USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 761 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 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= -0.017 X(o=-0.017,f=-0.0041) USER MOD Single : A 4 GLN : amide:sc= -0.232 K(o=-0.23,f=-2.4!) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc=-0.00683 X(o=-0.0068,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.0204 K(o=-0.02,f=-0.94) USER MOD Single : A 27 ASN : amide:sc= 0.821 K(o=0.82,f=-0.58) USER MOD Single : A 28 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.4!) USER MOD Single : A 31 ASN : amide:sc= -1.18 K(o=-1.2,f=-3.2!) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -3.85 K(o=-3.9,f=-7.8!) USER MOD Single : A 48 TYR OH : rot -102:sc= 0.802 USER MOD Single : A 50 MET CE :methyl -177:sc=-0.00844 (180deg=-0.0393) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -3.47 K(o=-3.5,f=-5.4!) USER MOD Single : A 65 TYR OH : rot -87:sc= -0.0718 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -171:sc= 0.26 USER MOD Single : A 77 MET CE :methyl 171:sc= -11.5! (180deg=-11.7!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0.419 K(o=0.42,f=-2.3!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 30:sc= -0.727 USER MOD Single : A 100 ASN : amide:sc= -0.341 K(o=-0.34,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.769 -2.384 16.309 1.00 0.00 N ATOM 2 CA MET A 1 -14.962 -2.682 17.481 1.00 0.00 C ATOM 3 C MET A 1 -13.550 -2.112 17.333 1.00 0.00 C ATOM 4 O MET A 1 -12.665 -2.771 16.789 1.00 0.00 O ATOM 5 CB MET A 1 -14.884 -4.197 17.676 1.00 0.00 C ATOM 6 CG MET A 1 -15.853 -4.661 18.765 1.00 0.00 C ATOM 7 SD MET A 1 -15.779 -6.436 18.933 1.00 0.00 S ATOM 8 CE MET A 1 -16.726 -6.646 20.431 1.00 0.00 C ATOM 0 H1 MET A 1 -16.722 -2.781 16.434 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.837 -1.353 16.187 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.326 -2.804 15.467 1.00 0.00 H new ATOM 0 HA MET A 1 -15.431 -2.219 18.349 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.118 -4.700 16.738 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.866 -4.481 17.945 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.601 -4.187 19.714 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.868 -4.353 18.515 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.779 -7.705 20.682 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.244 -6.104 21.245 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.733 -6.257 20.282 1.00 0.00 H new ATOM 18 N GLN A 2 -13.383 -0.894 17.827 1.00 0.00 N ATOM 19 CA GLN A 2 -12.093 -0.228 17.757 1.00 0.00 C ATOM 20 C GLN A 2 -11.540 -0.291 16.332 1.00 0.00 C ATOM 21 O GLN A 2 -10.614 -1.051 16.055 1.00 0.00 O ATOM 22 CB GLN A 2 -11.107 -0.837 18.755 1.00 0.00 C ATOM 23 CG GLN A 2 -11.491 -0.482 20.193 1.00 0.00 C ATOM 24 CD GLN A 2 -11.791 -1.742 21.008 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.755 -2.451 20.771 1.00 0.00 O ATOM 26 NE2 GLN A 2 -10.913 -1.980 21.978 1.00 0.00 N ATOM 0 H GLN A 2 -14.120 -0.351 18.277 1.00 0.00 H new ATOM 0 HA GLN A 2 -12.231 0.819 18.026 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -11.088 -1.920 18.637 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -10.101 -0.475 18.544 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -10.680 0.075 20.663 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -12.365 0.170 20.189 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.128 -1.345 22.122 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.025 -2.797 22.578 1.00 0.00 H new ATOM 35 N GLU A 3 -12.132 0.518 15.465 1.00 0.00 N ATOM 36 CA GLU A 3 -11.710 0.564 14.076 1.00 0.00 C ATOM 37 C GLU A 3 -11.866 1.981 13.520 1.00 0.00 C ATOM 38 O GLU A 3 -12.755 2.721 13.938 1.00 0.00 O ATOM 39 CB GLU A 3 -12.492 -0.445 13.232 1.00 0.00 C ATOM 40 CG GLU A 3 -11.548 -1.439 12.552 1.00 0.00 C ATOM 41 CD GLU A 3 -12.281 -2.242 11.475 1.00 0.00 C ATOM 42 OE1 GLU A 3 -13.001 -1.600 10.680 1.00 0.00 O ATOM 43 OE2 GLU A 3 -12.105 -3.479 11.471 1.00 0.00 O ATOM 0 H GLU A 3 -12.901 1.147 15.698 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.656 0.290 14.028 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.199 -0.983 13.864 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.076 0.082 12.477 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.711 -0.903 12.105 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.131 -2.118 13.296 1.00 0.00 H new ATOM 50 N GLN A 4 -10.987 2.316 12.587 1.00 0.00 N ATOM 51 CA GLN A 4 -11.016 3.631 11.970 1.00 0.00 C ATOM 52 C GLN A 4 -11.609 3.544 10.562 1.00 0.00 C ATOM 53 O GLN A 4 -10.877 3.389 9.585 1.00 0.00 O ATOM 54 CB GLN A 4 -9.618 4.253 11.939 1.00 0.00 C ATOM 55 CG GLN A 4 -9.604 5.606 12.653 1.00 0.00 C ATOM 56 CD GLN A 4 -9.738 6.756 11.652 1.00 0.00 C ATOM 57 OE1 GLN A 4 -9.810 6.561 10.450 1.00 0.00 O ATOM 58 NE2 GLN A 4 -9.768 7.961 12.213 1.00 0.00 N ATOM 0 H GLN A 4 -10.250 1.700 12.243 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.653 4.279 12.572 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.906 3.579 12.415 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.295 4.380 10.906 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.421 5.649 13.374 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.677 5.715 13.215 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.703 8.053 13.227 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.856 8.793 11.630 1.00 0.00 H new ATOM 67 N ALA A 5 -12.928 3.648 10.503 1.00 0.00 N ATOM 68 CA ALA A 5 -13.627 3.583 9.230 1.00 0.00 C ATOM 69 C ALA A 5 -13.351 4.860 8.435 1.00 0.00 C ATOM 70 O ALA A 5 -13.844 5.932 8.784 1.00 0.00 O ATOM 71 CB ALA A 5 -15.121 3.363 9.479 1.00 0.00 C ATOM 0 H ALA A 5 -13.531 3.777 11.315 1.00 0.00 H new ATOM 0 HA ALA A 5 -13.267 2.742 8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.646 3.314 8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -15.266 2.428 10.021 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -15.517 4.190 10.069 1.00 0.00 H new ATOM 77 N GLN A 6 -12.563 4.705 7.382 1.00 0.00 N ATOM 78 CA GLN A 6 -12.215 5.832 6.534 1.00 0.00 C ATOM 79 C GLN A 6 -11.442 5.353 5.304 1.00 0.00 C ATOM 80 O GLN A 6 -10.467 4.614 5.428 1.00 0.00 O ATOM 81 CB GLN A 6 -11.412 6.877 7.313 1.00 0.00 C ATOM 82 CG GLN A 6 -11.423 8.226 6.592 1.00 0.00 C ATOM 83 CD GLN A 6 -11.990 9.325 7.494 1.00 0.00 C ATOM 84 OE1 GLN A 6 -13.188 9.533 7.584 1.00 0.00 O ATOM 85 NE2 GLN A 6 -11.063 10.014 8.153 1.00 0.00 N ATOM 0 H GLN A 6 -12.155 3.815 7.096 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.137 6.306 6.197 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.831 6.992 8.313 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.385 6.534 7.435 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.410 8.488 6.287 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.020 8.152 5.683 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.076 9.787 8.031 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.339 10.769 8.780 1.00 0.00 H new ATOM 94 N GLN A 7 -11.906 5.794 4.144 1.00 0.00 N ATOM 95 CA GLN A 7 -11.271 5.420 2.892 1.00 0.00 C ATOM 96 C GLN A 7 -10.787 6.666 2.148 1.00 0.00 C ATOM 97 O GLN A 7 -11.587 7.389 1.556 1.00 0.00 O ATOM 98 CB GLN A 7 -12.220 4.595 2.021 1.00 0.00 C ATOM 99 CG GLN A 7 -11.479 3.981 0.831 1.00 0.00 C ATOM 100 CD GLN A 7 -12.426 3.759 -0.350 1.00 0.00 C ATOM 101 OE1 GLN A 7 -12.908 4.689 -0.975 1.00 0.00 O ATOM 102 NE2 GLN A 7 -12.664 2.479 -0.619 1.00 0.00 N ATOM 0 H GLN A 7 -12.715 6.407 4.045 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.405 4.798 3.119 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.673 3.804 2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -13.032 5.228 1.661 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.663 4.637 0.529 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.032 3.032 1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.227 1.750 -0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.283 2.226 -1.389 1.00 0.00 H new ATOM 111 N PHE A 8 -9.481 6.880 2.203 1.00 0.00 N ATOM 112 CA PHE A 8 -8.881 8.026 1.542 1.00 0.00 C ATOM 113 C PHE A 8 -8.830 7.821 0.027 1.00 0.00 C ATOM 114 O PHE A 8 -8.947 6.695 -0.455 1.00 0.00 O ATOM 115 CB PHE A 8 -7.453 8.154 2.076 1.00 0.00 C ATOM 116 CG PHE A 8 -6.494 8.870 1.122 1.00 0.00 C ATOM 117 CD1 PHE A 8 -6.603 10.212 0.930 1.00 0.00 C ATOM 118 CD2 PHE A 8 -5.534 8.165 0.467 1.00 0.00 C ATOM 119 CE1 PHE A 8 -5.713 10.877 0.045 1.00 0.00 C ATOM 120 CE2 PHE A 8 -4.644 8.830 -0.418 1.00 0.00 C ATOM 121 CZ PHE A 8 -4.753 10.172 -0.610 1.00 0.00 C ATOM 0 H PHE A 8 -8.821 6.278 2.696 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.471 8.921 1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.477 8.693 3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.064 7.158 2.286 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.366 10.772 1.450 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.448 7.099 0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.799 11.943 -0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.881 8.270 -0.938 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.077 10.678 -1.283 1.00 0.00 H new ATOM 131 N ILE A 9 -8.656 8.926 -0.683 1.00 0.00 N ATOM 132 CA ILE A 9 -8.589 8.881 -2.133 1.00 0.00 C ATOM 133 C ILE A 9 -7.192 8.427 -2.561 1.00 0.00 C ATOM 134 O ILE A 9 -6.220 9.166 -2.405 1.00 0.00 O ATOM 135 CB ILE A 9 -9.008 10.226 -2.731 1.00 0.00 C ATOM 136 CG1 ILE A 9 -10.274 10.756 -2.054 1.00 0.00 C ATOM 137 CG2 ILE A 9 -9.170 10.125 -4.249 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.495 9.920 -2.442 1.00 0.00 C ATOM 0 H ILE A 9 -8.559 9.858 -0.280 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.296 8.150 -2.524 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.213 10.947 -2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.146 10.739 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.435 11.796 -2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.468 11.094 -4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.223 9.824 -4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.935 9.385 -4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.381 10.318 -1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.634 9.959 -3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.341 8.886 -2.133 1.00 0.00 H new ATOM 150 N PHE A 10 -7.135 7.214 -3.091 1.00 0.00 N ATOM 151 CA PHE A 10 -5.872 6.653 -3.542 1.00 0.00 C ATOM 152 C PHE A 10 -6.103 5.520 -4.544 1.00 0.00 C ATOM 153 O PHE A 10 -6.959 4.663 -4.331 1.00 0.00 O ATOM 154 CB PHE A 10 -5.167 6.090 -2.306 1.00 0.00 C ATOM 155 CG PHE A 10 -3.680 5.798 -2.518 1.00 0.00 C ATOM 156 CD1 PHE A 10 -2.813 6.819 -2.755 1.00 0.00 C ATOM 157 CD2 PHE A 10 -3.225 4.517 -2.469 1.00 0.00 C ATOM 158 CE1 PHE A 10 -1.433 6.548 -2.952 1.00 0.00 C ATOM 159 CE2 PHE A 10 -1.845 4.246 -2.666 1.00 0.00 C ATOM 160 CZ PHE A 10 -0.978 5.267 -2.903 1.00 0.00 C ATOM 0 H PHE A 10 -7.943 6.604 -3.218 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.277 7.422 -4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.274 6.798 -1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.668 5.171 -2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.174 7.836 -2.793 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.913 3.706 -2.280 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.745 