USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 445 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 NoAdj-H: A 23 HIS HE2 : A 23 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.491 K(o=-0.49,f=-2.6!) USER MOD Single : A 5 ASN : amide:sc=-0.00886 K(o=-0.0089,f=-0.71) USER MOD Single : A 8 ASN : amide:sc= -0.309 K(o=-0.31,f=-3.4!) USER MOD Single : A 9 GLN : amide:sc= -0.402 X(o=-0.4,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0817 X(o=-0.082,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0201 X(o=-0.02,f=-0.039) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= -0.0572 (180deg=-0.374) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.37) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 55 ASN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.585 -37.965 1.896 1.00 0.00 N ATOM 2 CA MET A 1 2.459 -39.124 0.994 1.00 0.00 C ATOM 3 C MET A 1 0.995 -39.364 0.663 1.00 0.00 C ATOM 4 O MET A 1 0.354 -40.259 1.214 1.00 0.00 O ATOM 5 CB MET A 1 3.125 -40.350 1.608 1.00 0.00 C ATOM 6 CG MET A 1 3.088 -41.518 0.655 1.00 0.00 C ATOM 7 SD MET A 1 3.762 -42.968 1.544 1.00 0.00 S ATOM 8 CE MET A 1 2.230 -43.841 1.914 1.00 0.00 C ATOM 0 H1 MET A 1 3.588 -37.806 2.119 1.00 0.00 H new ATOM 0 H2 MET A 1 2.195 -37.120 1.432 1.00 0.00 H new ATOM 0 H3 MET A 1 2.061 -38.150 2.775 1.00 0.00 H new ATOM 0 HA MET A 1 2.977 -38.917 0.057 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.159 -40.117 1.864 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.619 -40.617 2.536 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.068 -41.711 0.323 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.678 -41.305 -0.236 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.456 -44.758 2.459 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.587 -43.206 2.523 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.719 -44.089 0.984 1.00 0.00 H new ATOM 20 N GLN A 2 0.433 -38.461 -0.138 1.00 0.00 N ATOM 21 CA GLN A 2 -1.004 -38.450 -0.383 1.00 0.00 C ATOM 22 C GLN A 2 -1.757 -38.083 0.891 1.00 0.00 C ATOM 23 O GLN A 2 -1.677 -38.787 1.898 1.00 0.00 O ATOM 24 CB GLN A 2 -1.512 -39.773 -0.963 1.00 0.00 C ATOM 25 CG GLN A 2 -2.188 -39.628 -2.313 1.00 0.00 C ATOM 26 CD GLN A 2 -3.384 -38.708 -2.280 1.00 0.00 C ATOM 27 OE1 GLN A 2 -3.265 -37.488 -2.195 1.00 0.00 O ATOM 28 NE2 GLN A 2 -4.567 -39.317 -2.299 1.00 0.00 N ATOM 0 H GLN A 2 0.951 -37.730 -0.626 1.00 0.00 H new ATOM 0 HA GLN A 2 -1.197 -37.688 -1.138 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.674 -40.463 -1.059 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.215 -40.221 -0.261 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.465 -39.249 -3.036 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.503 -40.611 -2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.616 -40.333 -2.371 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.424 -38.768 -2.242 1.00 0.00 H new ATOM 37 N ARG A 3 -2.646 -37.102 0.763 1.00 0.00 N ATOM 38 CA ARG A 3 -3.592 -36.788 1.826 1.00 0.00 C ATOM 39 C ARG A 3 -2.850 -36.356 3.087 1.00 0.00 C ATOM 40 O ARG A 3 -2.503 -37.182 3.932 1.00 0.00 O ATOM 41 CB ARG A 3 -4.504 -37.981 2.143 1.00 0.00 C ATOM 42 CG ARG A 3 -5.780 -38.040 1.317 1.00 0.00 C ATOM 43 CD ARG A 3 -6.827 -37.124 1.854 1.00 0.00 C ATOM 44 NE ARG A 3 -7.357 -37.585 3.129 1.00 0.00 N ATOM 45 CZ ARG A 3 -6.931 -37.125 4.307 1.00 0.00 C ATOM 46 NH1 ARG A 3 -5.853 -36.354 4.404 1.00 0.00 N ATOM 47 NH2 ARG A 3 -7.571 -37.491 5.419 1.00 0.00 N ATOM 0 H ARG A 3 -2.730 -36.513 -0.065 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.218 -35.968 1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.943 -38.902 1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.772 -37.946 3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.558 -37.773 0.284 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.160 -39.061 1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.406 -36.126 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.640 -37.041 1.133 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.090 -38.294 3.122 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.330 -36.101 3.566 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.549 -36.016 5.317 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.376 -38.115 5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.256 -37.147 6.326 1.00 0.00 H new ATOM 61 N GLY A 4 -2.797 -35.043 3.294 1.00 0.00 N ATOM 62 CA GLY A 4 -2.311 -34.490 4.551 1.00 0.00 C ATOM 63 C GLY A 4 -1.189 -33.490 4.294 1.00 0.00 C ATOM 64 O GLY A 4 -0.100 -33.860 3.853 1.00 0.00 O ATOM 0 H GLY A 4 -3.084 -34.345 2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.129 -34.001 5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.951 -35.293 5.194 1.00 0.00 H new ATOM 68 N ASN A 5 -1.399 -32.264 4.765 1.00 0.00 N ATOM 69 CA ASN A 5 -0.340 -31.264 4.785 1.00 0.00 C ATOM 70 C ASN A 5 0.014 -30.837 3.365 1.00 0.00 C ATOM 71 O ASN A 5 1.130 -31.064 2.896 1.00 0.00 O ATOM 72 CB ASN A 5 0.855 -31.727 5.616 1.00 0.00 C ATOM 73 CG ASN A 5 0.479 -32.155 7.022 1.00 0.00 C ATOM 74 OD1 ASN A 5 -0.592 -31.790 7.530 1.00 0.00 O ATOM 75 ND2 ASN A 5 1.355 -32.930 7.658 1.00 0.00 N ATOM 0 H ASN A 5 -2.292 -31.941 5.137 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.703 -30.369 5.291 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.341 -32.560 5.108 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.584 -30.919 5.673 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.158 -33.250 8.606 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.223 -33.203 7.197 1.00 0.00 H new ATOM 82 N PHE A 6 -0.870 -30.038 2.774 1.00 0.00 N ATOM 83 CA PHE A 6 -0.571 -29.373 1.512 1.00 0.00 C ATOM 84 C PHE A 6 -1.761 -28.533 1.060 1.00 0.00 C ATOM 85 O PHE A 6 -2.848 -28.616 1.631 1.00 0.00 O ATOM 86 CB PHE A 6 -0.185 -30.353 0.373 1.00 0.00 C ATOM 87 CG PHE A 6 -1.108 -31.534 0.297 1.00 0.00 C ATOM 88 CD1 PHE A 6 -2.397 -31.467 -0.231 1.00 0.00 C ATOM 89 CD2 PHE A 6 -0.645 -32.742 0.825 1.00 0.00 C ATOM 90 CE1 PHE A 6 -3.200 -32.610 -0.293 1.00 0.00 C ATOM 91 CE2 PHE A 6 -1.424 -33.887 0.774 1.00 0.00 C ATOM 92 CZ PHE A 6 -2.689 -33.830 0.185 1.00 0.00 C ATOM 0 H PHE A 6 -1.797 -29.836 3.149 1.00 0.00 H new ATOM 0 HA PHE A 6 0.296 -28.741 1.706 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.199 -29.823 -0.579 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.836 -30.702 0.528 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.778 -30.524 -0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.334 -32.784 1.279 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.198 -32.557 -0.702 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.056 -34.815 1.186 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.280 -34.730 0.096 1.00 0.00 H new ATOM 102 N ARG A 7 -1.594 -27.879 -0.087 1.00 0.00 N ATOM 103 CA ARG A 7 -2.711 -27.230 -0.762 1.00 0.00 C ATOM 104 C ARG A 7 -3.306 -26.139 0.122 1.00 0.00 C ATOM 105 O ARG A 7 -2.738 -25.783 1.155 1.00 0.00 O ATOM 106 CB ARG A 7 -3.801 -28.237 -1.150 1.00 0.00 C ATOM 107 CG ARG A 7 -3.503 -29.041 -2.408 1.00 0.00 C ATOM 108 CD ARG A 7 -3.977 -28.340 -3.635 1.00 0.00 C ATOM 109 NE ARG A 7 -4.403 -29.272 -4.669 1.00 0.00 N ATOM 110 CZ ARG A 7 -5.138 -28.910 -5.722 1.00 0.00 C ATOM 111 NH1 ARG A 7 -5.700 -27.708 -5.798 1.00 0.00 N ATOM 112 NH2 ARG A 7 -5.360 -29.794 -6.696 1.00 0.00 N ATOM 0 H ARG A 7 -0.698 -27.785 -0.566 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.323 -26.782 -1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.951 -28.928 -0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.739 -27.700 -1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.430 -29.218 -2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.983 -30.017 -2.338 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.806 -27.681 -3.378 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.177 -27.709 -4.023 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.126 -30.250 -4.584 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.574 -27.037 -5.040 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.257 -27.456 -6.614 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.970 -30.734 -6.630 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.920 -29.530 -7.506 1.00 0.00 H new ATOM 126 N ASN A 8 -4.331 -25.475 -0.405 1.00 0.00 N ATOM 127 CA ASN A 8 -4.856 -24.266 0.217 1.00 0.00 C ATOM 128 C ASN A 8 -3.852 -23.125 0.089 1.00 0.00 C ATOM 129 O ASN A 8 -2.944 -22.989 0.909 1.00 0.00 O ATOM 130 CB ASN A 8 -5.328 -24.528 1.645 1.00 0.00 C ATOM 131 CG ASN A 8 -6.755 -24.081 1.897 1.00 0.00 C ATOM 132 OD1 ASN A 8 -7.572 -24.014 0.967 1.00 0.00 O ATOM 133 ND2 ASN A 8 -7.077 -23.819 3.164 1.00 0.00 N ATOM 0 H ASN A 8 -4.813 -25.754 -1.260 1.00 0.00 H new ATOM 0 HA ASN A 8 -5.750 -23.947 -0.318 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.246 -25.594 1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.665 -24.012 2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.031 -23.550 3.402 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.369 -23.888 3.895 1.00 0.00 H new ATOM 140 N GLN A 9 -3.895 -22.456 -1.060 1.00 0.00 N ATOM 141 CA GLN A 9 -2.850 -21.508 -1.428 1.00 0.00 C ATOM 142 C GLN A 9 -3.443 -20.343 -2.214 1.00 0.00 C ATOM 143 O GLN A 9 -3.325 -19.184 -1.812 1.00 0.00 O ATOM 144 CB GLN A 9 -1.703 -22.166 -2.199 1.00 0.00 C ATOM 145 CG GLN A 9 -1.221 -23.466 -1.584 1.00 0.00 C ATOM 146 CD GLN A 9 0.081 -23.952 -2.172 1.00 0.00 C ATOM 147 OE1 GLN A 9 0.953 -24.471 -1.481 1.00 0.00 O ATOM 148 NE2 GLN A 9 0.177 -23.847 -3.496 1.00 0.00 N ATOM 0 H GLN A 9 -4.640 -22.553 -1.750 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.420 -21.126 -0.502 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.027 -22.357 -3.222 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.867 -21.469 -2.254 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.099 -23.329 -0.510 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.984 -24.232 -1.723 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.574 -23.407 -4.029 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.001 -24.206 -3.978 1.00 0.00 H new ATOM 157 N ARG A 10 -4.338 -20.689 -3.141 1.00 0.00 N ATOM 158 CA ARG A 10 -5.000 -19.686 -3.962 1.00 0.00 C ATOM 159 C ARG A 10 -3.988 -18.974 -4.854 1.00 0.00 C ATOM 160 O ARG A 10 -3.878 -19.270 -6.045 1.00 0.00 O ATOM 161 CB ARG A 10 -5.755 -18.657 -3.110 1.00 0.00 C ATOM 162 CG ARG A 10 -6.365 -19.217 -1.833 1.00 0.00 C ATOM 163 CD ARG A 10 -7.811 -19.536 -2.007 1.00 0.00 C ATOM 164 NE ARG A 10 -8.273 -20.528 -1.047 1.00 0.00 N ATOM 165 CZ ARG A 10 -9.458 -21.135 -1.136 1.00 0.00 C ATOM 166 NH1 ARG A 10 -10.384 -20.731 -2.000 1.00 0.00 N ATOM 167 NH2 ARG A 10 -9.741 -22.136 -0.301 1.00 0.00 N ATOM 0 H ARG A 10 -4.617 -21.650 -3.338 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.728 -20.207 -4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.071 -17.850 -2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.549 -18.217 -3.714 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.827 -20.117 -1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.246 -18.494 -1.026 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.399 -18.625 -1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.981 -19.905 -3.019 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.661 -20.771 -0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.197 -19.939 -2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.282 -21.213 -2.048 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.055 -22.429 0.395 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.643 -22.608 -0.358 1.00 0.00 H new ATOM 181 N LYS A 11 -3.099 -18.218 -4.215 1.00 0.00 N ATOM 182 CA LYS A 11 -1.941 -17.658 -4.897 1.00 0.00 C ATOM 183 C LYS A 11 -2.382 -16.670 -5.972 1.00 0.00 C ATOM 184 O LYS A 11 -2.666 -17.052 -7.107 1.00 0.00 O ATOM 185 CB LYS A 11 -1.077 -18.744 -5.541 1.00 0.00 C ATOM 186 CG LYS A 11 0.426 -18.510 -5.392 1.00 0.00 C ATOM 187 CD LYS A 11 0.895 -18.544 -3.950 1.00 0.00 C ATOM 188 CE LYS A 11 1.163 -17.220 -3.357 1.00 0.00 C ATOM 189 NZ LYS A 11 0.721 -17.142 -1.958 1.00 0.00 N ATOM 0 H LYS A 11 -3.161 -17.980 -3.225 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.344 -17.145 -4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.330 -19.707 -5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.321 -18.808 -6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.964 -19.269 -5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.682 -17.544 -5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.140 -19.050 -3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.803 -19.144 -3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.231 -17.008 -3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.655 -16.452 -3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.928 -16.195 -1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.303 -17.319 -1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.224 -17.857 -1.395 1.00 0.00 H new ATOM 203 N ILE A 12 -2.250 -15.385 -5.653 1.00 0.00 N ATOM 204 CA ILE A 12 -2.372 -14.335 -6.659 1.00 0.00 C ATOM 205 C ILE A 12 -1.821 -13.021 -6.123 1.00 0.00 C ATOM 206 O ILE A 12 -1.103 -12.297 -6.810 1.00 0.00 O ATOM 207 CB ILE A 12 -3.873 -14.200 -7.121 1.00 0.00 C ATOM 208 CG1 ILE A 12 -3.922 -13.428 -8.465 1.00 0.00 C ATOM 209 CG2 ILE A 12 -4.772 -13.555 -6.045 1.00 0.00 C ATOM 210 CD1 ILE A 12 -5.297 -13.464 -9.174 1.00 0.00 C ATOM 0 H ILE A 12 -2.059 -15.047 -4.710 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.780 -14.603 -7.534 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.280 -15.200 -7.270 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.648 -12.389 -8.283 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.170 -13.843 -9.136 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.794 -13.487 -6.418 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.755 -14.166 -5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.403 -12.556 -5.814 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.241 -12.900 -10.105 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.567 -14.497 -9.392 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.052 -13.020 -8.526 1.00 0.00 H new ATOM 222 N ILE A 13 -2.283 -12.639 -4.934 1.00 0.00 N ATOM 223 CA ILE A 13 -1.652 -11.570 -4.177 1.00 0.00 C ATOM 224 C ILE A 13 -1.620 -10.267 -4.960 1.00 0.00 C ATOM 225 O ILE A 13 -0.587 -9.591 -5.025 1.00 0.00 O ATOM 226 CB ILE A 13 -0.234 -12.008 -3.661 1.00 0.00 C ATOM 227 CG1 ILE A 13 0.228 -11.022 -2.552 1.00 0.00 C ATOM 228 CG2 ILE A 13 0.815 -12.151 -4.780 1.00 0.00 C ATOM 229 CD1 ILE A 13 -0.175 -11.442 -1.118 1.00 0.00 C ATOM 0 H ILE A 13 -3.093 -13.057 -4.477 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.262 -11.374 -3.295 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.327 -13.011 -3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.313 -10.924 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.190 -10.037 -2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.768 -12.456 -4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.484 -12.904 -5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.936 -11.195 -5.289 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.186 -10.700 -0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.261 -11.511 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.265 -12.412 -0.886 1.00 0.00 H new ATOM 241 N LYS A 14 -2.813 -9.777 -5.299 1.00 0.00 N ATOM 242 CA LYS A 14 -2.962 -8.438 -5.852 1.00 0.00 C ATOM 243 C LYS A 14 -3.497 -7.480 -4.794 1.00 0.00 C ATOM 244 O LYS A 14 -4.314 -7.851 -3.953 1.00 0.00 O ATOM 245 CB LYS A 14 -3.903 -8.424 -7.059 1.00 0.00 C ATOM 246 CG LYS A 14 -5.288 -9.004 -6.770 1.00 0.00 C ATOM 247 CD LYS A 14 -6.408 -8.001 -6.967 1.00 0.00 C ATOM 248 CE LYS A 14 -6.829 -7.814 -8.368 1.00 0.00 C ATOM 249 NZ LYS A 14 -6.457 -6.490 -8.885 1.00 0.00 N ATOM 0 H LYS A 14 -3.688 -10.291 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.973 -8.115 -6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.015 -7.398 -7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.445 -8.989 -7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.459 -9.862 -7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.314 -9.371 -5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.271 -8.321 -6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.090 -7.039 -6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.374 -8.586 -8.989 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.909 -7.941 -8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.772 -6.402 -9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.911 -5.752 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.424 -6.377 -8.840 1.00 0.00 H new ATOM 263 N CYS A 15 -2.972 -6.259 -4.812 1.00 0.00 N ATOM 264 CA CYS A 15 -3.193 -5.331 -3.698 1.00 0.00 C ATOM 265 C CYS A 15 -4.221 -4.279 -4.099 1.00 0.00 C ATOM 266 O CYS A 15 -3.922 -3.368 -4.876 1.00 0.00 O ATOM 267 CB CYS A 15 -1.870 -4.705 -3.267 1.00 0.00 C ATOM 268 SG CYS A 15 -1.927 -3.779 -1.718 1.00 0.00 S ATOM 0 H CYS A 15 -2.399 -5.889 -5.570 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.591 -5.873 -2.840 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.126 -5.496 -3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.527 -4.038 -4.058 1.00 0.00 H new ATOM 273 N PHE A 16 -5.284 -4.199 -3.293 1.00 0.00 N ATOM 274 CA PHE A 16 -6.346 -3.239 -3.537 1.00 0.00 C ATOM 275 C PHE A 16 -5.885 -1.814 -3.248 1.00 0.00 C ATOM 276 O PHE A 16 -6.623 -0.856 -3.512 1.00 0.00 O ATOM 277 CB PHE A 16 -7.635 -3.520 -2.718 1.00 0.00 C ATOM 278 CG PHE A 16 -8.474 -4.603 -3.333 1.00 0.00 C ATOM 279 CD1 PHE A 16 -9.450 -4.360 -4.300 1.00 0.00 C ATOM 280 CD2 PHE A 16 -8.234 -5.914 -2.916 1.00 0.00 C ATOM 281 CE1 PHE A 16 -10.156 -5.419 -4.879 1.00 0.00 C ATOM 282 CE2 PHE A 16 -8.922 -6.978 -3.476 1.00 0.00 C ATOM 283 CZ PHE A 16 -9.858 -6.735 -4.484 1.00 0.00 C ATOM 0 H PHE A 16 -5.425 -4.788 -2.472 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.589 -3.349 -4.594 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -7.363 -3.807 -1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.223 -2.605 -2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.662 -3.346 -4.604 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.501 -6.101 -2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.919 -5.229 -5.619 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.736 -7.986 -3.136 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.357 -7.564 -4.964 1.00 0.00 H new ATOM 293 N ASN A 17 -4.823 -1.694 -2.462 1.00 0.00 N ATOM 294 CA ASN A 17 -4.559 -0.463 -1.706 1.00 0.00 C ATOM 295 C ASN A 17 -3.647 0.453 -2.509 1.00 0.00 C ATOM 296 O ASN A 17 -3.975 1.606 -2.779 1.00 0.00 O ATOM 297 CB ASN A 17 -4.032 -0.807 -0.311 1.00 0.00 C ATOM 298 CG ASN A 17 -3.944 0.390 0.611 1.00 0.00 C ATOM 299 OD1 ASN A 17 -4.896 0.693 1.350 1.00 0.00 O ATOM 300 ND2 ASN A 17 -2.873 1.173 0.460 1.00 0.00 N ATOM 0 H ASN A 17 -4.128 -2.429 -2.327 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.482 0.094 -1.548 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.682 -1.557 0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.044 -1.257 -0.405 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.814 2.059 0.962 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.114 0.885 -0.157 1.00 0.00 H new ATOM 307 N CYS A 18 -2.535 -0.115 -2.974 1.00 0.00 N ATOM 308 CA CYS A 18 -1.651 0.593 -3.890 1.00 0.00 C ATOM 309 C CYS A 18 -2.050 0.321 -5.336 1.00 0.00 C ATOM 310 O CYS A 18 -1.712 1.082 -6.242 1.00 0.00 O ATOM 311 CB CYS A 18 -0.187 0.262 -3.627 1.00 0.00 C ATOM 312 SG CYS A 18 0.221 -1.498 -3.684 1.00 0.00 S ATOM 0 H CYS A 18 -2.229 -1.057 -2.732 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.763 1.662 -3.712 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.426 0.785 -4.361 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.087 0.652 -2.647 1.00 0.00 H new ATOM 317 N GLY A 19 -2.537 -0.899 -5.565 1.00 0.00 N ATOM 318 CA GLY A 19 -2.923 -1.320 -6.904 1.00 0.00 C ATOM 319 C GLY A 19 -1.980 -2.405 -7.414 1.00 0.00 C ATOM 320 O GLY A 19 -2.319 -3.158 -8.329 1.00 0.00 O ATOM 0 H GLY A 19 -2.671 -1.606 -4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.946 -1.695 -6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.904 -0.465 -7.580 1.00 0.00 H new ATOM 324 N LYS A 20 -0.729 -2.327 -6.969 1.00 0.00 N ATOM 325 CA LYS A 20 0.331 -3.156 -7.526 1.00 0.00 C ATOM 326 C LYS A 20 0.035 -4.632 -7.283 1.00 0.00 C ATOM 327 O LYS A 20 -0.782 -4.981 -6.430 1.00 0.00 O ATOM 328 CB LYS A 20 1.695 -2.815 -6.922 1.00 0.00 C ATOM 329 CG LYS A 20 2.342 -1.564 -7.518 1.00 0.00 C ATOM 330 CD LYS A 20 3.686 -1.838 -8.164 1.00 0.00 C ATOM 331 CE LYS A 20 4.599 -0.680 -8.204 1.00 0.00 C ATOM 332 NZ LYS A 20 5.999 -1.086 -8.380 1.00 0.00 N ATOM 0 H LYS A 20 -0.426 -1.698 -6.225 1.00 0.00 H new ATOM 0 HA LYS A 20 0.366 -2.955 -8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.581 -2.676 -5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.366 -3.662 -7.064 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.670 -1.134 -8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.469 -0.819 -6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.174 -2.650 -7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.519 -2.187 -9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.309 -0.018 -9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.501 -0.109 -7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.605 -0.241 -8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.285 -1.697 -7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.099 -1.608 -9.274 1.00 0.00 H new ATOM 346 N GLU A 21 0.908 -5.477 -7.829 1.00 0.00 N ATOM 347 CA GLU A 21 0.817 -6.912 -7.609 1.00 0.00 C ATOM 348 C GLU A 21 2.008 -7.403 -6.791 1.00 0.00 C ATOM 349 O GLU A 21 3.159 -7.104 -7.110 1.00 0.00 O ATOM 350 CB GLU A 21 0.773 -7.589 -8.986 1.00 0.00 C ATOM 351 CG GLU A 21 1.914 -7.883 -9.776 1.00 0.00 C ATOM 352 CD GLU A 21 2.199 -9.328 -10.057 1.00 0.00 C ATOM 353 OE1 GLU A 21 1.841 -10.248 -9.342 1.00 0.00 O ATOM 354 OE2 GLU A 21 2.876 -9.483 -11.096 1.00 0.00 O ATOM 0 H GLU A 21 1.684 -5.189 -8.425 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.082 -7.159 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.256 -8.537 -8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.129 -6.967 -9.607 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.806 -7.368 -10.731 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.787 -7.457 -9.281 1.00 0.00 H new ATOM 361 N GLY A 22 1.727 -8.322 -5.870 1.00 0.00 N ATOM 362 CA GLY A 22 2.783 -9.068 -5.195 1.00 0.00 C ATOM 363 C GLY A 22 2.771 -8.769 -3.699 1.00 0.00 C ATOM 364 O GLY A 22 3.724 -9.088 -2.985 1.00 0.00 O ATOM 0 H GLY A 22 0.781 -8.566 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.645 -10.137 -5.360 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.752 -8.803 -5.618 1.00 0.00 H new ATOM 368 N HIS A 23 1.605 -8.359 -3.207 1.00 0.00 N ATOM 369 CA HIS A 23 1.359 -8.318 -1.768 1.00 0.00 C ATOM 370 C HIS A 23 -0.094 -7.957 -1.491 1.00 0.00 C ATOM 371 O HIS A 23 -0.876 -7.710 -2.408 1.00 0.00 O ATOM 372 CB HIS A 23 2.288 -7.340 -1.009 1.00 0.00 C ATOM 373 CG HIS A 23 2.093 -5.910 -1.431 1.00 0.00 C ATOM 374 ND1 HIS A 23 2.636 -5.363 -2.565 1.00 0.00 N ATOM 375 CD2 HIS A 23 1.203 -4.996 -0.965 1.00 0.00 C ATOM 376 CE1 HIS A 23 2.109 -4.164 -2.765 1.00 0.00 C ATOM 377 NE2 HIS A 23 1.216 -3.931 -1.828 1.00 0.00 N ATOM 0 H HIS A 23 0.819 -8.052 -3.780 1.00 0.00 H new ATOM 0 HA HIS A 23 1.580 -9.318 -1.396 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.104 -7.427 0.062 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.326 -7.626 -1.178 1.00 0.00 H new ATOM 0 HD1 HIS A 23 3.335 -5.808 -3.160 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.596 -5.091 -0.077 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.370 -3.489 -3.566 1.00 0.00 H new ATOM 385 N ILE A 24 -0.494 -8.142 -0.233 1.00 0.00 N ATOM 386 CA ILE A 24 -1.858 -7.843 0.178 1.00 0.00 C ATOM 387 C ILE A 24 -1.919 -6.501 0.897 1.00 0.00 C ATOM 388 O ILE A 24 -0.911 -5.969 1.356 1.00 0.00 O ATOM 389 CB ILE A 24 -2.429 -9.011 1.070 1.00 0.00 C ATOM 390 CG1 ILE A 24 -1.538 -9.167 2.330 1.00 0.00 C ATOM 391 CG2 ILE A 24 -2.580 -10.335 0.293 1.00 0.00 C ATOM 392 CD1 ILE A 24 -2.141 -10.069 3.434 1.00 0.00 C ATOM 0 H ILE A 24 0.106 -8.496 0.512 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.486 -7.766 -0.709 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.440 -8.748 1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.574 -9.577 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.347 -8.179 2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.977 -11.103 0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.263 -10.190 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.607 -10.649 -0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.452 -10.122 4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.091 -9.651 3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.305 -11.070 3.036 1.00 0.00 H new ATOM 404 N ALA A 25 -3.143 -6.015 1.093 1.00 0.00 N ATOM 405 CA ALA A 25 -3.325 -4.609 1.489 1.00 0.00 C ATOM 406 C ALA A 25 -3.205 -4.469 2.996 1.00 0.00 C ATOM 407 O ALA A 25 -2.671 -3.477 3.502 1.00 0.00 O ATOM 408 CB ALA A 25 -4.702 -4.157 0.992 1.00 0.00 C ATOM 0 H ALA A 25 -4.005 -6.551 0.989 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.553 -3.979 1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.866 -3.116 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.747 -4.253 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.474 -4.780 1.444 1.00 0.00 H new ATOM 414 N LYS A 26 -3.496 -5.562 3.700 1.00 0.00 N ATOM 415 CA LYS A 26 -3.219 -5.650 5.127 1.00 0.00 C ATOM 416 C LYS A 26 -1.725 -5.505 5.391 1.00 0.00 C ATOM 417 O LYS A 26 -1.302 -5.253 6.519 1.00 0.00 O ATOM 418 CB LYS A 26 -3.702 -6.977 5.718 1.00 0.00 C ATOM 419 CG LYS A 26 -5.132 -6.930 6.257 1.00 0.00 C ATOM 420 CD LYS A 26 -5.217 -7.194 7.748 1.00 0.00 C ATOM 421 CE LYS A 26 -5.964 -8.411 8.118 1.00 0.00 C ATOM 422 NZ LYS A 26 -6.877 -8.177 9.245 1.00 0.00 N ATOM 0 H LYS A 26 -3.924 -6.398 3.302 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.762 -4.836 5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.638 -7.750 4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.030 -7.271 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.562 -5.952 6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.737 -7.667 5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.206 -7.269 8.148 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.687 -6.336 8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.533 -8.762 7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.261 -9.202 8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.381 -9.058 9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.332 -7.867 10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.565 -7.441 8.987 1.00 0.00 H new ATOM 436 N ASN A 27 -0.935 -5.927 4.405 1.00 0.00 N ATOM 437 CA ASN A 27 0.514 -5.930 4.541 1.00 0.00 C ATOM 438 C ASN A 27 1.133 -4.802 3.726 1.00 0.00 C ATOM 439 O ASN A 27 2.298 -4.855 3.338 1.00 0.00 O ATOM 440 CB ASN A 27 1.103 -7.310 4.249 1.00 0.00 C ATOM 441 CG ASN A 27 2.458 -7.530 4.894 1.00 0.00 C ATOM 442 OD1 ASN A 27 3.495 -7.123 4.348 1.00 0.00 O ATOM 443 ND2 ASN A 27 2.460 -8.177 6.060 1.00 0.00 N ATOM 0 H ASN A 27 -1.276 -6.270 3.507 1.00 0.00 H new ATOM 0 HA ASN A 27 0.773 -5.727 5.580 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.411 -8.075 4.602 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.196 -7.437 3.170 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.341 -8.356 6.542 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.581 -8.492 6.470 1.00 0.00 H new ATOM 450 N CYS A 28 0.377 -3.710 3.607 1.00 0.00 N ATOM 451 CA CYS A 28 0.777 -2.627 2.703 1.00 0.00 C ATOM 452 C CYS A 28 1.215 -1.413 3.508 1.00 0.00 C ATOM 453 O CYS A 28 0.506 -0.947 4.399 1.00 0.00 O ATOM 454 CB CYS A 28 -0.371 -2.298 1.748 1.00 0.00 C ATOM 455 SG CYS A 28 0.073 -1.224 0.369 1.00 0.00 S ATOM 0 H CYS A 28 -0.495 -3.551 4.111 1.00 0.00 H new ATOM 0 HA CYS A 28 1.628 -2.945 2.100 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.771 -3.230 1.349 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.172 -1.824 2.315 1.00 0.00 H new ATOM 460 N ARG A 29 2.480 -1.036 3.323 1.00 0.00 N ATOM 461 CA ARG A 29 3.038 0.111 4.024 1.00 0.00 C ATOM 462 C ARG A 29 2.953 1.365 3.163 1.00 0.00 C ATOM 463 O ARG A 29 3.615 2.368 3.435 1.00 0.00 O ATOM 464 CB ARG A 29 4.493 -0.135 4.447 1.00 0.00 C ATOM 465 CG ARG A 29 4.800 0.217 5.895 1.00 0.00 C ATOM 466 CD ARG A 29 4.463 1.638 6.200 1.00 0.00 C ATOM 467 NE ARG A 29 4.982 2.059 7.493 1.00 0.00 N ATOM 468 CZ ARG A 29 4.755 3.266 8.014 1.00 0.00 C ATOM 469 NH1 ARG A 29 3.873 4.102 7.475 1.00 0.00 N ATOM 470 NH2 ARG A 29 5.387 3.621 9.133 1.00 0.00 N ATOM 0 H ARG A 29 3.132 -1.508 2.696 1.00 0.00 H new ATOM 0 HA ARG A 29 2.443 0.257 4.926 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.732 -1.186 4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.149 0.446 3.799 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.237 -0.441 6.557 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.857 0.042 6.096 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.869 2.282 5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.380 1.764 6.186 1.00 0.00 H new ATOM 0 HE ARG A 29 5.547 1.399 8.027 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.351 3.826 6.643 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.718 5.019 7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.035 2.973 9.580 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.222 4.541 9.542 1.00 0.00 H new ATOM 484 N ALA A 30 1.885 1.411 2.362 1.00 0.00 N ATOM 485 CA ALA A 30 1.710 2.531 1.428 1.00 0.00 C ATOM 486 C ALA A 30 0.937 3.656 2.103 1.00 0.00 C ATOM 487 O ALA A 30 -0.056 3.394 2.791 1.00 0.00 O ATOM 488 CB ALA A 30 0.953 2.004 0.202 1.00 0.00 C ATOM 0 H ALA A 30 1.146 0.708 2.338 1.00 0.00 H new ATOM 0 HA ALA A 30 2.676 2.933 1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.807 2.815 -0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.530 1.207 -0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.017 1.615 0.513 1.00 0.00 H new ATOM 494 N PRO A 31 1.227 4.916 1.728 1.00 0.00 N ATOM 495 CA PRO A 31 0.213 5.968 1.854 1.00 0.00 C ATOM 496 C PRO A 31 -0.737 5.894 0.675 1.00 0.00 C ATOM 497 O PRO A 31 -1.463 4.915 0.492 1.00 0.00 O ATOM 498 CB PRO A 31 1.176 7.137 2.036 1.00 0.00 C ATOM 499 CG PRO A 31 2.402 6.769 1.208 1.00 0.00 C ATOM 500 CD PRO A 31 2.384 5.297 0.933 1.00 0.00 C ATOM 0 HA PRO A 31 -0.531 5.968 2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.733 8.071 1.691 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.435 7.275 3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 31 2.404 7.326 0.271 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.312 7.041 1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.257 5.071 -0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.298 4.799 1.258 1.00 0.00 H new ATOM 508 N ARG A 32 -0.798 6.989 -0.082 1.00 0.00 N ATOM 509 CA ARG A 32 -1.703 7.083 -1.217 1.00 0.00 C ATOM 510 C ARG A 32 -1.483 8.398 -1.963 1.00 0.00 C ATOM 511 O ARG A 32 -1.793 9.472 -1.444 1.00 0.00 O ATOM 512 CB ARG A 32 -3.172 6.976 -0.786 1.00 0.00 C ATOM 513 CG ARG A 32 -4.152 6.745 -1.927 1.00 0.00 C ATOM 514 CD ARG A 32 -4.782 8.019 -2.378 1.00 0.00 C ATOM 515 NE ARG A 32 -6.088 7.801 -2.984 1.00 0.00 N ATOM 516 CZ ARG A 32 -6.277 7.030 -4.057 1.00 0.00 C ATOM 517 NH1 ARG A 32 -5.254 6.563 -4.767 1.00 0.00 N ATOM 518 NH2 ARG A 32 -7.521 6.766 -4.458 1.00 0.00 N ATOM 0 H ARG A 32 -0.229 7.821 0.074 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.482 6.245 -1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.268 6.159 -0.071 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.451 7.891 -0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.633 6.279 -2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.927 6.049 -1.606 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.886 8.692 -1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.127 8.512 -3.097 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.898 8.260 -2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.298 6.792 -4.495 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.426 5.976 -5.583 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.314 7.152 -3.946 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.679 6.178 -5.276 1.00 0.00 H new ATOM 532 N LYS A 33 -0.721 8.315 -3.050 1.00 0.00 N ATOM 533 CA LYS A 33 -0.180 9.506 -3.694 1.00 0.00 C ATOM 534 C LYS A 33 -1.309 10.404 -4.186 1.00 0.00 C ATOM 535 O LYS A 33 -2.129 9.997 -5.009 1.00 0.00 O ATOM 536 CB LYS A 33 0.725 9.150 -4.875 1.00 0.00 C ATOM 537 CG LYS A 33 0.216 7.978 -5.716 1.00 0.00 C ATOM 538 CD LYS A 33 0.408 8.186 -7.206 1.00 0.00 C ATOM 539 CE LYS A 33 -0.818 8.545 -7.943 1.00 0.00 C ATOM 540 NZ LYS A 33 -1.458 7.374 -8.556 1.00 0.00 N ATOM 0 H LYS A 33 -0.465 7.437 -3.502 1.00 0.00 H new ATOM 0 HA LYS A 33 0.415 10.032 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.830 10.025 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.719 8.909 -4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.735 7.069 -5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.843 7.824 -5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.149 8.971 -7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.820 7.273 -7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.521 9.027 -7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.575 9.272 -8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.315 7.673 -9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.798 6.928 -9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.715 6.691 -7.815 1.00 0.00 H new ATOM 554 N ARG A 34 -1.219 11.681 -3.824 1.00 0.00 N ATOM 555 CA ARG A 34 -2.090 12.698 -4.401 1.00 0.00 C ATOM 556 C ARG A 34 -1.301 13.968 -4.696 1.00 0.00 C ATOM 557 O ARG A 34 -1.099 14.338 -5.851 1.00 0.00 O ATOM 558 CB ARG A 34 -3.271 13.022 -3.475 1.00 0.00 C ATOM 559 CG ARG A 34 -4.222 14.083 -4.010 1.00 0.00 C ATOM 560 CD ARG A 34 -4.778 13.704 -5.341 1.00 0.00 C ATOM 561 NE ARG A 34 -5.470 14.813 -5.982 1.00 0.00 N ATOM 562 CZ ARG A 34 -5.704 14.868 -7.295 1.00 0.00 C ATOM 563 NH1 ARG A 34 -5.145 14.004 -8.137 1.00 0.00 N ATOM 564 NH2 ARG A 34 -6.471 15.845 -7.779 1.00 0.00 N ATOM 0 H ARG A 34 -0.554 12.034 -3.136 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.490 12.297 -5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.834 12.107 -3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.881 13.354 -2.513 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.038 14.230 -3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.697 15.034 -4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.970 13.360 -5.986 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.467 12.868 -5.221 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.792 15.586 -5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.521 13.278 -7.784 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.340 14.067 -9.136 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.871 16.539 -7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.658 15.898 -8.780 1.00 0.00 H new ATOM 578 N GLY A 35 -1.064 14.744 -3.639 1.00 0.00 N ATOM 579 CA GLY A 35 -0.333 15.996 -3.768 1.00 0.00 C ATOM 580 C GLY A 35 -0.845 17.020 -2.760 1.00 0.00 C ATOM 581 O GLY A 35 -1.630 16.692 -1.870 1.00 0.00 O ATOM 0 H GLY A 35 -1.367 14.526 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.731 15.821 -3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.444 16.386 -4.780 1.00 0.00 H new ATOM 585 N CYS A 36 -0.218 18.193 -2.774 1.00 0.00 N ATOM 586 CA CYS A 36 -0.438 19.188 -1.732 1.00 0.00 C ATOM 587 C CYS A 36 -1.575 20.126 -2.128 1.00 0.00 C ATOM 588 O CYS A 36 -1.417 20.960 -3.022 1.00 0.00 O ATOM 589 CB CYS A 36 0.843 19.962 -1.431 1.00 0.00 C ATOM 590 SG CYS A 36 0.914 20.676 0.230 1.00 0.00 S ATOM 0 H CYS A 36 0.445 18.476 -3.495 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.727 18.671 -0.817 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.695 19.295 -1.563 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.949 20.763 -2.162 1.00 0.00 H new ATOM 595 N TRP A 37 -2.561 20.219 -1.234 1.00 0.00 N ATOM 596 CA TRP A 37 -3.684 21.119 -1.438 1.00 0.00 C ATOM 597 C TRP A 37 -3.316 22.544 -1.033 1.00 0.00 C ATOM 598 O TRP A 37 -4.049 23.490 -1.335 1.00 0.00 O ATOM 599 CB TRP A 37 -4.940 20.617 -0.724 1.00 0.00 C ATOM 600 CG TRP A 37 -6.115 20.390 -1.611 1.00 0.00 C ATOM 601 CD1 TRP A 37 -6.347 19.316 -2.427 1.00 0.00 C ATOM 602 CD2 TRP A 37 -7.170 21.329 -1.884 1.00 0.00 C ATOM 603 NE1 TRP A 37 -7.479 19.523 -3.180 1.00 0.00 N ATOM 604 CE2 TRP A 37 -8.003 20.744 -2.864 1.00 0.00 C ATOM 605 CE3 TRP A 37 -7.473 22.593 -1.392 1.00 0.00 C ATOM 606 CZ2 TRP A 37 -9.131 21.387 -3.354 1.00 0.00 C ATOM 607 CZ3 TRP A 37 -8.597 23.231 -1.876 1.00 0.00 C ATOM 608 CH2 TRP A 37 -9.413 22.643 -2.839 1.00 0.00 C ATOM 0 H TRP A 37 -2.600 19.682 -0.367 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.919 21.136 -2.502 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.702 19.684 -0.214 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.217 21.339 0.044 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -5.729 18.432 -2.473 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.864 18.871 -3.863 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.845 23.064 -0.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.761 20.930 -4.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -8.850 24.211 -1.498 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -10.283 23.176 -3.192 1.00 0.00 H new ATOM 619 N LYS A 38 -2.343 22.649 -0.133 1.00 0.00 N ATOM 620 CA LYS A 38 -2.103 23.890 0.594 1.00 0.00 C ATOM 621 C LYS A 38 -1.306 24.864 -0.267 1.00 0.00 C ATOM 622 O LYS A 38 -1.652 26.042 -0.374 1.00 0.00 O ATOM 623 CB LYS A 38 -1.350 23.647 1.902 1.00 0.00 C ATOM 624 CG LYS A 38 -1.773 24.575 3.042 1.00 0.00 C ATOM 625 CD LYS A 38 -0.611 25.328 3.661 1.00 0.00 C ATOM 626 CE LYS A 38 -0.391 26.681 3.117 1.00 0.00 C ATOM 627 NZ LYS A 38 -1.507 27.587 3.421 1.00 0.00 N ATOM 0 H LYS A 38 -1.708 21.889 0.110 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.078 24.316 0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.504 22.613 2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.282 23.771 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.503 25.292 2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.270 23.988 3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.778 25.406 4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.298 24.743 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.531 27.091 3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.258 26.620 2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.175 28.572 3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.265 27.451 2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.872 27.381 4.373 1.00 0.00 H new ATOM 641 N CYS A 39 -0.380 24.310 -1.045 1.00 0.00 N ATOM 642 CA CYS A 39 0.317 25.080 -2.066 1.00 0.00 C ATOM 643 C CYS A 39 -0.156 24.681 -3.456 1.00 0.00 C ATOM 644 O CYS A 39 -0.335 25.521 -4.337 1.00 0.00 O ATOM 645 CB CYS A 39 1.831 24.955 -1.921 1.00 0.00 C ATOM 646 SG CYS A 39 2.457 23.259 -1.922 1.00 0.00 S ATOM 0 H CYS A 39 -0.097 23.332 -0.987 1.00 0.00 H new ATOM 0 HA CYS A 39 0.073 26.133 -1.924 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.306 25.503 -2.735 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.134 25.438 -0.992 1.00 0.00 H new ATOM 651 N GLY A 40 -0.208 23.370 -3.685 1.00 0.00 N ATOM 652 CA GLY A 40 -0.671 22.843 -4.961 1.00 0.00 C ATOM 653 C GLY A 40 0.288 21.776 -5.476 1.00 0.00 C ATOM 654 O GLY A 40 -0.039 21.018 -6.390 1.00 0.00 O ATOM 0 H GLY A 40 0.064 22.659 -3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.669 22.419 -4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.750 23.651 -5.688 1.00 0.00 H new ATOM 658 N LYS A 41 1.534 21.863 -5.019 1.00 0.00 N ATOM 659 CA LYS A 41 2.606 21.043 -5.569 1.00 0.00 C ATOM 660 C LYS A 41 2.337 19.566 -5.299 1.00 0.00 C ATOM 661 O LYS A 41 1.294 19.200 -4.758 1.00 0.00 O ATOM 662 CB LYS A 41 3.967 21.418 -4.980 1.00 0.00 C ATOM 663 CG LYS A 41 5.106 21.415 -6.001 1.00 0.00 C ATOM 664 CD LYS A 41 6.239 20.478 -5.629 1.00 0.00 C ATOM 665 CE LYS A 41 7.154 20.143 -6.736 1.00 0.00 C ATOM 666 NZ LYS A 41 8.065 19.046 -6.387 1.00 0.00 N ATOM 0 H LYS A 41 1.825 22.492 -4.271 1.00 0.00 H new ATOM 0 HA LYS A 41 2.631 21.227 -6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.897 22.409 -4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.209 20.721 -4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.711 21.128 -6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.498 22.427 -6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.817 20.931 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.814 19.555 -5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.572 19.865 -7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.735 21.025 -7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.690 18.844 -7.