ASP A 4 -0.352 2.628 -6.964 1.00 0.00 O ATOM 0 H ASP A 4 3.626 0.724 -8.677 1.00 0.00 H new ATOM 0 HA ASP A 4 2.997 3.534 -8.099 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.470 2.125 -9.501 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.225 1.071 -8.123 1.00 0.00 H new ATOM 60 N LYS A 5 2.257 3.171 -5.660 1.00 0.00 N ATOM 61 CA LYS A 5 2.230 3.133 -4.208 1.00 0.00 C ATOM 62 C LYS A 5 1.367 1.979 -3.736 1.00 0.00 C ATOM 63 O LYS A 5 1.770 1.193 -2.881 1.00 0.00 O ATOM 64 CB LYS A 5 1.679 4.445 -3.630 1.00 0.00 C ATOM 65 CG LYS A 5 2.489 5.691 -3.950 1.00 0.00 C ATOM 66 CD LYS A 5 1.884 6.919 -3.271 1.00 0.00 C ATOM 67 CE LYS A 5 2.697 8.170 -3.550 1.00 0.00 C ATOM 68 NZ LYS A 5 2.160 9.365 -2.856 1.00 0.00 N ATOM 0 H LYS A 5 1.766 3.971 -6.059 1.00 0.00 H new ATOM 0 HA LYS A 5 3.253 2.999 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.664 4.587 -4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.612 4.345 -2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.519 5.556 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.519 5.844 -5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.862 7.063 -3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.831 6.751 -2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.728 8.006 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.715 8.355 -4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.751 10.191 -3.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.185 9.541 -3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.167 9.202 -1.829 1.00 0.00 H new ATOM 82 N SER A 6 0.216 1.837 -4.345 1.00 0.00 N ATOM 83 CA SER A 6 -0.727 0.826 -3.964 1.00 0.00 C ATOM 84 C SER A 6 -0.216 -0.546 -4.343 1.00 0.00 C ATOM 85 O SER A 6 -0.446 -1.526 -3.644 1.00 0.00 O ATOM 86 CB SER A 6 -2.041 1.116 -4.642 1.00 0.00 C ATOM 87 OG SER A 6 -2.393 2.454 -4.390 1.00 0.00 O ATOM 0 H SER A 6 -0.090 2.424 -5.121 1.00 0.00 H new ATOM 0 HA SER A 6 -0.865 0.837 -2.883 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.959 0.943 -5.715 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.815 0.445 -4.269 1.00 0.00 H new ATOM 0 HG SER A 6 -2.112 2.701 -3.484 1.00 0.00 H new ATOM 93 N TYR A 7 0.517 -0.610 -5.428 1.00 0.00 N ATOM 94 CA TYR A 7 1.033 -1.867 -5.876 1.00 0.00 C ATOM 95 C TYR A 7 2.234 -2.251 -5.021 1.00 0.00 C ATOM 96 O TYR A 7 2.503 -3.427 -4.795 1.00 0.00 O ATOM 97 CB TYR A 7 1.410 -1.802 -7.349 1.00 0.00 C ATOM 98 CG TYR A 7 1.531 -3.161 -7.987 1.00 0.00 C ATOM 99 CD1 TYR A 7 2.747 -3.825 -8.062 1.00 0.00 C ATOM 100 CD2 TYR A 7 0.407 -3.789 -8.501 1.00 0.00 C ATOM 101 CE1 TYR A 7 2.832 -5.081 -8.633 1.00 0.00 C ATOM 102 CE2 TYR A 7 0.483 -5.032 -9.073 1.00 0.00 C ATOM 103 CZ TYR A 7 1.692 -5.677 -9.140 1.00 0.00 C ATOM 104 OH TYR A 7 1.761 -6.943 -9.697 1.00 0.00 O ATOM 0 H TYR A 7 0.765 0.191 -6.009 1.00 0.00 H new ATOM 0 HA TYR A 7 0.262 -2.631 -5.769 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.660 -1.221 -7.885 1.00 0.00 H new ATOM 0 HB3 TYR A 7 2.357 -1.273 -7.453 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.637 -3.355 -7.670 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.548 -3.288 -8.450 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.782 -5.593 -8.683 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.405 -5.502 -9.469 1.00 0.00 H new ATOM 0 HH TYR A 7 0.871 -7.214 -10.004 1.00 0.00 H new ATOM 114 N LYS A 8 2.944 -1.248 -4.538 1.00 0.00 N ATOM 115 CA LYS A 8 4.079 -1.458 -3.679 1.00 0.00 C ATOM 116 C LYS A 8 3.620 -2.021 -2.334 1.00 0.00 C ATOM 117 O LYS A 8 4.164 -3.021 -1.856 1.00 0.00 O ATOM 118 CB LYS A 8 4.857 -0.155 -3.508 1.00 0.00 C ATOM 119 CG LYS A 8 6.119 -0.276 -2.678 1.00 0.00 C ATOM 120 CD LYS A 8 6.921 1.019 -2.681 1.00 0.00 C ATOM 121 CE LYS A 8 6.167 2.192 -2.057 1.00 0.00 C ATOM 122 NZ LYS A 8 5.889 1.998 -0.620 1.00 0.00 N ATOM 0 H LYS A 8 2.744 -0.267 -4.734 1.00 0.00 H new ATOM 0 HA LYS A 8 4.749 -2.187 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.122 0.226 -4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.203 0.585 -3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.857 -0.539 -1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.735 -1.086 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.853 0.863 -2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.189 1.271 -3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.750 3.103 -2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.226 2.336 -2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.452 2.858 -0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.240 1.195 -0.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.779 1.804 -0.117 1.00 0.00 H new ATOM 136 N ARG A 9 2.580 -1.408 -1.748 1.00 0.00 N ATOM 137 CA ARG A 9 2.034 -1.900 -0.481 1.00 0.00 C ATOM 138 C ARG A 9 1.435 -3.289 -0.673 1.00 0.00 C ATOM 139 O ARG A 9 1.483 -4.118 0.234 1.00 0.00 O ATOM 140 CB ARG A 9 0.983 -0.942 0.133 1.00 0.00 C ATOM 141 CG ARG A 9 -0.263 -0.744 -0.706 1.00 0.00 C ATOM 142 CD ARG A 9 -1.281 0.166 -0.038 1.00 0.00 C ATOM 143 NE ARG A 9 -1.873 -0.418 1.171 1.00 0.00 N ATOM 144 CZ ARG A 9 -2.558 0.269 2.104 1.00 0.00 C ATOM 145 NH1 ARG A 9 -2.774 1.571 1.962 1.00 0.00 N ATOM 146 NH2 ARG A 9 -3.045 -0.360 3.165 1.00 0.00 N ATOM 0 H ARG A 9 2.110 -0.586 -2.126 1.00 0.00 H new ATOM 0 HA ARG A 9 2.863 -1.952 0.225 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.689 -1.326 1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.450 0.029 0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.017 -0.322 -1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.722 -1.713 -0.902 