7.359 -3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.484 3.229 -2.628 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.072 5.061 -3.052 1.00 0.00 H new ATOM 170 N LYS A 11 -5.324 5.553 -5.615 1.00 0.00 N ATOM 171 CA LYS A 11 -5.432 4.540 -6.650 1.00 0.00 C ATOM 172 C LYS A 11 -4.030 4.110 -7.086 1.00 0.00 C ATOM 173 O LYS A 11 -3.301 4.888 -7.700 1.00 0.00 O ATOM 174 CB LYS A 11 -6.307 5.041 -7.801 1.00 0.00 C ATOM 175 CG LYS A 11 -7.715 5.386 -7.310 1.00 0.00 C ATOM 176 CD LYS A 11 -8.599 4.139 -7.258 1.00 0.00 C ATOM 177 CE LYS A 11 -9.905 4.423 -6.514 1.00 0.00 C ATOM 178 NZ LYS A 11 -10.890 3.347 -6.766 1.00 0.00 N ATOM 0 H LYS A 11 -4.615 6.266 -5.788 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.932 3.652 -6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.850 5.921 -8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.365 4.278 -8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.658 5.837 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.164 6.127 -7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.819 3.803 -8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.063 3.329 -6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.711 4.503 -5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.313 5.381 -6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.771 3.556 -6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.088 3.289 -7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.504 2.439 -6.436 1.00 0.00 H new ATOM 192 N VAL A 12 -3.695 2.873 -6.752 1.00 0.00 N ATOM 193 CA VAL A 12 -2.393 2.330 -7.101 1.00 0.00 C ATOM 194 C VAL A 12 -2.561 1.282 -8.203 1.00 0.00 C ATOM 195 O VAL A 12 -3.482 0.468 -8.155 1.00 0.00 O ATOM 196 CB VAL A 12 -1.703 1.778 -5.851 1.00 0.00 C ATOM 197 CG1 VAL A 12 -2.024 0.295 -5.658 1.00 0.00 C ATOM 198 CG2 VAL A 12 -0.192 2.010 -5.912 1.00 0.00 C ATOM 0 H VAL A 12 -4.303 2.231 -6.243 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.745 3.114 -7.494 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.090 2.319 -4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.522 -0.073 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.101 0.167 -5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.679 -0.268 -6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.274 1.609 -5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.218 1.508 -6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.010 3.079 -5.979 1.00 0.00 H new ATOM 208 N THR A 13 -1.656 1.336 -9.170 1.00 0.00 N ATOM 209 CA THR A 13 -1.692 0.401 -10.282 1.00 0.00 C ATOM 210 C THR A 13 -1.612 -1.039 -9.771 1.00 0.00 C ATOM 211 O THR A 13 -1.326 -1.270 -8.597 1.00 0.00 O ATOM 212 CB THR A 13 -0.562 0.769 -11.245 1.00 0.00 C ATOM 213 OG1 THR A 13 0.501 1.184 -10.391 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.881 2.014 -12.075 1.00 0.00 C ATOM 0 H THR A 13 -0.894 2.013 -9.206 1.00 0.00 H new ATOM 0 HA THR A 13 -2.635 0.467 -10.825 1.00 0.00 H new ATOM 0 HB THR A 13 -0.366 -0.071 -11.912 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.276 1.439 -10.934 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.046 2.231 -12.741 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.780 1.837 -12.665 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.044 2.862 -11.410 1.00 0.00 H new ATOM 222 N ASP A 14 -1.868 -1.969 -10.678 1.00 0.00 N ATOM 223 CA ASP A 14 -1.829 -3.381 -10.334 1.00 0.00 C ATOM 224 C ASP A 14 -0.384 -3.788 -10.036 1.00 0.00 C ATOM 225 O ASP A 14 -0.142 -4.681 -9.226 1.00 0.00 O ATOM 226 CB ASP A 14 -2.334 -4.244 -11.492 1.00 0.00 C ATOM 227 CG ASP A 14 -3.851 -4.236 -11.690 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.517 -5.042 -11.006 1.00 0.00 O ATOM 229 OD2 ASP A 14 -4.310 -3.423 -12.522 1.00 0.00 O ATOM 0 H ASP A 14 -2.103 -1.773 -11.651 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.468 -3.535 -9.465 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.861 -3.903 -12.413 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.009 -5.272 -11.328 1.00 0.00 H new ATOM 234 N LYS A 15 0.538 -3.113 -10.707 1.00 0.00 N ATOM 235 CA LYS A 15 1.952 -3.393 -10.524 1.00 0.00 C ATOM 236 C LYS A 15 2.346 -3.082 -9.079 1.00 0.00 C ATOM 237 O LYS A 15 3.037 -3.871 -8.437 1.00 0.00 O ATOM 238 CB LYS A 15 2.786 -2.643 -11.565 1.00 0.00 C ATOM 239 CG LYS A 15 3.836 -3.562 -12.192 1.00 0.00 C ATOM 240 CD LYS A 15 3.175 -4.721 -12.939 1.00 0.00 C ATOM 241 CE LYS A 15 3.791 -4.902 -14.327 1.00 0.00 C ATOM 242 NZ LYS A 15 2.789 -4.623 -15.380 1.00 0.00 N ATOM 0 H LYS A 15 0.333 -2.373 -11.378 1.00 0.00 H new ATOM 0 HA LYS A 15 2.156 -4.451 -10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.133 -2.247 -12.343 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.277 -1.790 -11.097 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.460 -2.991 -12.879 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.493 -3.953 -11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.288 -5.640 -12.364 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.105 -4.534 -13.034 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.644 -4.234 -14.443 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.166 -5.920 -14.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.224 -4.751 -16.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.987 -5.278 -15.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.450 -3.644 -15.286 1.00 0.00 H new ATOM 256 N ALA A 16 1.890 -1.930 -8.610 1.00 0.00 N ATOM 257 CA ALA A 16 2.187 -1.504 -7.253 1.00 0.00 C ATOM 258 C ALA A 16 1.601 -2.517 -6.266 1.00 0.00 C ATOM 259 O ALA A 16 2.305 -3.008 -5.385 1.00 0.00 O ATOM 260 CB ALA A 16 1.643 -0.092 -7.030 1.00 0.00 C ATOM 0 H ALA A 16 1.317 -1.278 -9.146 1.00 0.00 H new ATOM 0 HA ALA A 16 3.264 -1.468 -7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.866 0.227 -6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.111 0.594 -7.736 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.564 -0.090 -7.183 1.00 0.00 H new ATOM 266 N VAL A 17 0.319 -2.798 -6.447 1.00 0.00 N ATOM 267 CA VAL A 17 -0.369 -3.743 -5.584 1.00 0.00 C ATOM 268 C VAL A 17 0.299 -5.114 -5.702 1.00 0.00 C ATOM 269 O VAL A 17 0.717 -5.693 -4.700 1.00 0.00 O ATOM 270 CB VAL A 17 -1.860 -3.773 -5.925 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.407 -5.201 -5.867 1.00 0.00 C ATOM 272 CG2 VAL A 17 -2.652 -2.844 -5.002 1.00 0.00 C ATOM 0 H VAL A 17 -0.261 -2.388 -7.179 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.294 -3.433 -4.542 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.978 -3.411 -6.946 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.469 -5.194 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.872 -5.825 -6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.270 -5.603 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.709 -2.884 -5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.524 -3.163 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.288 -1.823 -5.115 1.00 0.00 H new ATOM 282 N GLU A 18 0.379 -5.595 -6.934 1.00 0.00 N ATOM 283 CA GLU A 18 0.989 -6.887 -7.195 1.00 0.00 C ATOM 284 C GLU A 18 2.373 -6.961 -6.549 1.00 0.00 C ATOM 285 O GLU A 18 2.850 -8.045 -6.217 1.00 0.00 O ATOM 286 CB GLU A 18 1.070 -7.161 -8.698 1.00 0.00 C ATOM 287 CG GLU A 18 1.620 -8.563 -8.971 1.00 0.00 C ATOM 288 CD GLU A 18 2.722 -8.522 -10.032 1.00 0.00 C ATOM 289 OE1 GLU A 18 3.490 -7.536 -10.015 1.00 0.00 O ATOM 290 OE2 GLU A 18 2.771 -9.478 -10.836 1.00 0.00 O ATOM 0 H GLU A 18 0.031 -5.113 -7.763 1.00 0.00 H new ATOM 0 HA GLU A 18 0.361 -7.660 -6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.080 -7.062 -9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.709 -6.417 -9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.014 -8.989 -8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.813 -9.216 -9.304 1.00 0.00 H new ATOM 297 N GLU A 19 2.980 -5.794 -6.390 1.00 0.00 N ATOM 298 CA GLU A 19 4.301 -5.713 -5.789 1.00 0.00 C ATOM 299 C GLU A 19 4.279 -6.303 -4.378 1.00 0.00 C ATOM 300 O GLU A 19 5.233 -6.958 -3.960 1.00 0.00 O ATOM 301 CB GLU A 19 4.807 -4.269 -5.772 1.00 0.00 C ATOM 302 CG GLU A 19 6.332 -4.225 -5.650 1.00 0.00 C ATOM 303 CD GLU A 19 6.995 -5.043 -6.760 1.00 0.00 C ATOM 304 OE1 GLU A 19 6.717 -4.731 -7.938 1.00 0.00 O ATOM 305 OE2 GLU A 19 7.766 -5.961 -6.405 1.00 0.00 O ATOM 0 H GLU A 19 2.582 -4.897 -6.667 1.00 0.00 H new ATOM 0 HA GLU A 19 4.992 -6.299 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.497 -3.760 -6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.356 -3.731 -4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.675 -3.192 -5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.634 -4.613 -4.677 1.00 0.00 H new ATOM 312 N ILE A 20 3.180 -6.050 -3.682 1.00 0.00 N ATOM 313 CA ILE A 20 3.022 -6.548 -2.326 1.00 0.00 C ATOM 314 C ILE A 20 2.745 -8.052 -2.369 1.00 0.00 C ATOM 315 O ILE A 20 3.195 -8.795 -1.498 1.00 0.00 O ATOM 316 CB ILE A 20 1.952 -5.747 -1.582 1.00 0.00 C ATOM 317 CG1 ILE A 20 2.400 -4.300 -1.368 1.00 0.00 C ATOM 318 CG2 ILE A 20 1.570 -6.430 -0.268 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.438 -3.535 -2.692 1.00 0.00 C ATOM 0 H ILE A 20 2.391 -5.507 -4.032 1.00 0.00 H new ATOM 0 HA ILE A 20 3.943 -6.409 -1.759 1.00 0.00 H new ATOM 0 HB ILE A 20 1.055 -5.718 -2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.719 -3.803 -0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.388 -4.286 -0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.808 -5.840 0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.179 -7.426 -0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.451 -6.512 0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.760 -2.509 -2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.138 -4.020 -3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.443 -3.530 -3.138 1.00 0.00 H new ATOM 331 N LYS A 21 2.006 -8.457 -3.392 1.00 0.00 N ATOM 332 CA LYS A 21 1.664 -9.859 -3.560 1.00 0.00 C ATOM 333 C LYS A 21 2.949 -10.685 -3.657 1.00 0.00 C ATOM 334 O LYS A 21 3.058 -11.743 -3.040 1.00 0.00 O ATOM 335 CB LYS A 21 0.724 -10.042 -4.753 1.00 0.00 C ATOM 336 CG LYS A 21 -0.696 -9.588 -4.407 1.00 0.00 C ATOM 337 CD LYS A 21 -1.635 -9.767 -5.602 1.00 0.00 C ATOM 338 CE LYS A 21 -2.167 -8.418 -6.087 1.00 0.00 C ATOM 339 NZ LYS A 21 -2.356 -8.434 -7.555 1.00 0.00 N ATOM 0 H LYS A 21 1.635 -7.838 -4.113 1.00 0.00 H new ATOM 0 HA LYS A 21 1.115 -10.224 -2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.095 -9.471 -5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.712 -11.090 -5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.068 -10.162 -3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.683 -8.541 -4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.106 -10.266 -6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.468 -10.411 -5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.114 -8.195 -5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.471 -7.626 -5.