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.639 19.320 -5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.512 18.196 -6.156 1.00 0.00 H new ATOM 680 N GLU A 42 3.202 18.720 -5.852 1.00 0.00 N ATOM 681 CA GLU A 42 2.977 17.282 -5.833 1.00 0.00 C ATOM 682 C GLU A 42 4.171 16.564 -5.214 1.00 0.00 C ATOM 683 O GLU A 42 4.516 15.450 -5.609 1.00 0.00 O ATOM 684 CB GLU A 42 2.748 16.832 -7.283 1.00 0.00 C ATOM 685 CG GLU A 42 1.999 17.560 -8.243 1.00 0.00 C ATOM 686 CD GLU A 42 2.760 18.189 -9.372 1.00 0.00 C ATOM 687 OE1 GLU A 42 3.700 18.950 -9.224 1.00 0.00 O ATOM 688 OE2 GLU A 42 2.272 17.902 -10.487 1.00 0.00 O ATOM 0 H GLU A 42 4.063 19.007 -6.317 1.00 0.00 H new ATOM 0 HA GLU A 42 2.107 17.035 -5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.739 16.693 -7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.285 15.847 -7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.254 16.889 -8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.456 18.348 -7.721 1.00 0.00 H new ATOM 695 N GLY A 43 4.900 17.293 -4.373 1.00 0.00 N ATOM 696 CA GLY A 43 6.181 16.817 -3.868 1.00 0.00 C ATOM 697 C GLY A 43 6.065 16.441 -2.395 1.00 0.00 C ATOM 698 O GLY A 43 6.251 15.284 -2.019 1.00 0.00 O ATOM 0 H GLY A 43 4.625 18.213 -4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.508 15.953 -4.446 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.939 17.590 -3.994 1.00 0.00 H new ATOM 702 N HIS A 44 5.504 17.368 -1.618 1.00 0.00 N ATOM 703 CA HIS A 44 5.278 17.134 -0.202 1.00 0.00 C ATOM 704 C HIS A 44 3.779 17.066 0.095 1.00 0.00 C ATOM 705 O HIS A 44 2.972 17.713 -0.575 1.00 0.00 O ATOM 706 CB HIS A 44 5.911 18.211 0.719 1.00 0.00 C ATOM 707 CG HIS A 44 5.382 19.587 0.434 1.00 0.00 C ATOM 708 ND1 HIS A 44 5.968 20.471 -0.435 1.00 0.00 N ATOM 709 CD2 HIS A 44 4.186 20.132 0.774 1.00 0.00 C ATOM 710 CE1 HIS A 44 5.156 21.503 -0.617 1.00 0.00 C ATOM 711 NE2 HIS A 44 4.056 21.305 0.076 1.00 0.00 N ATOM 0 H HIS A 44 5.200 18.284 -1.949 1.00 0.00 H new ATOM 0 HA HIS A 44 5.766 16.184 0.017 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.714 17.957 1.760 1.00 0.00 H new ATOM 0 HB3 HIS A 44 6.993 18.206 0.589 1.00 0.00 H new ATOM 0 HD1 HIS A 44 6.882 20.353 -0.872 1.00 0.00 H new ATOM 0 HD2 HIS A 44 3.469 19.718 1.467 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.364 22.365 -1.233 1.00 0.00 H new ATOM 719 N GLN A 45 3.503 16.671 1.348 1.00 0.00 N ATOM 720 CA GLN A 45 2.104 16.488 1.758 1.00 0.00 C ATOM 721 C GLN A 45 1.689 17.590 2.715 1.00 0.00 C ATOM 722 O GLN A 45 2.524 18.295 3.282 1.00 0.00 O ATOM 723 CB GLN A 45 1.914 15.098 2.386 1.00 0.00 C ATOM 724 CG GLN A 45 2.817 14.846 3.580 1.00 0.00 C ATOM 725 CD GLN A 45 3.358 13.437 3.620 1.00 0.00 C ATOM 726 OE1 GLN A 45 4.373 13.116 3.005 1.00 0.00 O ATOM 727 NE2 GLN A 45 2.563 12.545 4.209 1.00 0.00 N ATOM 0 H GLN A 45 4.199 16.479 2.068 1.00 0.00 H new ATOM 0 HA GLN A 45 1.462 16.550 0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.875 14.987 2.696 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.104 14.337 1.629 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.650 15.549 3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.262 15.043 4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.730 12.856 4.709 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.787 11.551 4.160 1.00 0.00 H new ATOM 736 N MET A 46 0.377 17.776 2.849 1.00 0.00 N ATOM 737 CA MET A 46 -0.156 18.922 3.575 1.00 0.00 C ATOM 738 C MET A 46 0.163 18.806 5.061 1.00 0.00 C ATOM 739 O MET A 46 0.607 19.765 5.692 1.00 0.00 O ATOM 740 CB MET A 46 -1.654 19.080 3.324 1.00 0.00 C ATOM 741 CG MET A 46 -2.178 20.338 3.967 1.00 0.00 C ATOM 742 SD MET A 46 -3.995 20.347 3.749 1.00 0.00 S ATOM 743 CE MET A 46 -4.501 19.726 5.363 1.00 0.00 C ATOM 0 H MET A 46 -0.331 17.150 2.466 1.00 0.00 H new ATOM 0 HA MET A 46 0.327 19.825 3.203 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.846 19.108 2.251 1.00 0.00 H new ATOM 0 HB3 MET A 46 -2.186 18.215 3.721 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.918 20.365 5.025 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.732 21.219 3.506 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.589 19.667 5.406 1.00 0.00 H new ATOM 0 HE2 MET A 46 -4.077 18.734 5.520 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.144 20.401 6.141 1.00 0.00 H new ATOM 753 N LYS A 47 0.182 17.561 5.537 1.00 0.00 N ATOM 754 CA LYS A 47 0.512 17.288 6.928 1.00 0.00 C ATOM 755 C LYS A 47 1.978 17.609 7.201 1.00 0.00 C ATOM 756 O LYS A 47 2.331 18.073 8.286 1.00 0.00 O ATOM 757 CB LYS A 47 0.245 15.828 7.301 1.00 0.00 C ATOM 758 CG LYS A 47 -1.157 15.577 7.857 1.00 0.00 C ATOM 759 CD LYS A 47 -1.276 15.888 9.337 1.00 0.00 C ATOM 760 CE LYS A 47 -1.519 14.714 10.197 1.00 0.00 C ATOM 761 NZ LYS A 47 -0.364 13.808 10.234 1.00 0.00 N ATOM 0 H LYS A 47 -0.027 16.732 4.980 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.129 17.924 7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.392 15.205 6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.981 15.512 8.041 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.874 16.185 7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.427 14.534 7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.360 16.379 9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.088 16.601 9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.750 15.048 11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.392 14.173 9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.578 12.997 10.