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.801 1.110 0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.075 0.396 -0.749 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.757 -1.421 1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.420 2.060 1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.294 2.082 2.675 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.900 -1.364 3.274 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.564 0.160 3.872 1.00 0.00 H new ATOM 160 N LEU A 10 0.897 -3.535 -1.864 1.00 0.00 N ATOM 161 CA LEU A 10 0.314 -4.811 -2.213 1.00 0.00 C ATOM 162 C LEU A 10 1.359 -5.905 -2.190 1.00 0.00 C ATOM 163 O LEU A 10 1.132 -6.968 -1.623 1.00 0.00 O ATOM 164 CB LEU A 10 -0.348 -4.739 -3.585 1.00 0.00 C ATOM 165 CG LEU A 10 -0.946 -6.036 -4.103 1.00 0.00 C ATOM 166 CD1 LEU A 10 -2.016 -6.554 -3.159 1.00 0.00 C ATOM 167 CD2 LEU A 10 -1.496 -5.839 -5.496 1.00 0.00 C ATOM 0 H LEU A 10 0.857 -2.845 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.448 -5.050 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.137 -3.988 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.391 -4.389 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.157 -6.787 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.429 -7.483 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.578 -6.738 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.811 -5.814 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.921 -6.776 -5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.271 -5.073 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.693 -5.526 -6.163 1.00 0.00 H new ATOM 179 N GLN A 11 2.500 -5.632 -2.801 1.00 0.00 N ATOM 180 CA GLN A 11 3.621 -6.566 -2.826 1.00 0.00 C ATOM 181 C GLN A 11 4.029 -6.950 -1.421 1.00 0.00 C ATOM 182 O GLN A 11 4.035 -8.126 -1.078 1.00 0.00 O ATOM 183 CB GLN A 11 4.800 -5.958 -3.559 1.00 0.00 C ATOM 184 CG GLN A 11 4.595 -5.820 -5.043 1.00 0.00 C ATOM 185 CD GLN A 11 5.694 -5.035 -5.689 1.00 0.00 C ATOM 186 OE1 GLN A 11 6.717 -5.582 -6.096 1.00 0.00 O ATOM 187 NE2 GLN A 11 5.486 -3.756 -5.819 1.00 0.00 N ATOM 0 H GLN A 11 2.678 -4.757 -3.295 1.00 0.00 H new ATOM 0 HA GLN A 11 3.302 -7.465 -3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.007 -4.974 -3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.682 -6.573 -3.380 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.542 -6.810 -5.496 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.640 -5.331 -5.233 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.623 -3.341 -5.467 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.186 -3.169 -6.273 1.00 0.00 H new ATOM 196 N GLU A 12 4.319 -5.947 -0.609 1.00 0.00 N ATOM 197 CA GLU A 12 4.700 -6.154 0.778 1.00 0.00 C ATOM 198 C GLU A 12 3.622 -6.900 1.555 1.00 0.00 C ATOM 199 O GLU A 12 3.925 -7.807 2.336 1.00 0.00 O ATOM 200 CB GLU A 12 5.008 -4.815 1.435 1.00 0.00 C ATOM 201 CG GLU A 12 6.248 -4.142 0.879 1.00 0.00 C ATOM 202 CD GLU A 12 7.493 -4.949 1.149 1.00 0.00 C ATOM 203 OE1 GLU A 12 7.803 -5.877 0.379 1.00 0.00 O ATOM 204 OE2 GLU A 12 8.173 -4.696 2.165 1.00 0.00 O ATOM 0 H GLU A 12 4.297 -4.967 -0.892 1.00 0.00 H new ATOM 0 HA GLU A 12 5.596 -6.775 0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.154 -4.150 1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.135 -4.965 2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.133 -4.000 -0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.354 -3.152 1.322 1.00 0.00 H new ATOM 211 N CYS A 13 2.372 -6.549 1.303 1.00 0.00 N ATOM 212 CA CYS A 13 1.250 -7.161 1.982 1.00 0.00 C ATOM 213 C CYS A 13 1.145 -8.639 1.616 1.00 0.00 C ATOM 214 O CYS A 13 1.067 -9.502 2.502 1.00 0.00 O ATOM 215 CB CYS A 13 -0.057 -6.412 1.676 1.00 0.00 C ATOM 216 SG CYS A 13 -1.484 -6.908 2.706 1.00 0.00 S ATOM 0 H CYS A 13 2.110 -5.834 0.624 1.00 0.00 H new ATOM 0 HA CYS A 13 1.420 -7.092 3.056 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.114 -5.343 1.807 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.312 -6.568 0.628 1.00 0.00 H new ATOM 221 N GLN A 14 1.214 -8.937 0.316 1.00 0.00 N ATOM 222 CA GLN A 14 1.132 -10.307 -0.156 1.00 0.00 C ATOM 223 C GLN A 14 2.301 -11.125 0.345 1.00 0.00 C ATOM 224 O GLN A 14 2.104 -12.231 0.812 1.00 0.00 O ATOM 225 CB GLN A 14 1.041 -10.404 -1.677 1.00 0.00 C ATOM 226 CG GLN A 14 -0.217 -9.819 -2.285 1.00 0.00 C ATOM 227 CD GLN A 14 -0.274 -10.046 -3.781 1.00 0.00 C ATOM 228 OE1 GLN A 14 -0.816 -11.053 -4.253 1.00 0.00 O ATOM 229 NE2 GLN A 14 0.313 -9.152 -4.532 1.00 0.00 N ATOM 0 H GLN A 14 1.326 -8.243 -0.423 1.00 0.00 H new ATOM 0 HA GLN A 14 0.207 -10.715 0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.904 -9.898 -2.110 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.110 -11.453 -1.963 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.092 -10.269 -1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.258 -8.750 -2.077 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.749 -8.334 -4.105 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.335 -9.272 -5.545 1.00 0.00 H new ATOM 238 N ARG A 15 3.512 -10.565 0.273 1.00 0.00 N ATOM 239 CA ARG A 15 4.714 -11.254 0.751 1.00 0.00 C ATOM 240 C ARG A 15 4.582 -11.668 2.204 1.00 0.00 C ATOM 241 O ARG A 15 4.967 -12.778 2.586 1.00 0.00 O ATOM 242 CB ARG A 15 5.960 -10.409 0.571 1.00 0.00 C ATOM 243 CG ARG A 15 6.343 -10.180 -0.863 1.00 0.00 C ATOM 244 CD ARG A 15 7.703 -9.579 -0.928 1.00 0.00 C ATOM 245 NE ARG A 15 8.152 -9.342 -2.297 1.00 0.00 N ATOM 246 CZ ARG A 15 9.439 -9.389 -2.692 1.00 0.00 C ATOM 247 NH1 ARG A 15 10.394 -9.714 -1.824 1.00 0.00 N ATOM 248 NH2 ARG A 15 