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.718 -7.511 -7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.446 -8.625 -8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.038 -9.177 -7.809 1.00 0.00 H new ATOM 353 N LYS A 22 3.888 -10.169 -4.436 1.00 0.00 N ATOM 354 CA LYS A 22 5.161 -10.846 -4.621 1.00 0.00 C ATOM 355 C LYS A 22 5.995 -10.712 -3.346 1.00 0.00 C ATOM 356 O LYS A 22 6.529 -11.700 -2.843 1.00 0.00 O ATOM 357 CB LYS A 22 5.866 -10.326 -5.875 1.00 0.00 C ATOM 358 CG LYS A 22 6.368 -11.482 -6.742 1.00 0.00 C ATOM 359 CD LYS A 22 7.498 -11.025 -7.666 1.00 0.00 C ATOM 360 CE LYS A 22 6.943 -10.488 -8.987 1.00 0.00 C ATOM 361 NZ LYS A 22 7.654 -11.097 -10.133 1.00 0.00 N ATOM 0 H LYS A 22 3.793 -9.291 -4.946 1.00 0.00 H new ATOM 0 HA LYS A 22 5.005 -11.912 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.180 -9.706 -6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.704 -9.691 -5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.720 -12.293 -6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.545 -11.879 -7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.085 -10.251 -7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.172 -11.859 -7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.877 -10.705 -9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.050 -9.404 -9.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.265 -10.722 -11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.667 -10.868 -10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.530 -12.129 -10.109 1.00 0.00 H new ATOM 375 N VAL A 23 6.081 -9.483 -2.859 1.00 0.00 N ATOM 376 CA VAL A 23 6.842 -9.208 -1.652 1.00 0.00 C ATOM 377 C VAL A 23 6.308 -10.075 -0.510 1.00 0.00 C ATOM 378 O VAL A 23 7.082 -10.601 0.288 1.00 0.00 O ATOM 379 CB VAL A 23 6.799 -7.711 -1.337 1.00 0.00 C ATOM 380 CG1 VAL A 23 6.993 -7.461 0.160 1.00 0.00 C ATOM 381 CG2 VAL A 23 7.839 -6.948 -2.159 1.00 0.00 C ATOM 0 H VAL A 23 5.636 -8.666 -3.278 1.00 0.00 H new ATOM 0 HA VAL A 23 7.891 -9.467 -1.794 1.00 0.00 H new ATOM 0 HB VAL A 23 5.813 -7.338 -1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.958 -6.390 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.200 -7.959 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.959 -7.856 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.787 -5.887 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.835 -7.325 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.637 -7.087 -3.221 1.00 0.00 H new ATOM 391 N ALA A 24 4.990 -10.196 -0.467 1.00 0.00 N ATOM 392 CA ALA A 24 4.344 -10.990 0.564 1.00 0.00 C ATOM 393 C ALA A 24 4.571 -12.475 0.275 1.00 0.00 C ATOM 394 O ALA A 24 4.802 -13.261 1.193 1.00 0.00 O ATOM 395 CB ALA A 24 2.858 -10.630 0.631 1.00 0.00 C ATOM 0 H ALA A 24 4.351 -9.757 -1.130 1.00 0.00 H new ATOM 0 HA ALA A 24 4.776 -10.774 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.374 -11.226 1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.750 -9.571 0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.390 -10.836 -0.332 1.00 0.00 H new ATOM 401 N GLN A 25 4.497 -12.815 -1.003 1.00 0.00 N ATOM 402 CA GLN A 25 4.692 -14.192 -1.424 1.00 0.00 C ATOM 403 C GLN A 25 6.057 -14.702 -0.957 1.00 0.00 C ATOM 404 O GLN A 25 6.183 -15.851 -0.536 1.00 0.00 O ATOM 405 CB GLN A 25 4.546 -14.327 -2.941 1.00 0.00 C ATOM 406 CG GLN A 25 3.264 -15.079 -3.304 1.00 0.00 C ATOM 407 CD GLN A 25 3.297 -15.551 -4.759 1.00 0.00 C ATOM 408 OE1 GLN A 25 4.327 -15.929 -5.292 1.00 0.00 O ATOM 409 NE2 GLN A 25 2.116 -15.507 -5.369 1.00 0.00 N ATOM 0 H GLN A 25 4.305 -12.160 -1.761 1.00 0.00 H new ATOM 0 HA GLN A 25 3.919 -14.806 -0.961 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.533 -13.338 -3.398 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.409 -14.855 -3.347 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.142 -15.937 -2.643 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.402 -14.431 -3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.293 -15.180 -4.864 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.033 -15.801 -6.342 1.00 0.00 H new ATOM 418 N GLU A 26 7.044 -13.822 -1.047 1.00 0.00 N ATOM 419 CA GLU A 26 8.394 -14.169 -0.639 1.00 0.00 C ATOM 420 C GLU A 26 8.503 -14.173 0.887 1.00 0.00 C ATOM 421 O GLU A 26 9.546 -14.524 1.438 1.00 0.00 O ATOM 422 CB GLU A 26 9.417 -13.215 -1.259 1.00 0.00 C ATOM 423 CG GLU A 26 10.564 -13.988 -1.912 1.00 0.00 C ATOM 424 CD GLU A 26 11.899 -13.273 -1.698 1.00 0.00 C ATOM 425 OE1 GLU A 26 12.081 -12.730 -0.587 1.00 0.00 O ATOM 426 OE2 GLU A 26 12.709 -13.286 -2.651 1.00 0.00 O ATOM 0 H GLU A 26 6.935 -12.870 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 26 8.615 -15.173 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.928 -12.586 -2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.813 -12.551 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.615 -14.993 -1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.373 -14.097 -2.980 1.00 0.00 H new ATOM 433 N ASN A 27 7.413 -13.778 1.527 1.00 0.00 N ATOM 434 CA ASN A 27 7.372 -13.731 2.979 1.00 0.00 C ATOM 435 C ASN A 27 6.318 -14.717 3.488 1.00 0.00 C ATOM 436 O ASN A 27 6.047 -14.778 4.686 1.00 0.00 O ATOM 437 CB ASN A 27 6.992 -12.335 3.475 1.00 0.00 C ATOM 438 CG ASN A 27 8.210 -11.409 3.494 1.00 0.00 C ATOM 439 OD1 ASN A 27 9.143 -11.583 4.262 1.00 0.00 O ATOM 440 ND2 ASN A 27 8.151 -10.419 2.608 1.00 0.00 N ATOM 0 H ASN A 27 6.550 -13.487 1.067 1.00 0.00 H new ATOM 0 HA ASN A 27 8.363 -13.989 3.352 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.221 -11.914 2.830 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.568 -12.404 4.477 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.916 -9.748 2.542 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.341 -10.331 1.995 1.00 0.00 H new ATOM 447 N ASN A 28 5.753 -15.465 2.551 1.00 0.00 N ATOM 448 CA ASN A 28 4.735 -16.444 2.890 1.00 0.00 C ATOM 449 C ASN A 28 3.611 -15.758 3.669 1.00 0.00 C ATOM 450 O ASN A 28 3.021 -16.354 4.569 1.00 0.00 O ATOM 451 CB ASN A 28 5.310 -17.555 3.770 1.00 0.00 C ATOM 452 CG ASN A 28 4.648 -18.899 3.460 1.00 0.00 C ATOM 453 OD1 ASN A 28 4.245 -19.179 2.343 1.00 0.00 O ATOM 454 ND2 ASN A 28 4.557 -19.712 4.508 1.00 0.00 N ATOM 0 H ASN A 28 5.981 -15.412 1.558 1.00 0.00 H new ATOM 0 HA ASN A 28 4.362 -16.876 1.961 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.386 -17.630 3.610 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.160 -17.306 4.821 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.130 -20.632 4.404 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.915 -19.415 5.416 1.00 0.00 H new ATOM 461 N ILE A 29 3.350 -14.514 3.296 1.00 0.00 N ATOM 462 CA ILE A 29 2.308 -13.739 3.949 1.00 0.00 C ATOM 463 C ILE A 29 1.041 -13.774 3.093 1.00 0.00 C ATOM 464 O ILE A 29 1.115 -13.730 1.866 1.00 0.00 O ATOM 465 CB ILE A 29 2.804 -12.325 4.256 1.00 0.00 C ATOM 466 CG1 ILE A 29 3.882 -12.346 5.342 1.00 0.00 C ATOM 467 CG2 ILE A 29 1.640 -11.403 4.623 1.00 0.00 C ATOM 468 CD1 ILE A 29 4.462 -10.948 5.566 1.00 0.00 C ATOM 0 H ILE A 29 3.842 -14.023 2.550 1.00 0.00 H new ATOM 0 HA ILE A 29 2.054 -14.179 4.914 1.00 0.00 H new ATOM 0 HB ILE A 29 3.263 -11.921 3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.458 -12.721 6.273 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.679 -13.033 5.055 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.020 -10.404 4.837 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.938 -11.354 3.790 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.131 -11.793 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.226 -10.991 6.343 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.907 -10.586 4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.667 -10.270 5.876 1.00 0.00 H new ATOM 480 N GLU A 30 -0.093 -13.852 3.774 1.00 0.00 N ATOM 481 CA GLU A 30 -1.375 -13.893 3.091 1.00 0.00 C ATOM 482 C GLU A 30 -2.229 -12.688 3.491 1.00 0.00 C ATOM 483 O GLU A 30 -3.396 -12.597 3.115 1.00 0.00 O ATOM 484 CB GLU A 30 -2.108 -15.204 3.379 1.00 0.00 C ATOM 485 CG GLU A 30 -2.392 -15.970 2.085 1.00 0.00 C ATOM 486 CD GLU A 30 -2.666 -17.447 2.371 1.00 0.00 C ATOM 487 OE1 GLU A 30 -1.761 -18.092 2.942 1.00 0.00 O ATOM 488 OE2 GLU A 30 -3.775 -17.899 2.011 1.00 0.00 O ATOM 0 H GLU A 30 -0.151 -13.888 4.792 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.194 -13.845 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.507 -15.821 4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.045 -14.995 3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.250 -15.529 1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.541 -15.878 1.410 1.00 0.00 H new ATOM 495 N ASN A 31 -1.613 -11.793 4.249 1.00 0.00 N ATOM 496 CA ASN A 31 -2.301 -10.597 4.705 1.00 0.00 C ATOM 497 C ASN A 31 -1.284 -9.472 4.903 1.00 0.00 C ATOM 498 O ASN A 31 -1.053 -9.029 6.027 1.00 0.00 O ATOM 499 CB ASN A 31 -3.002 -10.841 6.043 1.00 0.00 C ATOM 500 CG ASN A 31 -4.417 -11.382 5.831 1.00 0.00 C ATOM 501 OD1 ASN A 31 -4.910 -11.484 4.719 1.00 0.00 O ATOM 502 ND2 ASN A 31 -5.041 -11.722 6.955 1.00 0.00 N ATOM 0 H ASN A 31 -0.644 -11.872 4.559 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.042 -10.328 3.953 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.424 -11.549 6.637 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.046 -9.911 6.609 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.990 -12.094 6.919 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.570 -11.611 7.853 1.00 0.00 H new ATOM 509 N PRO A 32 -0.687 -9.030 3.763 1.00 0.00 N ATOM 510 CA PRO A 32 0.300 -7.965 3.800 1.00 0.00 C ATOM 511 C PRO A 32 -0.367 -6.605 4.019 1.00 0.00 C ATOM 512 O PRO A 32 -1.568 -6.457 3.799 1.00 0.00 O ATOM 513 CB PRO A 32 1.032 -8.060 2.472 1.00 0.00 C ATOM 514 CG PRO A 32 0.128 -8.867 1.555 1.00 0.00 C ATOM 515 CD PRO A 32 -0.935 -9.531 2.415 1.00 0.00 C ATOM 0 HA PRO A 32 0.997 -8.067 4.632 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.223 -7.069 2.059 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.000 -8.547 2.593 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.334 -8.221 0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.705 -9.617 1.014 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.938 -9.273 2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.855 -10.617 2.375 1.00 0.00 H new ATOM 523 N ILE A 33 0.440 -5.647 4.449 1.00 0.00 N ATOM 524 CA ILE A 33 -0.057 -4.305 4.700 1.00 0.00 C ATOM 525 C ILE A 33 0.937 -3.285 4.141 1.00 0.00 C ATOM 526 O ILE A 33 2.065 -3.184 4.623 1.00 0.00 O ATOM 527 CB ILE A 33 -0.363 -4.116 6.187 1.00 0.00 C ATOM 528 CG1 ILE A 33 -1.472 -5.065 6.644 1.00 0.00 C ATOM 529 CG2 ILE A 33 -0.695 -2.655 6.497 1.00 0.00 C ATOM 530 CD1 ILE A 33 -1.470 -5.219 8.166 1.00 0.00 C ATOM 0 H ILE A 33 1.436 -5.773 4.630 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.003 -4.146 4.182 1.00 0.00 H new ATOM 0 HB ILE A 33 0.532 -4.370 6.755 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.439 -4.685 6.315 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.337 -6.040 6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.909 -2.548 7.561 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.154 -2.025 6.232 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.567 -2.350 5.919 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.268 -5.899 8.464 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.510 -5.622 8.490 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.630 -4.246 8.630 1.00 0.00 H new ATOM 542 N LEU A 34 0.483 -2.554 3.134 1.00 0.00 N ATOM 543 CA LEU A 34 1.319 -1.545 2.505 1.00 0.00 C ATOM 544 C LEU A 34 1.078 -0.195 3.184 1.00 0.00 C ATOM 545 O LEU A 34 -0.067 0.219 3.361 1.00 0.00 O ATOM 546 