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.158 13.468 9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.464 14.316 10.606 1.00 0.00 H new ATOM 775 N ASP A 48 2.775 17.576 6.136 1.00 0.00 N ATOM 776 CA ASP A 48 4.146 18.061 6.194 1.00 0.00 C ATOM 777 C ASP A 48 4.180 19.579 6.013 1.00 0.00 C ATOM 778 O ASP A 48 5.178 20.223 6.343 1.00 0.00 O ATOM 779 CB ASP A 48 5.056 17.302 5.232 1.00 0.00 C ATOM 780 CG ASP A 48 5.612 16.017 5.818 1.00 0.00 C ATOM 781 OD1 ASP A 48 6.583 16.045 6.591 1.00 0.00 O ATOM 782 OD2 ASP A 48 5.157 14.953 5.344 1.00 0.00 O ATOM 0 H ASP A 48 2.492 17.218 5.224 1.00 0.00 H new ATOM 0 HA ASP A 48 4.552 17.857 7.185 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.499 17.068 4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.884 17.948 4.940 1.00 0.00 H new ATOM 787 N CYS A 49 3.233 20.079 5.221 1.00 0.00 N ATOM 788 CA CYS A 49 3.344 21.412 4.643 1.00 0.00 C ATOM 789 C CYS A 49 3.126 22.478 5.718 1.00 0.00 C ATOM 790 O CYS A 49 1.981 22.818 6.031 1.00 0.00 O ATOM 791 CB CYS A 49 2.380 21.595 3.475 1.00 0.00 C ATOM 792 SG CYS A 49 2.755 23.020 2.421 1.00 0.00 S ATOM 0 H CYS A 49 2.381 19.579 4.966 1.00 0.00 H new ATOM 0 HA CYS A 49 4.353 21.528 4.247 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.391 20.692 2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.368 21.703 3.866 1.00 0.00 H new ATOM 797 N THR A 50 4.197 23.203 6.027 1.00 0.00 N ATOM 798 CA THR A 50 4.074 24.520 6.658 1.00 0.00 C ATOM 799 C THR A 50 5.001 25.511 5.967 1.00 0.00 C ATOM 800 O THR A 50 5.756 26.246 6.605 1.00 0.00 O ATOM 801 CB THR A 50 4.356 24.441 8.212 1.00 0.00 C ATOM 802 OG1 THR A 50 5.317 23.351 8.395 1.00 0.00 O ATOM 803 CG2 THR A 50 3.101 24.245 9.063 1.00 0.00 C ATOM 0 H THR A 50 5.157 22.906 5.853 1.00 0.00 H new ATOM 0 HA THR A 50 3.048 24.871 6.542 1.00 0.00 H new ATOM 0 HB THR A 50 4.753 25.394 8.561 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.530 23.259 9.347 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.379 24.201 10.116 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.419 25.080 8.902 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.610 23.315 8.778 1.00 0.00 H new ATOM 811 N GLU A 51 5.090 25.388 4.642 1.00 0.00 N ATOM 812 CA GLU A 51 6.180 25.971 3.875 1.00 0.00 C ATOM 813 C GLU A 51 7.529 25.458 4.363 1.00 0.00 C ATOM 814 O GLU A 51 8.007 24.413 3.917 1.00 0.00 O ATOM 815 CB GLU A 51 6.069 27.492 3.954 1.00 0.00 C ATOM 816 CG GLU A 51 5.514 28.313 2.929 1.00 0.00 C ATOM 817 CD GLU A 51 6.374 28.574 1.730 1.00 0.00 C ATOM 818 OE1 GLU A 51 6.657 27.734 0.894 1.00 0.00 O ATOM 819 OE2 GLU A 51 6.684 29.782 1.625 1.00 0.00 O ATOM 0 H GLU A 51 4.408 24.882 4.076 1.00 0.00 H new ATOM 0 HA GLU A 51 6.106 25.671 2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.497 27.707 4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.081 27.861 4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.588 27.850 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.247 29.273 3.371 1.00 0.00 H new ATOM 826 N ARG A 52 8.054 26.106 5.401 1.00 0.00 N ATOM 827 CA ARG A 52 9.143 25.524 6.184 1.00 0.00 C ATOM 828 C ARG A 52 9.343 26.307 7.475 1.00 0.00 C ATOM 829 O ARG A 52 8.912 27.454 7.597 1.00 0.00 O ATOM 830 CB ARG A 52 10.452 25.485 5.387 1.00 0.00 C ATOM 831 CG ARG A 52 11.625 24.856 6.126 1.00 0.00 C ATOM 832 CD ARG A 52 12.565 24.175 5.189 1.00 0.00 C ATOM 833 NE ARG A 52 13.669 25.039 4.797 1.00 0.00 N ATOM 834 CZ ARG A 52 14.652 24.647 3.983 1.00 0.00 C ATOM 835 NH1 ARG A 52 14.583 23.500 3.314 1.00 0.00 N ATOM 836 NH2 ARG A 52 15.699 25.450 3.793 1.00 0.00 N ATOM 0 H ARG A 52 7.747 27.026 5.718 1.00 0.00 H new ATOM 0 HA ARG A 52 8.865 24.498 6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.283 24.932 4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.721 26.503 5.105 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.160 25.626 6.683 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.252 24.136 6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.959 23.276 5.662 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.022 23.856 4.300 1.00 0.00 H new ATOM 0 HE ARG A 52 13.693 25.991 5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.766 22.898 3.417 1.00 0.00 H new ATOM 0 HH12 ARG A 52 15.347 23.222 2.698 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.742 26.352 4.267 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.457 25.162 3.174 1.00 0.00 H new ATOM 850 N GLN A 53 9.857 25.615 8.488 1.00 0.00 N ATOM 851 CA GLN A 53 9.958 26.184 9.825 1.00 0.00 C ATOM 852 C GLN A 53 11.256 26.972 9.969 1.00 0.00 C ATOM 853 O GLN A 53 11.274 28.193 9.801 1.00 0.00 O ATOM 854 CB GLN A 53 9.831 25.129 10.927 1.00 0.00 C ATOM 855 CG GLN A 53 8.417 24.618 11.124 1.00 0.00 C ATOM 856 CD GLN A 53 7.618 25.450 12.097 1.00 0.00 C ATOM 857 OE1 GLN A 53 7.908 26.617 12.347 1.00 0.00 O ATOM 858 NE2 GLN A 53 6.628 24.806 12.712 1.00 0.00 N ATOM 0 H GLN A 53 10.209 24.661 8.407 1.00 0.00 H new ATOM 0 HA GLN A 53 9.115 26.864 9.950 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.482 24.288 10.688 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.189 25.552 11.866 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.905 24.603 10.162 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.455 23.589 11.481 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.423 23.836 12.471 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.074 25.283 13.424 1.00 0.00 H new ATOM 867 N ALA A 54 12.364 26.238 10.030 1.00 0.00 N ATOM 868 CA ALA A 54 13.686 26.839 9.914 1.00 0.00 C ATOM 869 C ALA A 54 13.919 27.832 11.049 1.00 0.00 C ATOM 870 O ALA A 54 14.675 28.793 10.901 1.00 0.00 O ATOM 871 CB ALA A 54 13.846 27.511 8.554 1.00 0.00 C ATOM 0 H ALA A 54 12.371 25.226 10.159 1.00 0.00 H new ATOM 0 HA ALA A 54 14.438 26.054 9.993 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.839 27.955 8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.723 26.769 7.765 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.091 28.289 8.442 1.00 0.00 H new ATOM 877 N ASN A 55 13.447 27.460 12.235 1.00 0.00 N ATOM 878 CA ASN A 55 13.786 28.186 13.452 1.00 0.00 C ATOM 879 C ASN A 55 15.177 27.787 13.937 1.00 0.00 C ATOM 880 O ASN A 55 15.709 28.422 14.859 1.00 0.00 O ATOM 881 CB ASN A 55 12.694 28.054 14.510 1.00 0.00 C ATOM 882 CG ASN A 55 12.629 26.675 15.137 1.00 0.00 C ATOM 883 OD1 ASN A 55 13.173 26.447 16.228 1.00 0.00 O ATOM 884 ND2 ASN A 55 11.969 25.744 14.449 1.00 0.00 N ATOM 885 OXT ASN A 55 15.844 26.975 13.278 1.00 0.00 O ATOM 0 H ASN A 55 12.829 26.661 12.378 1.00 0.00 H new ATOM 0 HA ASN A 55 13.832 29.252 13.231 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.865 28.793 15.292 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.730 28.286 14.058 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.895 24.795 14.816 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.538 25.980 13.555 1.00 0.00 H new TER 892 ASN A 55 HETATM 893 ZN ZN A 56 -0.079 -2.411 -1.595 1.00 0.00 ZN HETATM 894 ZN ZN A 57 2.401 22.434 0.224 1.00 0.00 ZN