9.761 -9.122 -3.945 1.00 0.00 N ATOM 0 H ARG A 15 3.686 -9.636 -0.112 1.00 0.00 H new ATOM 0 HA ARG A 15 4.816 -12.151 0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.804 -9.444 1.053 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.791 -10.892 1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.325 -11.123 -1.410 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.620 -9.520 -1.342 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.705 -8.636 -0.381 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.411 -10.239 -0.427 1.00 0.00 H new ATOM 0 HE ARG A 15 7.445 -9.127 -3.000 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.152 -9.928 -0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.368 -9.749 -2.126 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.034 -8.879 -4.618 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.737 -9.159 -4.240 1.00 0.00 H new ATOM 262 N ARG A 16 4.026 -10.787 3.010 1.00 0.00 N ATOM 263 CA ARG A 16 3.788 -11.085 4.411 1.00 0.00 C ATOM 264 C ARG A 16 2.752 -12.170 4.552 1.00 0.00 C ATOM 265 O ARG A 16 2.949 -13.133 5.293 1.00 0.00 O ATOM 266 CB ARG A 16 3.377 -9.847 5.176 1.00 0.00 C ATOM 267 CG ARG A 16 4.478 -8.826 5.309 1.00 0.00 C ATOM 268 CD ARG A 16 3.983 -7.584 6.010 1.00 0.00 C ATOM 269 NE ARG A 16 3.410 -7.884 7.323 1.00 0.00 N ATOM 270 CZ ARG A 16 2.781 -7.005 8.105 1.00 0.00 C ATOM 271 NH1 ARG A 16 2.670 -5.738 7.736 1.00 0.00 N ATOM 272 NH2 ARG A 16 2.252 -7.401 9.246 1.00 0.00 N ATOM 0 H ARG A 16 3.729 -9.855 2.720 1.00 0.00 H new ATOM 0 HA ARG A 16 4.724 -11.442 4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.525 -9.387 4.675 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.042 -10.140 6.171 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.311 -9.255 5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.857 -8.564 4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.808 -6.881 6.127 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.232 -7.094 5.391 1.00 0.00 H new ATOM 0 HE ARG A 16 3.499 -8.840 7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.067 -5.429 6.849 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.188 -5.072 8.339 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.324 -8.378 9.530 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.771 -6.730 9.845 1.00 0.00 H new ATOM 286 N CYS A 17 1.677 -12.038 3.808 1.00 0.00 N ATOM 287 CA CYS A 17 0.619 -13.039 3.787 1.00 0.00 C ATOM 288 C CYS A 17 1.143 -14.409 3.388 1.00 0.00 C ATOM 289 O CYS A 17 0.724 -15.409 3.928 1.00 0.00 O ATOM 290 CB CYS A 17 -0.507 -12.631 2.844 1.00 0.00 C ATOM 291 SG CYS A 17 -1.484 -11.214 3.405 1.00 0.00 S ATOM 0 H CYS A 17 1.506 -11.238 3.199 1.00 0.00 H new ATOM 0 HA CYS A 17 0.229 -13.102 4.803 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.080 -12.398 1.869 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.173 -13.483 2.705 1.00 0.00 H new ATOM 296 N GLN A 18 2.087 -14.444 2.472 1.00 0.00 N ATOM 297 CA GLN A 18 2.656 -15.701 2.001 1.00 0.00 C ATOM 298 C GLN A 18 3.593 -16.329 3.042 1.00 0.00 C ATOM 299 O GLN A 18 3.993 -17.481 2.919 1.00 0.00 O ATOM 300 CB GLN A 18 3.357 -15.528 0.645 1.00 0.00 C ATOM 301 CG GLN A 18 2.450 -14.975 -0.446 1.00 0.00 C ATOM 302 CD GLN A 18 3.039 -15.080 -1.837 1.00 0.00 C ATOM 303 OE1 GLN A 18 2.812 -16.062 -2.540 1.00 0.00 O ATOM 304 NE2 GLN A 18 3.774 -14.095 -2.254 1.00 0.00 N ATOM 0 H GLN A 18 2.483 -13.613 2.032 1.00 0.00 H new ATOM 0 HA GLN A 18 1.827 -16.394 1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.210 -14.861 0.769 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.751 -16.492 0.324 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.500 -15.509 -0.422 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.233 -13.929 -0.231 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.944 -13.293 -1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.181 -14.123 -3.189 1.00 0.00 H new ATOM 313 N SER A 19 3.945 -15.566 4.048 1.00 0.00 N ATOM 314 CA SER A 19 4.802 -16.050 5.096 1.00 0.00 C ATOM 315 C SER A 19 3.964 -16.417 6.343 1.00 0.00 C ATOM 316 O SER A 19 4.111 -17.513 6.920 1.00 0.00 O ATOM 317 CB SER A 19 5.847 -14.970 5.434 1.00 0.00 C ATOM 318 OG SER A 19 6.789 -15.418 6.391 1.00 0.00 O ATOM 0 H SER A 19 3.646 -14.597 4.161 1.00 0.00 H new ATOM 0 HA SER A 19 5.319 -16.950 4.762 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.369 -14.674 4.524 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.340 -14.083 5.813 1.00 0.00 H new ATOM 0 HG SER A 19 7.434 -14.703 6.575 1.00 0.00 H new ATOM 324 N GLU A 20 3.084 -15.509 6.741 1.00 0.00 N ATOM 325 CA GLU A 20 2.265 -15.664 7.927 1.00 0.00 C ATOM 326 C GLU A 20 1.047 -16.555 7.687 1.00 0.00 C ATOM 327 O GLU A 20 0.514 -17.154 8.630 1.00 0.00 O ATOM 328 CB GLU A 20 1.800 -14.289 8.362 1.00 0.00 C ATOM 329 CG GLU A 20 2.938 -13.340 8.661 1.00 0.00 C ATOM 330 CD GLU A 20 3.675 -13.684 9.929 1.00 0.00 C ATOM 331 OE1 GLU A 20 3.289 -13.191 11.002 1.00 0.00 O ATOM 332 OE2 GLU A 20 4.669 -14.438 9.880 1.00 0.00 O ATOM 0 H GLU A 20 2.920 -14.635 6.241 1.00 0.00 H new ATOM 0 HA GLU A 20 2.868 -16.146 8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.175 -13.860 7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.176 -14.388 9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.639 -13.348 7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.547 -12.326 8.739 1.00 0.00 H new ATOM 339 N GLN A 21 0.600 -16.640 6.453 1.00 0.00 N ATOM 340 CA GLN A 21 -0.584 -17.404 6.134 1.00 0.00 C ATOM 341 C GLN A 21 -0.255 -18.435 5.072 1.00 0.00 C ATOM 342 O GLN A 21 0.844 -18.427 4.503 