CB LEU A 34 1.087 -1.524 0.993 1.00 0.00 C ATOM 547 CG LEU A 34 2.232 -0.965 0.147 1.00 0.00 C ATOM 548 CD1 LEU A 34 3.380 -1.972 0.045 1.00 0.00 C ATOM 549 CD2 LEU A 34 1.732 -0.525 -1.231 1.00 0.00 C ATOM 0 H LEU A 34 -0.453 -2.640 2.738 1.00 0.00 H new ATOM 0 HA LEU A 34 2.374 -1.786 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.881 -2.542 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.192 -0.936 0.791 1.00 0.00 H new ATOM 0 HG LEU A 34 2.624 -0.078 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.181 -1.550 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.759 -2.194 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.019 -2.890 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.566 -0.132 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.299 -1.380 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.975 0.250 -1.113 1.00 0.00 H new ATOM 561 N ARG A 35 2.175 0.454 3.544 1.00 0.00 N ATOM 562 CA ARG A 35 2.098 1.749 4.199 1.00 0.00 C ATOM 563 C ARG A 35 2.817 2.810 3.364 1.00 0.00 C ATOM 564 O ARG A 35 3.881 2.549 2.805 1.00 0.00 O ATOM 565 CB ARG A 35 2.723 1.698 5.595 1.00 0.00 C ATOM 566 CG ARG A 35 2.763 3.090 6.228 1.00 0.00 C ATOM 567 CD ARG A 35 4.082 3.799 5.912 1.00 0.00 C ATOM 568 NE ARG A 35 5.048 3.584 7.012 1.00 0.00 N ATOM 569 CZ ARG A 35 6.006 2.647 6.998 1.00 0.00 C ATOM 570 NH1 ARG A 35 6.132 1.833 5.941 1.00 0.00 N ATOM 571 NH2 ARG A 35 6.839 2.524 8.041 1.00 0.00 N ATOM 0 H ARG A 35 3.123 0.107 3.395 1.00 0.00 H new ATOM 0 HA ARG A 35 1.044 2.010 4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.150 1.022 6.230 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.734 1.295 5.531 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.928 3.686 5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.641 3.006 7.308 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.493 3.420 4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.907 4.866 5.774 1.00 0.00 H new ATOM 0 HE ARG A 35 4.981 4.187 7.832 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.499 1.927 5.147 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.861 1.120 5.931 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.744 3.144 8.846 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.568 1.811 8.030 1.00 0.00 H new ATOM 585 N ILE A 36 2.207 3.985 3.306 1.00 0.00 N ATOM 586 CA ILE A 36 2.776 5.086 2.548 1.00 0.00 C ATOM 587 C ILE A 36 3.649 5.938 3.472 1.00 0.00 C ATOM 588 O ILE A 36 3.141 6.604 4.372 1.00 0.00 O ATOM 589 CB ILE A 36 1.673 5.878 1.843 1.00 0.00 C ATOM 590 CG1 ILE A 36 1.212 5.162 0.572 1.00 0.00 C ATOM 591 CG2 ILE A 36 2.122 7.313 1.562 1.00 0.00 C ATOM 592 CD1 ILE A 36 2.369 4.997 -0.415 1.00 0.00 C ATOM 0 H ILE A 36 1.325 4.198 3.771 1.00 0.00 H new ATOM 0 HA ILE A 36 3.422 4.709 1.755 1.00 0.00 H new ATOM 0 HB ILE A 36 0.813 5.935 2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.806 4.184 0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.407 5.728 0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.319 7.854 1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.362 7.810 2.502 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.005 7.299 0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.014 4.485 -1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.757 5.978 -0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.162 4.410 0.049 1.00 0.00 H new ATOM 604 N ARG A 37 4.949 5.888 3.217 1.00 0.00 N ATOM 605 CA ARG A 37 5.897 6.646 4.014 1.00 0.00 C ATOM 606 C ARG A 37 6.812 7.472 3.108 1.00 0.00 C ATOM 607 O ARG A 37 7.313 6.971 2.103 1.00 0.00 O ATOM 608 CB ARG A 37 6.752 5.720 4.882 1.00 0.00 C ATOM 609 CG ARG A 37 6.855 6.250 6.313 1.00 0.00 C ATOM 610 CD ARG A 37 7.987 5.558 7.075 1.00 0.00 C ATOM 611 NE ARG A 37 8.006 6.016 8.481 1.00 0.00 N ATOM 612 CZ ARG A 37 8.874 5.577 9.403 1.00 0.00 C ATOM 613 NH1 ARG A 37 9.799 4.666 9.072 1.00 0.00 N ATOM 614 NH2 ARG A 37 8.817 6.050 10.656 1.00 0.00 N ATOM 0 H ARG A 37 5.367 5.334 2.469 1.00 0.00 H new ATOM 0 HA ARG A 37 5.327 7.310 4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.317 4.720 4.891 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.749 5.630 4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.029 7.326 6.294 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.911 6.089 6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.853 4.477 7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.943 5.777 6.600 1.00 0.00 H new ATOM 0 HE ARG A 37 7.315 6.710 8.767 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.843 4.307 8.118 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.460 4.332 9.774 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.113 6.744 10.908 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.478 5.716 11.358 1.00 0.00 H new ATOM 628 N VAL A 38 7.002 8.725 3.495 1.00 0.00 N ATOM 629 CA VAL A 38 7.847 9.626 2.730 1.00 0.00 C ATOM 630 C VAL A 38 9.315 9.326 3.040 1.00 0.00 C ATOM 631 O VAL A 38 9.654 8.960 4.164 1.00 0.00 O ATOM 632 CB VAL A 38 7.459 11.078 3.017 1.00 0.00 C ATOM 633 CG1 VAL A 38 7.908 11.999 1.881 1.00 0.00 C ATOM 634 CG2 VAL A 38 5.955 11.205 3.265 1.00 0.00 C ATOM 0 H VAL A 38 6.585 9.138 4.329 1.00 0.00 H new ATOM 0 HA VAL A 38 7.702 9.471 1.661 1.00 0.00 H new ATOM 0 HB VAL A 38 7.975 11.390 3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.620 13.025 2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.991 11.941 1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.433 11.687 0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.706 12.247 3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.411 10.866 2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.675 10.593 4.122 1.00 0.00 H new ATOM 644 N VAL A 39 10.147 9.494 2.023 1.00 0.00 N ATOM 645 CA VAL A 39 11.571 9.246 2.172 1.00 0.00 C ATOM 646 C VAL A 39 12.344 10.126 1.188 1.00 0.00 C ATOM 647 O VAL A 39 12.078 10.102 -0.013 1.00 0.00 O ATOM 648 CB VAL A 39 11.864 7.754 1.997 1.00 0.00 C ATOM 649 CG1 VAL A 39 11.290 7.234 0.679 1.00 0.00 C ATOM 650 CG2 VAL A 39 13.366 7.476 2.089 1.00 0.00 C ATOM 0 H VAL A 39 9.862 9.799 1.092 1.00 0.00 H new ATOM 0 HA VAL A 39 11.902 9.513 3.176 1.00 0.00 H new ATOM 0 HB VAL A 39 11.374 7.218 2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.512 6.172 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.210 7.381 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 39 11.738 7.778 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 39 13.547 6.409 1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 39 13.887 8.028 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 39 13.736 7.793 3.064 1.00 0.00 H new ATOM 660 N PRO A 40 13.310 10.903 1.747 1.00 0.00 N ATOM 661 CA PRO A 40 14.123 11.790 0.932 1.00 0.00 C ATOM 662 C PRO A 40 15.167 11.001 0.139 1.00 0.00 C ATOM 663 O PRO A 40 16.104 10.451 0.715 1.00 0.00 O ATOM 664 CB PRO A 40 14.739 12.772 1.914 1.00 0.00 C ATOM 665 CG PRO A 40 14.624 12.122 3.282 1.00 0.00 C ATOM 666 CD PRO A 40 13.652 10.958 3.165 1.00 0.00 C ATOM 0 HA PRO A 40 13.542 12.317 0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.781 12.973 1.664 1.00 0.00 H new ATOM 0 HB3 PRO A 40 14.215 13.728 1.891 1.00 0.00 H new ATOM 0 HG2 PRO A 40 15.599 11.773 3.622 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.269 12.843 4.019 1.00 0.00 H new ATOM 0 HD2 PRO A 40 14.108 10.026 3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.767 11.118 3.780 1.00 0.00 H new ATOM 674 N GLY A 41 14.971 10.972 -1.171 1.00 0.00 N ATOM 675 CA GLY A 41 15.884 10.260 -2.049 1.00 0.00 C ATOM 676 C GLY A 41 15.160 9.751 -3.297 1.00 0.00 C ATOM 677 O GLY A 41 13.935 9.824 -3.382 1.00 0.00 O ATOM 0 H GLY A 41 14.193 11.430 -1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.701 10.919 -2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 41 16.328 9.420 -1.514 1.00 0.00 H new ATOM 681 N GLY A 42 15.948 9.246 -4.235 1.00 0.00 N ATOM 682 CA GLY A 42 15.398 8.725 -5.474 1.00 0.00 C ATOM 683 C GLY A 42 15.998 9.442 -6.685 1.00 0.00 C ATOM 684 O GLY A 42 15.904 10.664 -6.797 1.00 0.00 O ATOM 0 H GLY A 42 16.964 9.187 -4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.599 7.656 -5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.315 8.847 -5.475 1.00 0.00 H new ATOM 688 N CYS A 43 16.602 8.653 -7.561 1.00 0.00 N ATOM 689 CA CYS A 43 17.218 9.197 -8.760 1.00 0.00 C ATOM 690 C CYS A 43 16.107 9.699 -9.685 1.00 0.00 C ATOM 691 O CYS A 43 16.221 10.774 -10.271 1.00 0.00 O ATOM 692 CB CYS A 43 18.115 8.169 -9.451 1.00 0.00 C ATOM 693 SG CYS A 43 18.605 8.778 -11.106 1.00 0.00 S ATOM 0 H CYS A 43 16.678 7.640 -7.465 1.00 0.00 H new ATOM 0 HA CYS A 43 17.870 10.028 -8.492 1.00 0.00 H new ATOM 0 HB2 CYS A 43 19.002 7.983 -8.846 1.00 0.00 H new ATOM 0 HB3 CYS A 43 17.588 7.219 -9.545 1.00 0.00 H new ATOM 0 HG CYS A 43 19.368 7.898 -11.684 1.00 0.00 H new ATOM 699 N SER A 44 15.058 8.896 -9.787 1.00 0.00 N ATOM 700 CA SER A 44 13.928 9.245 -10.631 1.00 0.00 C ATOM 701 C SER A 44 13.263 10.522 -10.113 1.00 0.00 C ATOM 702 O SER A 44 12.904 11.400 -10.895 1.00 0.00 O ATOM 703 CB SER A 44 12.911 8.103 -10.690 1.00 0.00 C ATOM 704 OG SER A 44 12.870 7.491 -11.976 1.00 0.00 O ATOM 0 H SER A 44 14.967 8.005 -9.299 1.00 0.00 H new ATOM 0 HA SER A 44 14.297 9.419 -11.642 1.00 0.00 H new ATOM 0 HB2 SER A 44 13.163 7.354 -9.940 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.922 8.485 -10.439 1.00 0.00 H new ATOM 0 HG SER A 44 12.210 6.766 -11.972 1.00 0.00 H new ATOM 710 N GLY A 45 13.119 10.584 -8.797 1.00 0.00 N ATOM 711 CA GLY A 45 12.503 11.739 -8.166 1.00 0.00 C ATOM 712 C GLY A 45 11.801 11.343 -6.865 1.00 0.00 C ATOM 713 O GLY A 45 11.541 10.164 -6.630 1.00 0.00 O ATOM 0 H GLY A 45 13.418 9.854 -8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.262 12.493 -7.959 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.783 12.191 -8.849 1.00 0.00 H new ATOM 717 N PHE A 46 11.515 12.351 -6.054 1.00 0.00 N ATOM 718 CA PHE A 46 10.848 12.123 -4.783 1.00 0.00 C ATOM 719 C PHE A 46 9.774 11.041 -4.914 1.00 0.00 C ATOM 720 O PHE A 46 8.723 11.274 -5.508 1.00 0.00 O ATOM 721 CB PHE A 46 10.181 13.441 -4.385 1.00 0.00 C ATOM 722 CG PHE A 46 11.150 14.620 -4.274 1.00 0.00 C ATOM 723 CD1 PHE A 46 12.087 14.640 -3.288 1.00 0.00 C ATOM 724 CD2 PHE A 46 11.075 15.648 -5.161 1.00 0.00 C ATOM 725 CE1 PHE A 46 12.986 15.734 -3.185 1.00 0.00 C ATOM 726 CE2 PHE A 46 11.974 16.742 -5.058 1.00 0.00 C ATOM 727 CZ PHE A 46 12.911 16.762 -4.072 1.00 0.00 C ATOM 0 H PHE A 46 11.733 13.328 -6.252 1.00 0.00 H new ATOM 0 HA PHE A 46 11.571 11.792 -4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 46 9.412 13.684 -5.119 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.677 13.307 -3.428 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.147 13.824 -2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.331 15.632 -5.944 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.730 15.750 -2.402 1.00 0.00 H new ATOM 0 HE2 PHE A 46 11.914 17.558 -5.762 1.00 0.00 H new ATOM 0 HZ PHE A 46 13.595 17.594 -3.994 1.00 0.00 H new ATOM 737 N GLN A 47 10.076 9.881 -4.349 1.00 0.00 N ATOM 738 CA GLN A 47 9.150 8.763 -4.394 1.00 0.00 C ATOM 739 C GLN A 47 9.125 8.039 -3.047 1.00 0.00 C ATOM 740 O GLN A 47 10.174 7.714 -2.493 1.00 0.00 O ATOM 741 CB GLN A 47 9.509 7.799 -5.528 1.00 0.00 C ATOM 742 CG GLN A 47 11.001 7.461 -5.508 1.00 0.00 C ATOM 743 CD GLN A 47 11.584 7.469 -6.922 1.00 0.00 C ATOM 744 OE1 GLN A 47 10.898 7.709 -7.903 1.00 0.00 O ATOM 745 NE2 GLN A 47 12.884 7.194 -6.973 1.00 0.00 N ATOM 0 H GLN A 47 10.949 9.692 -3.858 1.00 0.00 H new ATOM 0 HA GLN A 47 8.151 9.152 -4.594 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.924 6.884 -5.432 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.246 8.246 -6.487 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.533 8.182 -4.888 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.149 6.481 -5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.399 7.002 -6.114 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.366 7.175 -7.872 1.00 0.00 H new ATOM 754 N TYR A 48 7.915 7.808 -2.558 1.00 0.00 N ATOM 755 CA TYR A 48 7.740 7.129 -1.285 1.00 0.00 C ATOM 756 C TYR A 48 7.921 5.618 -1.441 1.00 0.00 C ATOM 757 O TYR A 48 7.427 5.025 -2.399 1.00 0.00 O ATOM 758 CB TYR A 48 6.302 7.415 -0.849 1.00 0.00 C ATOM 759 CG TYR A 48 5.824 8.832 -1.173 1.00 0.00 C ATOM 760 CD1 TYR A 48 6.617 9.917 -0.857 1.00 0.00 C ATOM 761 CD2 TYR A 48 4.600 9.026 -1.781 1.00 0.00 C ATOM 762 CE1 TYR A 48 6.167 11.251 -1.162 1.00 0.00 C ATOM 763 CE2 TYR A 48 4.150 10.360 -2.085 1.00 0.00 C ATOM 764 CZ TYR A 48 4.956 11.406 -1.761 1.00 0.00 C ATOM 765 OH TYR A 48 4.531 12.666 -2.049 1.00 0.00 O ATOM 0 H TYR A 48 7.047 8.079 -3.020 1.00 0.00 H new ATOM 0 HA TYR A 48 8.475 7.478 -0.559 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.637 6.699 -1.332 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.220 7.251 0.226 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.575 9.766 -0.381 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.980 8.177 -2.029 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.777 12.109 -0.920 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.194 10.526 -2.560 1.00 0.00 H new ATOM 0 HH TYR A 48 3.868 12.948 -1.384 1.00 0.00 H new ATOM 775 N ALA A 49 8.632 5.037 -0.485 1.00 0.00 N ATOM 776 CA ALA A 49 8.884 3.607 -0.503 1.00 0.00 C ATOM 777 C ALA A 49 7.661 2.870 0.045 1.00 0.00 C ATOM 778 O ALA A 49 6.851 3.453 0.764 1.00 0.00 O ATOM 779 CB ALA A 49 10.154 3.302 0.294 1.00 0.00 C ATOM 0 H ALA A 49 9.041 5.532 0.307 1.00 0.00 H new ATOM 0 HA ALA A 49 9.048 3.260 -1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.343 2.229 0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.999 3.825 -0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.026 3.635 1.324 1.00 0.00 H new ATOM 785 N MET A 50 7.565 1.598 -0.316 1.00 0.00 N ATOM 786 CA MET A 50 6.453 0.776 0.131 1.00 0.00 C ATOM 787 C MET A 50 6.937 -0.608 0.570 1.00 0.00 C ATOM 788 O MET A 50 7.879 -1.152 -0.006 1.00 0.00 O ATOM 789 CB MET A 50 5.440 0.626 -1.006 1.00 0.00 C ATOM 790 CG MET A 50 6.126 0.171 -2.295 1.00 0.00 C ATOM 791 SD MET A 50 5.227 -1.193 -3.016 1.00 0.00 S ATOM 792 CE MET A 50 6.194 -2.561 -2.400 1.00 0.00 C ATOM 0 H MET A 50 8.239 1.117 -0.912 1.00 0.00 H new ATOM 0 HA MET A 50 5.984 1.264 0.985 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.674 -0.096 -0.723 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.934 1.577 -1.175 1.00 0.00 H new ATOM 0 HG2 MET A 50 6.176 0.999 -3.002 1.00 0.00 H new ATOM 0 HG3 MET A 50 7.152 -0.130 -2.084 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.800 -3.495 -2.801 1.00 0.00 H new ATOM 0 HE2 MET A 50 7.232 -2.442 -2.711 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.141 -2.583 -1.311 1.00 0.00 H new ATOM 802 N GLY A 51 6.271 -1.138 1.585 1.00 0.00 N ATOM 803 CA GLY A 51 6.621 -2.448 2.107 1.00 0.00 C ATOM 804 C GLY A 51 5.594 -2.919 3.139 1.00 0.00 C ATOM 805 O GLY A 51 4.702 -2.164 3.522 1.00 0.00 O ATOM 0 H GLY A 51 5.491 -0.684 2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.676 -3.167 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.610 -2.409 2.564 1.00 0.00 H new ATOM 809 N PHE A 52 5.754 -4.165 3.559 1.00 0.00 N ATOM 810 CA PHE A 52 4.852 -4.747 4.539 1.00 0.00 C ATOM 811 C PHE A 52 5.186 -4.257 5.949 1.00 0.00 C ATOM 812 O PHE A 52 6.330 -4.354 6.389 1.00 0.00 O ATOM 813 CB PHE A 52 5.044 -6.263 4.479 1.00 0.00 C ATOM 814 CG PHE A 52 6.478 -6.721 4.754 1.00 0.00 C ATOM 815 CD1 PHE A 52 6.911 -6.867 6.035 1.00 0.00 C ATOM 816 CD2 PHE A 52 7.319 -6.981 3.718 1.00 0.00 C ATOM 817 CE1 PHE A 52 8.242 -7.291 6.290 1.00 0.00 C ATOM 818 CE2 PHE A 52 8.650 -7.405 3.973 1.00 0.00 C ATOM 819 CZ PHE A 52 9.083 -7.552 5.254 1.00 0.00 C ATOM 0 H PHE A 52 6.495 -4.788 3.239 1.00 0.00 H new ATOM 0 HA PHE A 52 3.825 -4.459 4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.379 -6.732 5.204 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.743 -6.618 3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.243 -6.661 6.858 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.975 -6.865 2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.586 -7.406 7.307 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.318 -7.611 3.150 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.095 -7.876 5.448 1.00 0.00 H new ATOM 829 N ASP A 53 4.165 -3.743 6.620 1.00 0.00 N ATOM 830 CA ASP A 53 4.336 -3.239 7.972 1.00 0.00 C ATOM 831 C ASP A 53 4.085 -4.371 8.969 1.00 0.00 C ATOM 832 O ASP A 53 3.676 -5.465 8.582 1.00 0.00 O ATOM 833 CB ASP A 53 3.340 -2.116 8.270 1.00 0.00 C ATOM 834 CG ASP A 53 3.930 -0.902 8.990 1.00 0.00 C ATOM 835 OD1 ASP A 53 4.434 -0.009 8.275 1.00 0.00 O ATOM 836 OD2 ASP A 53 3.865 -0.894 10.238 1.00 0.00 O ATOM 0 H ASP A 53 3.217 -3.665 6.252 1.00 0.00 H new ATOM 0 HA ASP A 53 5.352 -2.854 8.063 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.899 -1.783 7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.530 -2.521 8.877 1.00 0.00 H new ATOM 841 N ASP A 54 4.340 -4.070 10.234 1.00 0.00 N ATOM 842 CA ASP A 54 4.147 -5.049 11.290 1.00 0.00 C ATOM 843 C ASP A 54 2.672 -5.074 11.693 1.00 0.00 C ATOM 844 O ASP A 54 2.136 -6.127 12.036 1.00 0.00 O ATOM 845 CB ASP A 54 4.970 -4.692 12.530 1.00 0.00 C ATOM 846 CG ASP A 54 6.147 -5.626 12.816 1.00 0.00 C ATOM 847 OD1 ASP A 54 6.264 -6.632 12.084 1.00 0.00 O ATOM 848 OD2 ASP A 54 6.904 -5.312 13.760 1.00 0.00 O ATOM 0 H ASP A 54 4.679 -3.162 10.551 1.00 0.00 H new ATOM 0 HA ASP A 54 4.467 -6.020 10.912 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.351 -3.677 12.415 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.310 -4.688 13.397 1.00 0.00 H new ATOM 853 N THR A 55 2.056 -3.902 11.639 1.00 0.00 N ATOM 854 CA THR A 55 0.653 -3.776 11.994 1.00 0.00 C ATOM 855 C THR A 55 0.103 -2.427 11.526 1.00 0.00 C ATOM 856 O THR A 55 0.855 -1.578 11.051 1.00 0.00 O ATOM 857 CB THR A 55 0.526 -3.994 13.503 1.00 0.00 C ATOM 858 OG1 THR A 55 -0.788 -4.520 13.668 1.00 0.00 O ATOM 859 CG2 THR A 55 0.502 -2.679 14.284 1.00 0.00 C ATOM 0 H THR A 55 2.504 -3.031 11.354 1.00 0.00 H new ATOM 0 HA THR A 55 0.048 -4.530 11.490 1.00 0.00 H new ATOM 0 HB THR A 55 1.356 -4.608 13.852 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.954 -4.693 14.618 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.411 -2.890 15.349 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.426 -2.130 14.101 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.348 -2.078 13.959 1.00 0.00 H new ATOM 867 N VAL A 56 -1.204 -2.273 11.676 1.00 0.00 N ATOM 868 CA VAL A 56 -1.863 -1.042 11.275 1.00 0.00 C ATOM 869 C VAL A 56 -1.902 -0.078 12.463 1.00 0.00 C ATOM 870 O VAL A 56 -1.847 -0.505 13.615 1.00 0.00 O ATOM 871 CB VAL A 56 -3.252 -1.351 10.711 1.00 0.00 C ATOM 872 CG1 VAL A 56 -4.330 -1.170 11.781 1.00 0.00 C ATOM 873 CG2 VAL A 56 -3.548 -0.490 9.482 1.00 0.00 C ATOM 0 H VAL A 56 -1.824 -2.980 12.070 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.304 -0.553 10.477 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.263 -2.395 10.398 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.307 -1.396 11.355 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.133 -1.845 12.614 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.319 -0.140 12.138 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.541 -0.729 9.101 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.509 0.564 9.758 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.805 -0.690 8.710 1.00 0.00 H new ATOM 883 N GLU A 57 -1.995 1.204 12.141 1.00 0.00 N ATOM 884 CA GLU A 57 -2.042 2.231 13.168 1.00 0.00 C ATOM 885 C GLU A 57 -3.470 2.394 13.692 1.00 0.00 C ATOM 886 O GLU A 57 -4.410 1.839 13.125 1.00 0.00 O ATOM 887 CB GLU A 57 -1.497 3.559 12.639 1.00 0.00 C ATOM 888 CG GLU A 57 -0.302 3.332 11.711 1.00 0.00 C ATOM 889 CD GLU A 57 0.839 4.296 12.039 1.00 0.00 C ATOM 890 OE1 GLU A 57 0.548 5.508 12.134 1.00 0.00 O ATOM 891 OE2 GLU A 57 1.977 3.800 12.188 1.00 0.00 O ATOM 0 H GLU A 57 -2.039 1.555 11.184 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.406 1.918 13.996 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.283 4.090 12.102 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.198 4.192 13.475 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.047 2.304 11.807 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.611 3.468 10.675 1.00 0.00 H new ATOM 898 N GLU A 58 -3.587 3.157 14.769 1.00 0.00 N ATOM 899 CA GLU A 58 -4.885 3.399 15.376 1.00 0.00 C ATOM 900 C GLU A 58 -5.564 4.601 14.716 1.00 0.00 C ATOM 901 O GLU A 58 -6.448 5.220 15.305 1.00 0.00 O ATOM 902 CB GLU A 58 -4.754 3.605 16.886 1.00 0.00 C ATOM 903 CG GLU A 58 -6.028 3.168 17.612 1.00 0.00 C ATOM 904 CD GLU A 58 -6.025 1.659 17.866 1.00 0.00 C ATOM 905 OE1 GLU A 58 -4.924 1.132 18.133 1.00 0.00 O ATOM 906 OE2 GLU A 58 -7.123 1.068 17.786 1.00 0.00 O ATOM 0 H GLU A 58 -2.805 3.615 15.237 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.509 2.520 15.215 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.904 3.036 17.262 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.553 4.655 17.097 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.111 3.700 18.560 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.901 3.438 17.017 1.00 0.00 H new ATOM 913 N GLY A 59 -5.123 4.896 13.501 1.00 0.00 N ATOM 914 CA GLY A 59 -5.677 6.013 12.755 1.00 0.00 C ATOM 915 C GLY A 59 -5.064 6.094 11.355 1.00 0.00 C ATOM 916 O GLY A 59 -4.575 7.147 10.948 1.00 0.00 O ATOM 0 H GLY A 59 -4.389 4.381 13.015 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.759 5.902 12.677 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.490 6.943 13.292 1.00 0.00 H new ATOM 920 N ASP A 60 -5.110 4.969 10.657 1.00 0.00 N ATOM 921 CA ASP A 60 -4.566 4.901 9.312 1.00 0.00 C ATOM 922 C ASP A 60 -5.709 4.720 8.312 1.00 0.00 C ATOM 923 O ASP A 60 -6.843 4.446 8.702 1.00 0.00 O ATOM 924 CB ASP A 60 -3.615 3.711 9.162 1.00 0.00 C ATOM 925 CG ASP A 60 -2.257 4.042 8.541 1.00 0.00 C ATOM 926 OD1 ASP A 60 -2.140 5.161 7.995 1.00 0.00 O ATOM 927 OD2 ASP A 60 -1.365 3.170 8.627 1.00 0.00 O ATOM 0 H ASP A 60 -5.516 4.097 10.998 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.021 5.826 9.122 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.450 3.271 10.145 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.102 2.951 8.550 1.00 0.00 H new ATOM 932 N HIS A 61 -5.372 4.881 7.040 1.00 0.00 N ATOM 933 CA HIS A 61 -6.357 4.739 5.981 1.00 0.00 C ATOM 934 C HIS A 61 -6.330 3.307 5.444 1.00 0.00 C ATOM 935 O HIS A 61 -5.515 2.978 4.584 1.00 0.00 O ATOM 936 CB HIS A 61 -6.134 5.787 4.889 1.00 0.00 C ATOM 937 CG HIS A 61 -6.532 7.187 5.290 1.00 0.00 C ATOM 