1.00 0.00 O ATOM 343 CB GLN A 21 -1.701 -16.480 5.631 1.00 0.00 C ATOM 344 CG GLN A 21 -2.058 -15.341 6.578 1.00 0.00 C ATOM 345 CD GLN A 21 -2.580 -15.805 7.918 1.00 0.00 C ATOM 346 OE1 GLN A 21 -3.196 -16.865 8.038 1.00 0.00 O ATOM 347 NE2 GLN A 21 -2.370 -15.010 8.921 1.00 0.00 N ATOM 0 H GLN A 21 1.041 -16.187 5.652 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.929 -17.908 7.037 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.400 -16.057 4.672 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.594 -17.077 5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.175 -14.722 6.737 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.809 -14.709 6.105 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.855 -14.140 8.783 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.719 -15.255 9.848 1.00 0.00 H new ATOM 356 N GLN A 22 -1.192 -19.309 4.806 1.00 0.00 N ATOM 357 CA GLN A 22 -1.027 -20.374 3.840 1.00 0.00 C ATOM 358 C GLN A 22 -2.374 -20.839 3.369 1.00 0.00 C ATOM 359 O GLN A 22 -3.372 -20.600 4.049 1.00 0.00 O ATOM 360 CB GLN A 22 -0.249 -21.540 4.452 1.00 0.00 C ATOM 361 CG GLN A 22 -0.783 -21.974 5.812 1.00 0.00 C ATOM 362 CD GLN A 22 0.011 -23.084 6.462 1.00 0.00 C ATOM 363 OE1 GLN A 22 0.105 -23.147 7.680 1.00 0.00 O ATOM 364 NE2 GLN A 22 0.544 -23.983 5.678 1.00 0.00 N ATOM 0 H GLN A 22 -2.106 -19.304 5.259 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.460 -19.995 2.990 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.283 -22.389 3.769 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.798 -21.255 4.555 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.794 -21.111 6.478 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.817 -22.301 5.697 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.446 -23.900 4.666 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.058 -24.768 6.078 1.00 0.00 H new ATOM 373 N GLY A 23 -2.387 -21.439 2.201 1.00 0.00 N ATOM 374 CA GLY A 23 -3.586 -22.010 1.591 1.00 0.00 C ATOM 375 C GLY A 23 -4.767 -21.067 1.545 1.00 0.00 C ATOM 376 O GLY A 23 -4.663 -19.930 1.058 1.00 0.00 O ATOM 0 H GLY A 23 -1.550 -21.551 1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.348 -22.326 0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.871 -22.905 2.145 1.00 0.00 H new ATOM 380 N GLN A 24 -5.865 -21.528 2.099 1.00 0.00 N ATOM 381 CA GLN A 24 -7.107 -20.787 2.160 1.00 0.00 C ATOM 382 C GLN A 24 -6.930 -19.494 2.933 1.00 0.00 C ATOM 383 O GLN A 24 -7.449 -18.447 2.534 1.00 0.00 O ATOM 384 CB GLN A 24 -8.217 -21.632 2.801 1.00 0.00 C ATOM 385 CG GLN A 24 -8.827 -22.732 1.922 1.00 0.00 C ATOM 386 CD GLN A 24 -7.860 -23.812 1.459 1.00 0.00 C ATOM 387 OE1 GLN A 24 -6.870 -24.142 2.133 1.00 0.00 O ATOM 388 NE2 GLN A 24 -8.140 -24.380 0.325 1.00 0.00 N ATOM 0 H GLN A 24 -5.922 -22.451 2.530 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.398 -20.545 1.138 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.816 -22.097 3.702 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.017 -20.963 3.117 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.637 -23.207 2.475 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.272 -22.266 1.043 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.961 -24.085 -0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.539 -25.121 -0.037 1.00 0.00 H new ATOM 397 N ARG A 25 -6.163 -19.559 4.013 1.00 0.00 N ATOM 398 CA ARG A 25 -5.890 -18.393 4.830 1.00 0.00 C ATOM 399 C ARG A 25 -5.051 -17.373 4.078 1.00 0.00 C ATOM 400 O ARG A 25 -5.187 -16.164 4.281 1.00 0.00 O ATOM 401 CB ARG A 25 -5.233 -18.788 6.127 1.00 0.00 C ATOM 402 CG ARG A 25 -6.155 -19.581 7.019 1.00 0.00 C ATOM 403 CD ARG A 25 -5.536 -19.815 8.360 1.00 0.00 C ATOM 404 NE ARG A 25 -4.361 -20.695 8.289 1.00 0.00 N ATOM 405 CZ ARG A 25 -3.310 -20.649 9.118 1.00 0.00 C ATOM 406 NH1 ARG A 25 -3.247 -19.727 10.080 1.00 0.00 N ATOM 407 NH2 ARG A 25 -2.329 -21.531 8.983 1.00 0.00 N ATOM 0 H ARG A 25 -5.718 -20.416 4.342 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.844 -17.921 5.066 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.341 -19.377 5.915 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.905 -17.891 6.653 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.098 -19.048 7.138 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.387 -20.537 6.550 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.245 -18.859 8.794 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.277 -20.256 9.027 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.345 -21.397 7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.003 -19.050 10.188 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.443 -19.699 10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.377 -22.239 8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.526 -21.501 9.611 1.00 0.00 H new ATOM 421 N LEU A 26 -4.202 -17.857 3.187 1.00 0.00 N ATOM 422 CA LEU A 26 -3.417 -16.982 2.340 1.00 0.00 C ATOM 423 C LEU A 26 -4.324 -16.249 1.385 1.00 0.00 C ATOM 424 O LEU A 26 -4.172 -15.044 1.189 1.00 0.00 O ATOM 425 CB LEU A 26 -2.312 -17.754 1.600 1.00 0.00 C ATOM 426 CG LEU A 26 -1.570 -17.026 0.462 1.00 0.00 C ATOM 427 CD1 LEU A 26 -1.013 -15.694 0.927 1.00 0.00 C ATOM 428 CD2 LEU A 26 -0.454 -17.901 -0.079 1.00 0.00 C ATOM 0 H LEU A 26 -4.040 -18.852 3.033 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.913 -16.248 2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.572 -18.068 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.755 -18.660 1.186 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.288 -16.829 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.496 -15.207 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.829 -15.058 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.313 -15.858 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.063 -17.376 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.252 -18.126 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.874 -18.830 -0.464 1.00 0.00 H new ATOM 440 N GLN A 27 -5.292 -16.959 0.834 1.00 0.00 N ATOM 441 CA GLN A 27 -6.257 -16.359 -0.073 1.00 0.00 C ATOM 442 C GLN A 27 -7.057 -15.276 0.619 1.00 0.00 C ATOM 443 O GLN A 27 -7.352 -14.244 0.024 1.00 0.00 O ATOM 444 CB GLN A 27 -7.180 -17.412 -0.681 1.00 0.00 C ATOM 445 CG GLN A 27 -6.447 -18.391 -1.574 1.00 0.00 C ATOM 446 CD GLN A 27 -5.754 -17.717 -2.754 1.00 0.00 C ATOM 447 OE1 GLN A 27 -4.699 -18.175 -3.213 1.00 0.00 O ATOM 448 NE2 GLN A 27 -6.343 -16.670 -3.284 1.00 0.00 N ATOM 0 H GLN A 27 -5.432 -17.956 0.999 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.698 -15.898 -0.887 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.676 -17.960 0.120 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.960 -16.915 -1.258 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.706 -18.929 -0.983 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.153 -19.131 -1.949 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.212 -16.316 -2.883 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.932 -16.211 -4.097 1.00 0.00 H new ATOM 457 N GLU A 28 -7.387 -15.502 1.874 1.00 0.00 N ATOM 458 CA GLU A 28 -8.102 -14.516 2.667 1.00 0.00 C ATOM 459 C GLU A 28 -7.216 -13.291 2.902 1.00 0.00 C ATOM 460 O GLU A 28 -7.628 -12.150 2.652 1.00 0.00 O ATOM 461 CB GLU A 28 -8.548 -15.130 3.997 1.00 0.00 C ATOM 462 CG GLU A 28 -9.467 -16.331 3.829 1.00 0.00 C ATOM 463 CD GLU A 28 -9.847 -16.974 5.137 1.00 0.00 C ATOM 464 OE1 GLU A 28 -11.010 -16.806 5.594 1.00 0.00 O ATOM 465 OE2 GLU A 28 -8.999 -17.653 5.744 1.00 0.00 O ATOM 0 H GLU A 28 -7.171 -16.365 2.372 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.992 -14.198 2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.667 -15.432 4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.060 -14.369 4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.372 -16.018 3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.976 -17.071 3.197 1.00 0.00 H new ATOM 472 N CYS A 29 -5.988 -13.548 3.310 1.00 0.00 N ATOM 473 CA CYS A 29 -5.024 -12.506 3.632 1.00 0.00 C ATOM 474 C CYS A 29 -4.684 -11.653 2.410 1.00 0.00 C ATOM 475 O CYS A 29 -4.811 -10.428 2.451 1.00 0.00 O ATOM 476 CB CYS A 29 -3.762 -13.133 4.214 1.00 0.00 C ATOM 477 SG CYS A 29 -2.567 -11.957 4.956 1.00 0.00 S ATOM 0 H CYS A 29 -5.625 -14.494 3.429 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.474 -11.846 4.373 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.054 -13.856 4.976 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.256 -13.689 3.425 1.00 0.00 H new ATOM 482 N GLN A 30 -4.299 -12.293 1.302 1.00 0.00 N ATOM 483 CA GLN A 30 -3.913 -11.539 0.109 1.00 0.00 C ATOM 484 C GLN A 30 -5.102 -10.775 -0.474 1.00 0.00 C ATOM 485 O GLN A 30 -4.933 -9.722 -1.079 1.00 0.00 O ATOM 486 CB GLN A 30 -3.261 -12.418 -0.967 1.00 0.00 C ATOM 487 CG GLN A 30 -4.175 -13.476 -1.550 1.00 0.00 C ATOM 488 CD GLN A 30 -3.579 -14.198 -2.735 1.00 0.00 C ATOM 489 OE1 GLN A 30 -4.296 -14.608 -3.646 1.00 0.00 O ATOM 490 NE2 GLN A 30 -2.284 -14.376 -2.737 1.00 0.00 N ATOM 0 H GLN A 30 -4.247 -13.307 1.207 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.160 -10.821 0.435 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.905 -11.778 -1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.386 -12.907 -0.538 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.417 -14.203 -0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.112 -13.009 -1.853 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.719 -14.022 -1.965 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.838 -14.868 -3.511 1.00 0.00 H new ATOM 499 N GLN A 31 -6.305 -11.297 -0.261 1.00 0.00 N ATOM 500 CA GLN A 31 -7.515 -10.642 -0.716 1.00 0.00 C ATOM 501 C GLN A 31 -7.719 -9.336 0.044 1.00 0.00 C ATOM 502 O GLN A 31 -8.203 -8.348 -0.526 1.00 0.00 O ATOM 503 CB GLN A 31 -8.717 -11.571 -0.555 1.00 0.00 C ATOM 504 CG GLN A 31 -10.049 -11.004 -1.022 1.00 0.00 C ATOM 505 CD GLN A 31 -10.026 -10.561 -2.467 1.00 0.00 C ATOM 506 OE1 GLN A 31 -10.300 -11.340 -3.382 1.00 0.00 O ATOM 507 NE2 GLN A 31 -9.721 -9.317 -2.685 1.00 0.00 N ATOM 0 H GLN A 31 -6.463 -12.178 0.228 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.416 -10.407 -1.776 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.520 -12.491 -1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.806 -11.843 0.497 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.825 -11.758 -0.891 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.318 -10.156 -0.392 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.500 -8.701 -1.902 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.703 -8.956 -3.639 1.00 0.00 H new ATOM 516 N ARG A 32 -7.322 -9.324 1.310 1.00 0.00 N ATOM 517 CA ARG A 32 -7.392 -8.113 2.119 1.00 0.00 C ATOM 518 C ARG A 32 -6.481 -7.068 1.493 1.00 0.00 C ATOM 519 O ARG A 32 -6.856 -5.907 1.326 1.00 0.00 O ATOM 520 CB ARG A 32 -6.925 -8.367 3.561 1.00 0.00 C ATOM 521 CG ARG A 32 -7.657 -9.459 4.353 1.00 0.00 C ATOM 522 CD ARG A 32 -9.151 -9.201 4.503 1.00 0.00 C ATOM 523 NE ARG A 32 -9.930 -9.570 3.313 1.00 0.00 N ATOM 524 CZ ARG A 32 -11.055 -8.949 2.910 1.00 0.00 C ATOM 525 NH1 ARG A 32 -11.505 -7.876 3.556 1.00 0.00 N ATOM 526 NH2 ARG A 32 -11.740 -9.422 1.882 1.00 