938 ND1 HIS A 61 -7.834 7.649 5.210 1.00 0.00 N ATOM 939 CD2 HIS A 61 -5.786 8.221 5.776 1.00 0.00 C ATOM 940 CE1 HIS A 61 -7.859 8.905 5.630 1.00 0.00 C ATOM 941 NE2 HIS A 61 -6.589 9.258 5.980 1.00 0.00 N ATOM 0 H HIS A 61 -4.431 5.108 6.719 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.355 4.921 6.380 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.081 5.786 4.609 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.700 5.499 4.003 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.723 8.199 5.963 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -8.732 9.538 5.686 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.303 10.169 6.339 1.00 0.00 H new ATOM 949 N VAL A 62 -7.232 2.494 5.974 1.00 0.00 N ATOM 950 CA VAL A 62 -7.322 1.104 5.558 1.00 0.00 C ATOM 951 C VAL A 62 -8.002 1.029 4.189 1.00 0.00 C ATOM 952 O VAL A 62 -9.169 1.392 4.051 1.00 0.00 O ATOM 953 CB VAL A 62 -8.042 0.283 6.629 1.00 0.00 C ATOM 954 CG1 VAL A 62 -9.345 -0.307 6.085 1.00 0.00 C ATOM 955 CG2 VAL A 62 -7.132 -0.815 7.183 1.00 0.00 C ATOM 0 H VAL A 62 -7.907 2.771 6.687 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.327 0.672 5.451 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.295 0.954 7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.837 -0.886 6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.003 0.500 5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.125 -0.956 5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.669 -1.384 7.943 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.833 -1.482 6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.245 -0.363 7.627 1.00 0.00 H new ATOM 965 N PHE A 63 -7.243 0.555 3.212 1.00 0.00 N ATOM 966 CA PHE A 63 -7.757 0.427 1.860 1.00 0.00 C ATOM 967 C PHE A 63 -7.819 -1.040 1.433 1.00 0.00 C ATOM 968 O PHE A 63 -6.786 -1.688 1.271 1.00 0.00 O ATOM 969 CB PHE A 63 -6.788 1.173 0.940 1.00 0.00 C ATOM 970 CG PHE A 63 -7.441 2.287 0.120 1.00 0.00 C ATOM 971 CD1 PHE A 63 -8.561 2.029 -0.607 1.00 0.00 C ATOM 972 CD2 PHE A 63 -6.902 3.536 0.118 1.00 0.00 C ATOM 973 CE1 PHE A 63 -9.168 3.063 -1.368 1.00 0.00 C ATOM 974 CE2 PHE A 63 -7.508 4.570 -0.644 1.00 0.00 C ATOM 975 CZ PHE A 63 -8.628 4.312 -1.371 1.00 0.00 C ATOM 0 H PHE A 63 -6.275 0.255 3.330 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.766 0.836 1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.988 1.601 1.543 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.326 0.458 0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.989 1.037 -0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.013 3.741 0.696 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.058 2.858 -1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.079 5.561 -0.646 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.089 5.098 -1.951 1.00 0.00 H new ATOM 985 N GLU A 64 -9.042 -1.523 1.262 1.00 0.00 N ATOM 986 CA GLU A 64 -9.252 -2.902 0.857 1.00 0.00 C ATOM 987 C GLU A 64 -8.882 -3.085 -0.616 1.00 0.00 C ATOM 988 O GLU A 64 -9.258 -2.274 -1.460 1.00 0.00 O ATOM 989 CB GLU A 64 -10.696 -3.336 1.118 1.00 0.00 C ATOM 990 CG GLU A 64 -11.064 -3.160 2.592 1.00 0.00 C ATOM 991 CD GLU A 64 -12.436 -3.767 2.891 1.00 0.00 C ATOM 992 OE1 GLU A 64 -13.380 -3.432 2.143 1.00 0.00 O ATOM 993 OE2 GLU A 64 -12.510 -4.552 3.861 1.00 0.00 O ATOM 0 H GLU A 64 -9.897 -0.983 1.397 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.602 -3.539 1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.374 -2.749 0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.823 -4.379 0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.308 -3.634 3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.068 -2.100 2.845 1.00 0.00 H new ATOM 1000 N TYR A 65 -8.148 -4.157 -0.880 1.00 0.00 N ATOM 1001 CA TYR A 65 -7.723 -4.457 -2.237 1.00 0.00 C ATOM 1002 C TYR A 65 -7.839 -5.954 -2.529 1.00 0.00 C ATOM 1003 O TYR A 65 -8.630 -6.654 -1.899 1.00 0.00 O ATOM 1004 CB TYR A 65 -6.252 -4.045 -2.318 1.00 0.00 C ATOM 1005 CG TYR A 65 -5.944 -3.056 -3.444 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -6.412 -3.295 -4.720 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -5.198 -1.925 -3.183 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -6.122 -2.364 -5.780 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -4.908 -0.994 -4.243 1.00 0.00 C ATOM 1010 CZ TYR A 65 -5.384 -1.259 -5.489 1.00 0.00 C ATOM 1011 OH TYR A 65 -5.110 -0.379 -6.489 1.00 0.00 O ATOM 0 H TYR A 65 -7.837 -4.828 -0.177 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.345 -3.930 -2.960 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.957 -3.601 -1.367 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.642 -4.938 -2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.996 -4.180 -4.924 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.832 -1.738 -2.184 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.482 -2.539 -6.783 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.325 -0.105 -4.052 1.00 0.00 H new ATOM 0 HH TYR A 65 -4.300 -0.663 -6.962 1.00 0.00 H new ATOM 1021 N ASP A 66 -7.038 -6.401 -3.485 1.00 0.00 N ATOM 1022 CA ASP A 66 -7.040 -7.803 -3.869 1.00 0.00 C ATOM 1023 C ASP A 66 -6.519 -8.647 -2.704 1.00 0.00 C ATOM 1024 O ASP A 66 -5.409 -9.173 -2.762 1.00 0.00 O ATOM 1025 CB ASP A 66 -6.129 -8.046 -5.073 1.00 0.00 C ATOM 1026 CG ASP A 66 -6.446 -9.305 -5.881 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -7.332 -10.062 -5.428 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -5.796 -9.484 -6.933 1.00 0.00 O ATOM 0 H ASP A 66 -6.383 -5.817 -4.005 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.062 -8.080 -4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.190 -7.183 -5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.098 -8.107 -4.723 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.345 -8.749 -1.673 1.00 0.00 N ATOM 1034 CA GLY A 67 -6.982 -9.520 -0.497 1.00 0.00 C ATOM 1035 C GLY A 67 -5.783 -8.895 0.220 1.00 0.00 C ATOM 1036 O GLY A 67 -4.905 -9.607 0.706 1.00 0.00 O ATOM 0 H GLY A 67 -8.265 -8.310 -1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.831 -9.572 0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.744 -10.543 -0.788 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.784 -7.571 0.262 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.707 -6.842 0.910 1.00 0.00 C ATOM 1042 C VAL A 68 -5.238 -5.500 1.418 1.00 0.00 C ATOM 1043 O VAL A 68 -6.093 -4.886 0.780 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.524 -6.693 -0.049 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -2.352 -5.983 0.632 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -3.094 -8.052 -0.604 1.00 0.00 C ATOM 0 H VAL A 68 -6.514 -6.984 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.339 -7.394 1.775 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.848 -6.076 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.525 -5.890 -0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.666 -4.991 0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.029 -6.562 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.252 -7.918 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.797 -8.703 0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.926 -8.505 -1.143 1.00 0.00 H new ATOM 1056 N LYS A 69 -4.710 -5.085 2.559 1.00 0.00 N ATOM 1057 CA LYS A 69 -5.121 -3.827 3.160 1.00 0.00 C ATOM 1058 C LYS A 69 -3.945 -2.848 3.136 1.00 0.00 C ATOM 1059 O LYS A 69 -2.843 -3.185 3.566 1.00 0.00 O ATOM 1060 CB LYS A 69 -5.697 -4.062 4.557 1.00 0.00 C ATOM 1061 CG LYS A 69 -6.737 -5.185 4.540 1.00 0.00 C ATOM 1062 CD LYS A 69 -6.098 -6.529 4.894 1.00 0.00 C ATOM 1063 CE LYS A 69 -6.730 -7.121 6.155 1.00 0.00 C ATOM 1064 NZ LYS A 69 -6.966 -8.572 5.985 1.00 0.00 N ATOM 0 H LYS A 69 -4.001 -5.597 3.084 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.926 -3.374 2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.893 -4.317 5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.154 -3.144 4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.533 -4.959 5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.196 -5.245 3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.218 -7.223 4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.027 -6.397 5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.076 -6.951 7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.672 -6.616 6.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.395 -8.958 6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.607 -8.728 5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.061 -9.052 5.804 1.00 0.00 H new ATOM 1078 N VAL A 70 -4.220 -1.655 2.629 1.00 0.00 N ATOM 1079 CA VAL A 70 -3.199 -0.624 2.544 1.00 0.00 C ATOM 1080 C VAL A 70 -3.417 0.397 3.662 1.00 0.00 C ATOM 1081 O VAL A 70 -4.505 0.479 4.230 1.00 0.00 O ATOM 1082 CB VAL A 70 -3.205 0.004 1.149 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -2.315 1.247 1.104 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -2.782 -1.012 0.088 1.00 0.00 C ATOM 0 H VAL A 70 -5.135 -1.379 2.273 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.208 -1.054 2.687 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.226 0.315 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.337 1.674 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.681 1.983 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.292 0.971 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.795 -0.539 -0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.775 -1.368 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.474 -1.854 0.094 1.00 0.00 H new ATOM 1094 N VAL A 71 -2.365 1.152 3.944 1.00 0.00 N ATOM 1095 CA VAL A 71 -2.428 2.165 4.983 1.00 0.00 C ATOM 1096 C VAL A 71 -1.579 3.369 4.568 1.00 0.00 C ATOM 1097 O VAL A 71 -0.668 3.238 3.752 1.00 0.00 O ATOM 1098 CB VAL A 71 -2.001 1.566 6.325 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -2.386 0.088 6.413 1.00 0.00 C ATOM 1100 CG2 VAL A 71 -0.501 1.756 6.557 1.00 0.00 C ATOM 0 H VAL A 71 -1.464 1.082 3.471 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.451 2.518 5.111 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.533 2.098 7.114 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.071 -0.313 7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.467 -0.013 6.313 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.895 -0.464 5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.223 1.322 7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.056 1.262 5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.265 2.820 6.558 1.00 0.00 H new ATOM 1110 N ILE A 72 -1.909 4.513 5.149 1.00 0.00 N ATOM 1111 CA ILE A 72 -1.188 5.739 4.850 1.00 0.00 C ATOM 1112 C ILE A 72 -1.085 6.587 6.119 1.00 0.00 C ATOM 1113 O ILE A 72 -2.068 7.189 6.549 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.837 6.469 3.673 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -2.294 5.479 2.598 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -0.901 7.538 3.106 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -3.146 6.177 1.537 1.00 0.00 C ATOM 0 H ILE A 72 -2.666 4.617 5.825 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.170 5.514 4.533 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.727 6.982 4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.424 5.021 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.868 