0.00 N ATOM 0 H ARG A 32 -6.949 -10.138 1.799 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.428 -7.776 2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.866 -8.623 3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.013 -7.432 4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.510 -10.418 3.856 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.209 -9.541 5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.524 -9.761 5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.310 -8.144 4.719 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.595 -10.353 2.752 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.997 -7.517 4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.358 -7.413 3.243 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.416 -10.257 1.394 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.592 -8.951 1.577 1.00 0.00 H new ATOM 540 N CYS A 33 -5.297 -7.521 1.100 1.00 0.00 N ATOM 541 CA CYS A 33 -4.293 -6.681 0.462 1.00 0.00 C ATOM 542 C CYS A 33 -4.822 -6.102 -0.848 1.00 0.00 C ATOM 543 O CYS A 33 -4.632 -4.910 -1.129 1.00 0.00 O ATOM 544 CB CYS A 33 -3.036 -7.498 0.189 1.00 0.00 C ATOM 545 SG CYS A 33 -2.391 -8.368 1.641 1.00 0.00 S ATOM 0 H CYS A 33 -5.005 -8.491 1.217 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.056 -5.857 1.135 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.252 -8.227 -0.592 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.262 -6.836 -0.198 1.00 0.00 H new ATOM 550 N GLN A 34 -5.497 -6.953 -1.636 1.00 0.00 N ATOM 551 CA GLN A 34 -6.098 -6.549 -2.911 1.00 0.00 C ATOM 552 C GLN A 34 -7.106 -5.448 -2.700 1.00 0.00 C ATOM 553 O GLN A 34 -7.157 -4.488 -3.457 1.00 0.00 O ATOM 554 CB GLN A 34 -6.782 -7.740 -3.593 1.00 0.00 C ATOM 555 CG GLN A 34 -5.842 -8.851 -4.028 1.00 0.00 C ATOM 556 CD GLN A 34 -4.930 -8.459 -5.180 1.00 0.00 C ATOM 557 OE1 GLN A 34 -4.572 -7.299 -5.358 1.00 0.00 O ATOM 558 NE2 GLN A 34 -4.541 -9.424 -5.956 1.00 0.00 N ATOM 0 H GLN A 34 -5.640 -7.936 -1.406 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.297 -6.183 -3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.522 -8.156 -2.909 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.323 -7.378 -4.467 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.230 -9.152 -3.177 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.431 -9.720 -4.321 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.857 -10.378 -5.781 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.920 -9.228 -6.741 1.00 0.00 H new ATOM 567 N GLN A 35 -7.899 -5.588 -1.656 1.00 0.00 N ATOM 568 CA GLN A 35 -8.893 -4.599 -1.323 1.00 0.00 C ATOM 569 C GLN A 35 -8.235 -3.273 -0.985 1.00 0.00 C ATOM 570 O GLN A 35 -8.603 -2.262 -1.531 1.00 0.00 O ATOM 571 CB GLN A 35 -9.791 -5.088 -0.195 1.00 0.00 C ATOM 572 CG GLN A 35 -10.691 -6.250 -0.589 1.00 0.00 C ATOM 573 CD GLN A 35 -11.691 -5.871 -1.667 1.00 0.00 C ATOM 574 OE1 GLN A 35 -12.784 -5.419 -1.365 1.00 0.00 O ATOM 575 NE2 GLN A 35 -11.339 -6.054 -2.920 1.00 0.00 N ATOM 0 H GLN A 35 -7.870 -6.386 -1.022 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.528 -4.439 -2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.169 -5.391 0.647 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.411 -4.260 0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.076 -7.078 -0.943 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.227 -6.605 0.291 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.418 -6.434 -3.141 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.986 -5.816 -3.672 1.00 0.00 H new ATOM 584 N GLU A 36 -7.225 -3.309 -0.135 1.00 0.00 N ATOM 585 CA GLU A 36 -6.457 -2.113 0.240 1.00 0.00 C ATOM 586 C GLU A 36 -5.857 -1.429 -0.999 1.00 0.00 C ATOM 587 O GLU A 36 -5.947 -0.203 -1.160 1.00 0.00 O ATOM 588 CB GLU A 36 -5.365 -2.522 1.204 1.00 0.00 C ATOM 589 CG GLU A 36 -5.893 -3.020 2.542 1.00 0.00 C ATOM 590 CD GLU A 36 -6.491 -1.927 3.404 1.00 0.00 C ATOM 591 OE1 GLU A 36 -7.595 -1.416 3.099 1.00 0.00 O ATOM 592 OE2 GLU A 36 -5.882 -1.575 4.430 1.00 0.00 O ATOM 0 H GLU A 36 -6.906 -4.164 0.321 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.121 -1.393 0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.761 -3.306 0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.706 -1.671 1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.649 -3.784 2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.080 -3.498 3.089 1.00 0.00 H new ATOM 599 N TYR A 37 -5.276 -2.242 -1.859 1.00 0.00 N ATOM 600 CA TYR A 37 -4.734 -1.816 -3.152 1.00 0.00 C ATOM 601 C TYR A 37 -5.785 -1.027 -3.952 1.00 0.00 C ATOM 602 O TYR A 37 -5.525 0.082 -4.433 1.00 0.00 O ATOM 603 CB TYR A 37 -4.271 -3.066 -3.943 1.00 0.00 C ATOM 604 CG TYR A 37 -3.974 -2.818 -5.404 1.00 0.00 C ATOM 605 CD1 TYR A 37 -2.825 -2.170 -5.799 1.00 0.00 C ATOM 606 CD2 TYR A 37 -4.867 -3.225 -6.386 1.00 0.00 C ATOM 607 CE1 TYR A 37 -2.566 -1.921 -7.125 1.00 0.00 C ATOM 608 CE2 TYR A 37 -4.615 -2.990 -7.713 1.00 0.00 C ATOM 609 CZ TYR A 37 -3.464 -2.335 -8.080 1.00 0.00 C ATOM 610 OH TYR A 37 -3.228 -2.068 -9.413 1.00 0.00 O ATOM 0 H TYR A 37 -5.161 -3.240 -1.683 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.882 -1.156 -2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.376 -3.468 -3.468 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.043 -3.832 -3.869 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.113 -1.851 -5.052 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.775 -3.735 -6.100 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.663 -1.404 -7.415 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.317 -3.318 -8.466 1.00 0.00 H new ATOM 0 HH TYR A 37 -3.647 -2.761 -9.965 1.00 0.00 H new ATOM 620 N GLN A 38 -6.969 -1.597 -4.057 1.00 0.00 N ATOM 621 CA GLN A 38 -8.075 -0.981 -4.775 1.00 0.00 C ATOM 622 C GLN A 38 -8.582 0.256 -4.036 1.00 0.00 C ATOM 623 O GLN A 38 -8.992 1.237 -4.652 1.00 0.00 O ATOM 624 CB GLN A 38 -9.202 -1.996 -4.965 1.00 0.00 C ATOM 625 CG GLN A 38 -8.792 -3.200 -5.799 1.00 0.00 C ATOM 626 CD GLN A 38 -9.847 -4.286 -5.880 1.00 0.00 C ATOM 627 OE1 GLN A 38 -9.522 -5.471 -6.013 1.00 0.00 O ATOM 628 NE2 GLN A 38 -11.098 -3.920 -5.801 1.00 0.00 N ATOM 0 H GLN A 38 -7.195 -2.503 -3.647 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.720 -0.662 -5.755 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.542 -2.338 -3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.049 -1.503 -5.442 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.553 -2.865 -6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.880 -3.625 -5.380 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.335 -2.934 -5.691 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.838 -4.620 -5.849 1.00 0.00 H new ATOM 637 N ARG A 39 -8.513 0.217 -2.726 1.00 0.00 N ATOM 638 CA ARG A 39 -8.969 1.312 -1.880 1.00 0.00 C ATOM 639 C ARG A 39 -8.065 2.534 -1.970 1.00 0.00 C ATOM 640 O ARG A 39 -8.444 3.612 -1.544 1.00 0.00 O ATOM 641 CB ARG A 39 -9.119 0.870 -0.433 1.00 0.00 C ATOM 642 CG ARG A 39 -10.217 -0.143 -0.194 1.00 0.00 C ATOM 643 CD ARG A 39 -10.153 -0.688 1.216 1.00 0.00 C ATOM 644 NE ARG A 39 -11.097 -1.780 1.425 1.00 0.00 N ATOM 645 CZ ARG A 39 -10.911 -2.804 2.270 1.00 0.00 C ATOM 646 NH1 ARG A 39 -9.782 -2.913 2.957 1.00 0.00 N ATOM 647 NH2 ARG A 39 -11.845 -3.730 2.400 1.00 0.00 N ATOM 0 H ARG A 39 -8.138 -0.577 -2.207 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.949 1.603 -2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.173 0.447 -0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.313 1.748 0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.188 0.321 -0.365 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.124 -0.961 -0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.142 -1.039 1.423 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.364 0.113 1.924 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.964 -1.763 0.888 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.047 -2.215 2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.648 -3.695 3.598 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.706 -3.665 1.858 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.704 -4.510 3.043 1.00 0.00 H new ATOM 661 N GLU A 40 -6.865 2.389 -2.502 1.00 0.00 N ATOM 662 CA GLU A 40 -6.049 3.580 -2.714 1.00 0.00 C ATOM 663 C GLU A 40 -6.355 4.235 -4.052 1.00 0.00 C ATOM 664 O GLU A 40 -5.914 5.359 -4.332 1.00 0.00 O ATOM 665 CB GLU A 40 -4.572 3.352 -2.562 1.00 0.00 C ATOM 666 CG GLU A 40 -4.156 2.826 -1.222 1.00 0.00 C ATOM 667 CD GLU A 40 -2.711 3.095 -0.935 1.00 0.00 C ATOM 668 OE1 GLU A 40 -2.397 3.552 0.187 1.00 0.00 O ATOM 669 OE2 GLU A 40 -1.855 2.897 -1.820 1.00 0.00 O ATOM 0 H GLU A 40 -6.444 1.504 -2.785 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.331 4.261 -1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.245 2.651 -3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.052 4.292 -2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.770 3.284 -0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.339 1.752 -1.182 1.00 0.00 H new ATOM 676 N LYS A 41 -7.121 3.532 -4.878 1.00 0.00 N ATOM 677 CA LYS A 41 -7.603 4.067 -6.151 1.00 0.00 C ATOM 678 C LYS A 41 -8.932 4.783 -5.910 1.00 0.00 C ATOM 679 O LYS A 41 -9.600 5.264 -6.836 1.00 0.00 O ATOM 680 CB LYS A 41 -7.769 2.959 -7.189 1.00 0.00 C ATOM 681 CG LYS A 41 -6.487 2.216 -7.513 1.00 0.00 C ATOM 682 CD LYS A 41 -6.715 1.182 -8.592 1.00 0.00 C ATOM 683 CE LYS A 41 -5.434 0.440 -8.924 1.00 0.00 C ATOM 684 NZ LYS A 41 -5.612 -0.569 -10.003 1.00 0.00 N ATOM 0 H LYS A 41 -7.426 2.578 -4.687 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.870 4.771 -6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.509 2.245 -6.827 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.167 3.392 -8.107 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.725 2.924 -7.839 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.107 1.730 -6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.474 0.472 -8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.099 1.668 -9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.672 1.158 -9.227 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.065 -0.056 -8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.847 -1.272 -9.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.529 -1.046 -9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.585 -0.096 -10.929 1.00 0.00 H new ATOM 698 N GLY A 42 -9.305 4.787 -4.661 1.00 0.00 N ATOM 699 CA GLY A 42 -10.457 5.463 -4.161 1.00 0.00 C ATOM 700 C GLY A 42 -10.156 5.844 -2.747 1.00 0.00 C ATOM 701 O GLY A 42 -9.142 6.509 -2.499 1.00 0.00 O ATOM 0 H GLY A 42 -8.786 4.294 -3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.677 6.346 -4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.335 4.818 -4.209 1.00 0.00 H new ATOM 705 N GLN A 43 -10.957 5.394 -1.815 1.00 0.00 N ATOM 706 CA GLN A 43 -10.693 5.616 -0.400 1.00 0.00 C ATOM 707 C GLN A 43 -10.973 4.346 0.379 1.00 0.00 C ATOM 708 O GLN A 43 -11.781 3.526 -0.053 1.00 0.00 O ATOM 709 CB GLN A 43 -11.510 6.794 0.146 1.00 0.00 C ATOM 710 CG GLN A 43 -11.118 8.122 -0.479 1.00 0.00 C ATOM 711 CD GLN A 43 -11.921 9.290 0.014 1.00 0.00 C ATOM 712 OE1 GLN A 43 -13.087 9.162 0.379 1.00 0.00 O ATOM 713 NE2 GLN A 43 -11.304 10.437 0.036 1.00 0.00 N ATOM 0 H GLN A 43 -11.808 4.865 -2.005 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.641 5.876 -0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.569 6.611 -0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.377 6.853 1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.063 8.309 -0.278 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.228 8.049 -1.561 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.335 10.501 -0.276 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.790 11.271 0.365 1.00 0.00 H new ATOM 722 N HIS A 44 -10.277 4.152 1.485 1.00 0.00 N ATOM 723 CA HIS A 44 -10.500 2.981 2.336 1.00 0.00 C ATOM 724 C HIS A 44 -11.649 3.300 3.246 1.00 0.00 C ATOM 725 O HIS A 44 -12.490 2.451 3.540 1.00 0.00 O ATOM 726 CB HIS A 44 -9.274 2.633 3.214 1.00 0.00 C ATOM 727 CG HIS A 44 -7.971 2.427 2.491 1.00 0.00 C ATOM 728 ND1 HIS A 44 -7.299 1.221 2.416 1.00 0.00 N ATOM 729 CD2 HIS A 44 -7.185 3.320 1.852 1.00 0.00 C ATOM 730 CE1 HIS A 44 -6.165 1.423 1.758 1.00 0.00 C ATOM 731 NE2 HIS A 44 -6.047 2.683 1.394 1.00 0.00 N ATOM 0 H HIS A 44 -9.552 4.786 1.821 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.694 2.124 1.691 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.138 3.432 3.943 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.501 1.726 3.774 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -7.619 0.332 2.799 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.410 4.368 1.720 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.435 0.655 1.548 1.00 0.00 H new ATOM 739 N GLN A 45 -11.662 4.541 3.698 1.00 0.00 N ATOM 740 CA GLN A 45 -12.713 5.066 4.538 1.00 0.00 C ATOM 741 C GLN A 45 -14.003 5.186 3.762 1.00 0.00 C ATOM 742 O GLN A 45 -13.999 5.179 2.521 1.00 0.00 O ATOM 743 CB GLN A 45 -12.321 6.437 5.074 1.00 0.00 C ATOM 744 CG GLN A 45 -11.267 6.405 6.154 1.00 0.00 C ATOM 745 CD GLN A 45 -10.874 7.785 6.614 1.00 0.00 C ATOM 746 OE1 GLN A 45 -9.914 8.371 6.115 1.00 0.00 O ATOM 747 NE2 GLN A 45 -11.646 8.344 7.502 1.00 0.00 N ATOM 0 H GLN A 45 -10.930 5.219 3.486 1.00 0.00 H new ATOM 0 HA GLN A 45 -12.859 4.377 5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.958 7.047 4.247 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -13.211 6.929 5.466 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.639 5.834 7.004 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.385 5.884 5.782 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.433 7.825 7.893 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.464 9.300 7.807 1.00 0.00 H new ATOM 756 N GLY A 46 -15.092 5.318 4.472 1.00 0.00 N ATOM 757 CA GLY A 46 -16.369 5.485 3.842 1.00 0.00 C ATOM 758 C GLY A 46 -17.035 6.714 4.372 1.00 0.00 C ATOM 759 O GLY A 46 -18.256 6.777 4.493 1.00 0.00 O ATOM 0 H GLY A 46 -15.117 5.313 5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.245 5.564 2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.994 4.612 4.028 1.00 0.00 H new ATOM 763 N GLU A 47 -16.221 7.690 4.705 1.00 0.00 N ATOM 764 CA GLU A 47 -16.679 8.930 5.306 1.00 0.00 C ATOM 765 C GLU A 47 -16.764 10.036 4.262 1.00 0.00 C ATOM 766 O GLU A 47 -16.899 11.221 4.592 1.00 0.00 O ATOM 767 CB GLU A 47 -15.753 9.370 6.461 1.00 0.00 C ATOM 768 CG GLU A 47 -15.801 8.520 7.740 1.00 0.00 C ATOM 769 CD GLU A 47 -15.211 7.137 7.619 1.00 0.00 C ATOM 770 OE1 GLU A 47 -15.943 6.183 7.291 1.00 0.00 O ATOM 771 OE2 GLU A 47 -14.007 6.962 7.887 1.00 0.00 O ATOM 0 H GLU A 47 -15.211 7.648 4.566 1.00 0.00 H new ATOM 0 HA GLU A 47 -17.674 8.748 5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.727 9.375 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -16.002 10.398 6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.274 9.054 8.531 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.840 8.427 8.056 1.00 0.00 H new ATOM 778 N THR A 48 -16.647 9.652 3.020 1.00 0.00 N ATOM 779 CA THR A 48 -16.743 10.569 1.904 1.00 0.00 C ATOM 780 C THR A 48 -17.416 9.869 0.712 1.00 0.00 C ATOM 781 O THR A 48 -18.310 10.422 0.064 1.00 0.00 O ATOM 782 CB THR A 48 -15.335 11.086 1.510 1.00 0.00 C ATOM 783 OG1 THR A 48 -14.719 11.684 2.666 1.00 0.00 O ATOM 784 CG2 THR A 48 -15.404 12.117 0.391 1.00 0.00 C ATOM 0 H THR A 48 -16.480 8.684 2.746 1.00 0.00 H new ATOM 0 HA THR A 48 -17.351 11.425 2.197 1.00 0.00 H new ATOM 0 HB THR A 48 -14.749 10.240 1.151 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.827 12.013 2.428 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.397 12.454 0.144 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.862 11.668 -0.490 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.002 12.968 0.717 1.00 0.00 H new ATOM 792 N ASN A 49 -16.999 8.658 0.452 1.00 0.00 N ATOM 793 CA ASN A 49 -17.534 7.867 -0.622 1.00 0.00 C ATOM 794 C ASN A 49 -17.719 6.463 -0.109 1.00 0.00 C ATOM 795 O ASN A 49 -18.857 6.083 0.209 1.00 0.00 O ATOM 796 CB ASN A 49 -16.580 7.866 -1.825 1.00 0.00 C ATOM 797 CG ASN A 49 -17.133 7.098 -3.021 1.00 0.00 C ATOM 798 OD1 ASN A 49 -17.788 7.672 -3.896 1.00 0.00 O ATOM 799 ND2 ASN A 49 -16.875 5.821 -3.077 1.00 0.00 N ATOM 800 OXT ASN A 49 -16.710 5.753 0.059 1.00 0.00 O ATOM 0 H ASN A 49 -16.269 8.188 0.988 1.00 0.00 H new ATOM 0 HA ASN A 49 -18.485 8.284 -0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -16.378 8.895 -2.123 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -15.628 7.427 -1.527 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.218 5.265 -3.861 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.331 5.378 -2.337 1.00 0.00 H new TER 807 ASN A 49