4.675 3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.387 8.041 2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.668 8.266 3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.020 7.069 2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.457 5.452 0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.027 6.613 2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.561 6.964 1.061 1.00 0.00 H new ATOM 1129 N ASP A 73 0.114 6.609 6.683 1.00 0.00 N ATOM 1130 CA ASP A 73 0.357 7.374 7.894 1.00 0.00 C ATOM 1131 C ASP A 73 -0.403 8.700 7.816 1.00 0.00 C ATOM 1132 O ASP A 73 -0.741 9.162 6.728 1.00 0.00 O ATOM 1133 CB ASP A 73 1.845 7.691 8.055 1.00 0.00 C ATOM 1134 CG ASP A 73 2.789 6.517 7.788 1.00 0.00 C ATOM 1135 OD1 ASP A 73 2.263 5.418 7.507 1.00 0.00 O ATOM 1136 OD2 ASP A 73 4.016 6.745 7.870 1.00 0.00 O ATOM 0 H ASP A 73 0.927 6.109 6.324 1.00 0.00 H new ATOM 0 HA ASP A 73 0.021 6.778 8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.103 8.506 7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.016 8.052 9.069 1.00 0.00 H new ATOM 1141 N PRO A 74 -0.655 9.288 9.015 1.00 0.00 N ATOM 1142 CA PRO A 74 -1.369 10.552 9.094 1.00 0.00 C ATOM 1143 C PRO A 74 -0.471 11.716 8.672 1.00 0.00 C ATOM 1144 O PRO A 74 -0.962 12.782 8.304 1.00 0.00 O ATOM 1145 CB PRO A 74 -1.834 10.652 10.537 1.00 0.00 C ATOM 1146 CG PRO A 74 -0.972 9.676 11.322 1.00 0.00 C ATOM 1147 CD PRO A 74 -0.269 8.769 10.324 1.00 0.00 C ATOM 0 HA PRO A 74 -2.218 10.599 8.413 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.717 11.668 10.915 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.890 10.398 10.625 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.243 10.213 11.929 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.585 9.089 12.005 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.812 8.796 10.458 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.579 7.731 10.446 1.00 0.00 H new ATOM 1155 N PHE A 75 0.830 11.473 8.739 1.00 0.00 N ATOM 1156 CA PHE A 75 1.801 12.488 8.369 1.00 0.00 C ATOM 1157 C PHE A 75 2.056 12.479 6.860 1.00 0.00 C ATOM 1158 O PHE A 75 2.391 13.509 6.278 1.00 0.00 O ATOM 1159 CB PHE A 75 3.104 12.146 9.096 1.00 0.00 C ATOM 1160 CG PHE A 75 3.738 13.332 9.825 1.00 0.00 C ATOM 1161 CD1 PHE A 75 4.262 14.367 9.115 1.00 0.00 C ATOM 1162 CD2 PHE A 75 3.779 13.351 11.185 1.00 0.00 C ATOM 1163 CE1 PHE A 75 4.851 15.467 9.792 1.00 0.00 C ATOM 1164 CE2 PHE A 75 4.368 14.451 11.862 1.00 0.00 C ATOM 1165 CZ PHE A 75 4.891 15.486 11.152 1.00 0.00 C ATOM 0 H PHE A 75 1.234 10.588 9.044 1.00 0.00 H new ATOM 0 HA PHE A 75 1.429 13.476 8.642 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.909 11.352 9.817 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.819 11.752 8.374 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.230 14.352 8.036 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.363 12.529 11.749 1.00 0.00 H new ATOM 0 HE1 PHE A 75 5.267 16.288 9.228 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.401 14.466 12.941 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.338 16.323 11.667 1.00 0.00 H new ATOM 1175 N SER A 76 1.885 11.305 6.270 1.00 0.00 N ATOM 1176 CA SER A 76 2.092 11.149 4.841 1.00 0.00 C ATOM 1177 C SER A 76 0.794 11.450 4.088 1.00 0.00 C ATOM 1178 O SER A 76 0.814 11.694 2.883 1.00 0.00 O ATOM 1179 CB SER A 76 2.585 9.740 4.506 1.00 0.00 C ATOM 1180 OG SER A 76 1.822 8.736 5.171 1.00 0.00 O ATOM 0 H SER A 76 1.605 10.453 6.756 1.00 0.00 H new ATOM 0 HA SER A 76 2.859 11.857 4.528 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.530 9.583 3.429 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.633 9.646 4.789 1.00 0.00 H new ATOM 0 HG SER A 76 2.251 7.864 5.047 1.00 0.00 H new ATOM 1186 N MET A 77 -0.303 11.423 4.831 1.00 0.00 N ATOM 1187 CA MET A 77 -1.607 11.691 4.249 1.00 0.00 C ATOM 1188 C MET A 77 -1.626 13.049 3.546 1.00 0.00 C ATOM 1189 O MET A 77 -2.024 13.146 2.386 1.00 0.00 O ATOM 1190 CB MET A 77 -2.671 11.670 5.349 1.00 0.00 C ATOM 1191 CG MET A 77 -3.764 10.647 5.035 1.00 0.00 C ATOM 1192 SD MET A 77 -5.233 11.481 4.458 1.00 0.00 S ATOM 1193 CE MET A 77 -4.908 11.502 2.703 1.00 0.00 C ATOM 0 H MET A 77 -0.315 11.220 5.830 1.00 0.00 H new ATOM 0 HA MET A 77 -1.820 10.918 3.510 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.206 11.429 6.305 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.114 12.661 5.451 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.412 9.947 4.277 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.994 10.063 5.926 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.797 11.844 2.172 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.078 12.178 2.495 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.650 10.497 2.369 1.00 0.00 H new ATOM 1203 N PRO A 78 -1.178 14.091 4.296 1.00 0.00 N ATOM 1204 CA PRO A 78 -1.140 15.440 3.757 1.00 0.00 C ATOM 1205 C PRO A 78 0.021 15.605 2.774 1.00 0.00 C ATOM 1206 O PRO A 78 0.233 16.690 2.235 1.00 0.00 O ATOM 1207 CB PRO A 78 -1.023 16.346 4.972 1.00 0.00 C ATOM 1208 CG PRO A 78 -0.533 15.461 6.106 1.00 0.00 C ATOM 1209 CD PRO A 78 -0.699 14.014 5.673 1.00 0.00 C ATOM 0 HA PRO A 78 -2.029 15.687 3.177 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.326 17.163 4.785 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.984 16.798 5.216 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.512 15.674 6.332 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.102 15.655 7.015 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.245 13.472 5.734 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.410 13.489 6.311 1.00 0.00 H new ATOM 1217 N TYR A 79 0.742 14.512 2.571 1.00 0.00 N ATOM 1218 CA TYR A 79 1.875 14.521 1.662 1.00 0.00 C ATOM 1219 C TYR A 79 1.596 13.661 0.428 1.00 0.00 C ATOM 1220 O TYR A 79 2.347 13.703 -0.545 1.00 0.00 O ATOM 1221 CB TYR A 79 3.044 13.913 2.440 1.00 0.00 C ATOM 1222 CG TYR A 79 4.365 14.665 2.267 1.00 0.00 C ATOM 1223 CD1 TYR A 79 4.603 15.386 1.114 1.00 0.00 C ATOM 1224 CD2 TYR A 79 5.319 14.622 3.263 1.00 0.00 C ATOM 1225 CE1 TYR A 79 5.847 16.093 0.951 1.00 0.00 C ATOM 1226 CE2 TYR A 79 6.563 15.330 3.100 1.00 0.00 C ATOM 1227 CZ TYR A 79 6.765 16.030 1.953 1.00 0.00 C ATOM 1228 OH TYR A 79 7.940 16.699 1.799 1.00 0.00 O ATOM 0 H TYR A 79 0.563 13.614 3.021 1.00 0.00 H new ATOM 0 HA TYR A 79 2.083 15.534 1.318 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.788 13.888 3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.181 12.880 2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.856 15.420 0.334 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.133 14.058 4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.047 16.660 0.054 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.318 15.305 3.872 1.00 0.00 H new ATOM 0 HH TYR A 79 8.499 16.566 2.593 1.00 0.00 H new ATOM 1238 N VAL A 80 0.515 12.900 0.509 1.00 0.00 N ATOM 1239 CA VAL A 80 0.127 12.031 -0.590 1.00 0.00 C ATOM 1240 C VAL A 80 -1.399 12.000 -0.695 1.00 0.00 C ATOM 1241 O VAL A 80 -1.996 10.929 -0.795 1.00 0.00 O ATOM 1242 CB VAL A 80 0.742 10.643 -0.401 1.00 0.00 C ATOM 1243 CG1 VAL A 80 2.233 10.744 -0.072 1.00 0.00 C ATOM 1244 CG2 VAL A 80 -0.005 9.855 0.677 1.00 0.00 C ATOM 0 H VAL A 80 -0.105 12.867 1.318 1.00 0.00 H new ATOM 0 HA VAL A 80 0.510 12.415 -1.535 1.00 0.00 H new ATOM 0 HB VAL A 80 0.643 10.101 -1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.646 9.743 0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.752 11.248 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.365 11.313 0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.452 8.872 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.049 10.393 1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.049 9.738 0.385 1.00 0.00 H new ATOM 1254 N ASN A 81 -1.987 13.187 -0.669 1.00 0.00 N ATOM 1255 CA ASN A 81 -3.432 13.308 -0.761 1.00 0.00 C ATOM 1256 C ASN A 81 -3.833 13.475 -2.228 1.00 0.00 C ATOM 1257 O ASN A 81 -3.172 14.191 -2.978 1.00 0.00 O ATOM 1258 CB ASN A 81 -3.931 14.533 0.008 1.00 0.00 C ATOM 1259 CG ASN A 81 -3.102 15.772 -0.335 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -1.949 15.903 0.043 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -3.750 16.671 -1.070 1.00 0.00 N ATOM 0 H ASN A 81 -1.489 14.073 -0.586 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.874 12.408 -0.333 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.979 14.715 -0.231 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.877 14.341 1.080 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.282 17.533 -1.351 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.715 16.499 -1.353 1.00 0.00 H new ATOM 1268 N GLY A 82 -4.915 12.803 -2.592 1.00 0.00 N ATOM 1269 CA GLY A 82 -5.413 12.867 -3.956 1.00 0.00 C ATOM 1270 C GLY A 82 -4.287 12.620 -4.962 1.00 0.00 C ATOM 1271 O GLY A 82 -4.028 13.455 -5.827 1.00 0.00 O ATOM 0 H GLY A 82 -5.461 12.211 -1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.199 12.125 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.861 13.844 -4.138 1.00 0.00 H new ATOM 1275 N ALA A 83 -3.649 11.468 -4.816 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.557 11.100 -5.702 1.00 0.00 C ATOM 1277 C ALA A 83 -2.434 9.575 -5.746 1.00 0.00 C ATOM 1278 O ALA A 83 -3.149 8.870 -5.036 1.00 0.00 O ATOM 1279 CB ALA A 83 -1.268 11.775 -5.231 1.00 0.00 C ATOM 0 H ALA A 83 -3.867 10.777 -4.098 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.753 11.445 -6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.449 11.499 -5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.398 12.857 -5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.037 11.450 -4.216 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.523 9.111 -6.588 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.297 7.684 -6.735 1.00 0.00 C ATOM 1287 C GLU A 84 0.200 7.374 -6.674 1.00 0.00 C ATOM 1288 O GLU A 84 1.025 8.285 -6.636 1.00 0.00 O ATOM 1289 CB GLU A 84 -1.912 7.162 -8.034 1.00 0.00 C ATOM 1290 CG GLU A 84 -1.524 8.048 -9.220 1.00 0.00 C ATOM 1291 CD GLU A 84 -2.500 7.865 -10.384 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -2.732 6.694 -10.751 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -2.992 8.902 -10.880 1.00 0.00 O ATOM 0 H GLU A 84 -0.932 9.699 -7.176 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.788 7.172 -5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.577 6.140 -8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.997 7.130 -7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.514 9.093 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.513 7.803 -9.546 1.00 0.00 H new ATOM 1300 N LEU A 85 0.505 6.084 -6.666 1.00 0.00 N ATOM 1301 CA LEU A 85 1.889 5.643 -6.611 1.00 0.00 C ATOM 1302 C LEU A 85 2.110 4.540 -7.647 1.00 0.00 C ATOM 1303 O LEU A 85 1.641 3.416 -7.472 1.00 0.00 O ATOM 1304 CB LEU A 85 2.263 5.232 -5.185 1.00 0.00 C ATOM 1305 CG LEU A 85 3.122 3.972 -5.054 1.00 0.00 C ATOM 1306 CD1 LEU A 85 4.419 4.108 -5.855 1.00 0.00 C ATOM 1307 CD2 LEU A 85 3.388 3.640 -3.585 1.00 0.00 C ATOM 0 H LEU A 85 -0.182 5.331 -6.697 1.00 0.00 H new ATOM 0 HA LEU A 85 2.561 6.462 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.794 6.060 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.344 5.082 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 85 2.568 3.135 -5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.011 3.200 -5.745 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.182 4.262 -6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.989 4.960 -5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.000 2.741 -3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.913 4.471 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.441 3.472 -3.073 1.00 0.00 H new ATOM 1319 N ASP A 86 2.823 4.899 -8.704 1.00 0.00 N ATOM 1320 CA ASP A 86 3.112 3.954 -9.769 1.00 0.00 C ATOM 1321 C ASP A 86 4.499 3.348 -9.545 1.00 0.00 C ATOM 1322 O ASP A 86 5.455 4.067 -9.259 1.00 0.00 O ATOM 1323 CB ASP A 86 3.112 4.644 -11.134 1.00 0.00 C ATOM 1324 CG ASP A 86 3.401 3.726 -12.323 1.00 0.00 C ATOM 1325 OD1 ASP A 86 3.284 2.497 -12.132 1.00 0.00 O ATOM 1326 OD2 ASP A 86 3.733 4.275 -13.396 1.00 0.00 O ATOM 0 H ASP A 86 3.210 5.832 -8.846 1.00 0.00 H new ATOM 0 HA ASP A 86 2.340 3.184 -9.755 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.141 5.115 -11.286 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.855 5.441 -11.121 1.00 0.00 H new ATOM 1331 N TYR A 87 4.565 2.032 -9.684 1.00 0.00 N ATOM 1332 CA TYR A 87 5.819 1.321 -9.501 1.00 0.00 C ATOM 1333 C TYR A 87 6.635 1.308 -10.794 1.00 0.00 C ATOM 1334 O TYR A 87 6.375 0.505 -11.689 1.00 0.00 O ATOM 1335 CB TYR A 87 5.440 -0.115 -9.136 1.00 0.00 C ATOM 1336 CG TYR A 87 6.636 -1.008 -8.799 1.00 0.00 C ATOM 1337 CD1 TYR A 87 7.362 -1.601 -9.812 1.00 0.00 C ATOM 1338 CD2 TYR A 87 6.990 -1.219 -7.481 1.00 0.00 C ATOM 1339 CE1 TYR A 87 8.487 -2.441 -9.494 1.00 0.00 C ATOM 1340 CE2 TYR A 87 8.116 -2.058 -7.164 1.00 0.00 C ATOM 1341 CZ TYR A 87 8.809 -2.628 -8.186 1.00 0.00 C ATOM 1342 OH TYR A 87 9.872 -3.421 -7.886 1.00 0.00 O ATOM 0 H TYR A 87 3.770 1.439 -9.921 1.00 0.00 H new ATOM 0 HA TYR A 87 6.424 1.802 -8.732 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.763 -0.095 -8.282 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.892 -0.558 -9.968 1.00 0.00 H new ATOM 0 HD1 TYR A 87 7.086 -1.435 -10.843 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.422 -0.755 -6.688 1.00 0.00 H new ATOM 0 HE1 TYR A 87 9.063 -2.912 -10.277 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.404 -2.231 -6.138 1.00 0.00 H new ATOM 0 HH TYR A 87 9.985 -3.463 -6.913 1.00 0.00 H new ATOM 1352 N VAL A 88 7.608 2.206 -10.852 1.00 0.00 N ATOM 1353 CA VAL A 88 8.464 2.308 -12.021 1.00 0.00 C ATOM 1354 C VAL A 88 9.784 1.585 -11.746 1.00 0.00 C ATOM 1355 O VAL A 88 10.195 1.452 -10.594 1.00 0.00 O ATOM 1356 CB VAL A 88 8.656 3.777 -12.403 1.00 0.00 C ATOM 1357 CG1 VAL A 88 9.875 3.953 -13.312 1.00 0.00 C ATOM 1358 CG2 VAL A 88 7.396 4.342 -13.062 1.00 0.00 C ATOM 0 H VAL A 88 7.822 2.870 -10.108 1.00 0.00 H new ATOM 0 HA VAL A 88 7.999 1.821 -12.878 1.00 0.00 H new ATOM 0 HB VAL A 88 8.836 4.340 -11.487 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.989 5.006 -13.569 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.769 3.608 -12.793 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.737 3.371 -14.223 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.560 5.387 -13.323 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.171 3.773 -13.964 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.558 4.268 -12.368 1.00 0.00 H new ATOM 1368 N VAL A 89 10.412 1.135 -12.822 1.00 0.00 N ATOM 1369 CA VAL A 89 11.677 0.429 -12.711 1.00 0.00 C ATOM 1370 C VAL A 89 12.707 1.088 -13.630 1.00 0.00 C ATOM 1371 O VAL A 89 12.450 1.284 -14.817 1.00 0.00 O ATOM 1372 CB VAL A 89 11.474 -1.058 -13.010 1.00 0.00 C ATOM 1373 CG1 VAL A 89 12.800 -1.818 -12.939 1.00 0.00 C ATOM 1374 CG2 VAL A 89 10.439 -1.671 -12.065 1.00 0.00 C ATOM 0 H VAL A 89 10.068 1.246 -13.776 1.00 0.00 H new ATOM 0 HA VAL A 89 12.062 0.493 -11.693 1.00 0.00 H new ATOM 0 HB VAL A 89 11.092 -1.146 -14.027 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.627 -2.872 -13.155 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.495 -1.406 -13.671 1.00 0.00 H new ATOM 0 HG13 VAL A 89 13.224 -1.718 -11.940 1.00 0.00 H new ATOM 0 HG21 VAL A 89 10.314 -2.728 -12.299 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.779 -1.565 -11.035 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.486 -1.157 -12.187 1.00 0.00 H new ATOM 1384 N ASP A 90 13.851 1.412 -13.047 1.00 0.00 N ATOM 1385 CA ASP A 90 14.922 2.046 -13.798 1.00 0.00 C ATOM 1386 C ASP A 90 16.220 1.969 -12.992 1.00 0.00 C ATOM 1387 O ASP A 90 16.307 1.222 -12.019 1.00 0.00 O ATOM 1388 CB ASP A 90 14.613 3.521 -14.059 1.00 0.00 C ATOM 1389 CG ASP A 90 13.311 3.785 -14.818 1.00 0.00 C ATOM 1390 OD1 ASP A 90 13.208 3.287 -15.960 1.00 0.00 O ATOM 1391 OD2 ASP A 90 12.447 4.479 -14.239 1.00 0.00 O ATOM 0 H ASP A 90 14.060 1.247 -12.062 1.00 0.00 H new ATOM 0 HA ASP A 90 15.021 1.525 -14.750 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.570 4.042 -13.103 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.439 3.955 -14.622 1.00 0.00 H new ATOM 1396 N PHE A 91 17.196 2.753 -13.426 1.00 0.00 N ATOM 1397 CA PHE A 91 18.485 2.784 -12.757 1.00 0.00 C ATOM 1398 C PHE A 91 18.876 1.392 -12.256 1.00 0.00 C ATOM 1399 O PHE A 91 18.630 0.394 -12.931 1.00 0.00 O ATOM 1400 CB PHE A 91 18.344 3.724 -11.558 1.00 0.00 C ATOM 1401 CG PHE A 91 19.640 4.439 -11.172 1.00 0.00 C ATOM 1402 CD1 PHE A 91 20.334 5.141 -12.107 1.00 0.00 C ATOM 1403 CD2 PHE A 91 20.099 4.371 -9.894 1.00 0.00 C ATOM 1404 CE1 PHE A 91 21.537 5.805 -11.749 1.00 0.00 C ATOM 1405 CE2 PHE A 91 21.303 5.035 -9.535 1.00 0.00 C ATOM 1406 CZ PHE A 91 21.996 5.737 -10.471 1.00 0.00 C ATOM 0 H PHE A 91 17.120 3.372 -14.233 1.00 0.00 H new ATOM 0 HA PHE A 91 19.256 3.121 -13.450 1.00 0.00 H new ATOM 0 HB2 PHE A 91 17.582 4.471 -11.782 1.00 0.00 H new ATOM 0 HB3 PHE A 91 17.987 3.152 -10.701 1.00 0.00 H new ATOM 0 HD1 PHE A 91 19.970 5.194 -13.122 1.00 0.00 H new ATOM 0 HD2 PHE A 91 19.548 3.812 -9.152 1.00 0.00 H new ATOM 0 HE1 PHE A 91 22.087 6.364 -12.492 1.00 0.00 H new ATOM 0 HE2 PHE A 91 21.667 4.982 -8.520 1.00 0.00 H new ATOM 0 HZ PHE A 91 22.912 6.241 -10.199 1.00 0.00 H new ATOM 1416 N MET A 92 19.479 1.371 -11.077 1.00 0.00 N ATOM 1417 CA MET A 92 19.906 0.118 -10.477 1.00 0.00 C ATOM 1418 C MET A 92 18.703 -0.753 -10.110 1.00 0.00 C ATOM 1419 O MET A 92 18.850 -1.949 -9.864 1.00 0.00 O ATOM 1420 CB MET A 92 20.730 0.407 -9.221 1.00 0.00 C ATOM 1421 CG MET A 92 19.829 0.834 -8.061 1.00 0.00 C ATOM 1422 SD MET A 92 20.818 1.499 -6.732 1.00 0.00 S ATOM 1423 CE MET A 92 20.387 0.362 -5.426 1.00 0.00 C ATOM 0 H MET A 92 19.682 2.201 -10.521 1.00 0.00 H new ATOM 0 HA MET A 92 20.513 -0.422 -11.204 1.00 0.00 H new ATOM 0 HB2 MET A 92 21.295 -0.482 -8.940 1.00 0.00 H new ATOM 0 HB3 MET A 92 21.456 1.193 -9.431 1.00 0.00 H new ATOM 0 HG2 MET A 92 19.113 1.582 -8.402 1.00 0.00 H new ATOM 0 HG3 MET A 92 19.252 -0.020 -7.704 1.00 0.00 H new ATOM 0 HE1 MET A 92 20.921 0.634 -4.516 1.00 0.00 H new ATOM 0 HE2 MET A 92 19.313 0.407 -5.244 1.00 0.00 H new ATOM 0 HE3 MET A 92 20.663 -0.651 -5.719 1.00 0.00 H new ATOM 1433 N GLY A 93 17.540 -0.119 -10.083 1.00 0.00 N ATOM 1434 CA GLY A 93 16.312 -0.820 -9.750 1.00 0.00 C ATOM 1435 C GLY A 93 15.297 0.127 -9.107 1.00 0.00 C ATOM 1436 O GLY A 93 15.557 0.695 -8.047 1.00 0.00 O ATOM 0 H GLY A 93 17.422 0.874 -10.287 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.884 -1.260 -10.651 1.00 0.00 H new ATOM 0 HA3 GLY A 93 16.531 -1.641 -9.068 1.00 0.00 H new ATOM 1440 N GLY A 94 14.161 0.267 -9.775 1.00 0.00 N ATOM 1441 CA GLY A 94 13.106 1.135 -9.282 1.00 0.00 C ATOM 1442 C GLY A 94 12.082 0.344 -8.465 1.00 0.00 C ATOM 1443 O GLY A 94 12.388 -0.733 -7.956 1.00 0.00 O ATOM 0 H GLY A 94 13.949 -0.206 -10.653 1.00 0.00 H new ATOM 0 HA2 GLY A 94 13.537 1.924 -8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 94 12.609 1.622 -10.121 1.00 0.00 H new ATOM 1447 N GLY A 95 10.888 0.910 -8.366 1.00 0.00 N ATOM 1448 CA GLY A 95 9.817 0.271 -7.619 1.00 0.00 C ATOM 1449 C GLY A 95 8.952 1.310 -6.903 1.00 0.00 C ATOM 1450 O GLY A 95 7.860 0.996 -6.433 1.00 0.00 O ATOM 0 H GLY A 95 10.638 1.803 -8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.198 -0.318 -8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.240 -0.420 -6.890 1.00 0.00 H new ATOM 1454 N PHE A 96 9.474 2.527 -6.843 1.00 0.00 N ATOM 1455 CA PHE A 96 8.763 3.614 -6.192 1.00 0.00 C ATOM 1456 C PHE A 96 8.719 4.854 -7.087 1.00 0.00 C ATOM 1457 O PHE A 96 9.728 5.537 -7.257 1.00 0.00 O ATOM 1458 CB PHE A 96 9.533 3.949 -4.913 1.00 0.00 C ATOM 1459 CG PHE A 96 10.159 2.734 -4.227 1.00 0.00 C ATOM 1460 CD1 PHE A 96 9.413 1.619 -4.004 1.00 0.00 C ATOM 1461 CD2 PHE A 96 11.463 2.768 -3.840 1.00 0.00 C ATOM 1462 CE1 PHE A 96 9.994 0.491 -3.367 1.00 0.00 C ATOM 1463 CE2 PHE A 96 12.044 1.640 -3.204 1.00 0.00 C ATOM 1464 CZ PHE A 96 11.298 0.525 -2.981 1.00 0.00 C ATOM 0 H PHE A 96 10.380 2.784 -7.234 1.00 0.00 H new ATOM 0 HA PHE A 96 7.736 3.314 -5.982 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.320 4.664 -5.152 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.858 4.441 -4.213 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.378 1.592 -4.312 1.00 0.00 H new ATOM 0 HD2 PHE A 96 12.056 3.653 -4.017 1.00 0.00 H new ATOM 0 HE1 PHE A 96 9.401 -0.394 -3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 96 13.079 1.667 -2.897 1.00 0.00 H new ATOM 0 HZ PHE A 96 11.741 -0.333 -2.498 1.00 0.00 H new ATOM 1474 N THR A 97 7.540 5.108 -7.635 1.00 0.00 N ATOM 1475 CA THR A 97 7.352 6.254 -8.509 1.00 0.00 C ATOM 1476 C THR A 97 5.959 6.854 -8.307 1.00 0.00 C ATOM 1477 O THR A 97 4.980 6.124 -8.159 1.00 0.00 O ATOM 1478 CB THR A 97 7.617 5.801 -9.946 1.00 0.00 C ATOM 1479 OG1 THR A 97 9.003 6.063 -10.142 1.00 0.00 O ATOM 1480 CG2 THR A 97 6.919 6.690 -10.978 1.00 0.00 C ATOM 0 H THR A 97 6.705 4.540 -7.491 1.00 0.00 H new ATOM 0 HA THR A 97 8.054 7.053 -8.271 1.00 0.00 H new ATOM 0 HB THR A 97 7.283 4.771 -10.070 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.475 5.983 -9.287 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.140 6.325 -11.981 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.842 6.664 -10.811 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.277 7.714 -10.878 1.00 0.00 H new ATOM 1488 N ILE A 98 5.915 8.178 -8.309 1.00 0.00 N ATOM 1489 CA ILE A 98 4.658 8.885 -8.128 1.00 0.00 C ATOM 1490 C ILE A 98 4.525 9.963 -9.206 1.00 0.00 C ATOM 1491 O ILE A 98 5.511 10.595 -9.583 1.00 0.00 O ATOM 1492 CB ILE A 98 4.548 9.426 -6.701 1.00 0.00 C ATOM 1493 CG1 ILE A 98 4.464 8.284 -5.687 1.00 0.00 C ATOM 1494 CG2 ILE A 98 3.371 10.395 -6.572 1.00 0.00 C ATOM 1495 CD1 ILE A 98 5.812 8.061 -4.999 1.00 0.00 C ATOM 0 H ILE A 98 6.729 8.780 -8.433 1.00 0.00 H new ATOM 0 HA ILE A 98 3.816 8.204 -8.252 1.00 0.00 H new ATOM 0 HB ILE A 98 5.454 9.989 -6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.704 8.512 -4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.153 7.369 -6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.315 10.765 -5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 98 3.514 11.233 -7.254 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.445 9.878 -6.822 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.724 7.244 -4.283 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.565 7.810 -5.746 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.109 8.971 -4.477 1.00 0.00 H new ATOM 1507 N ARG A 99 3.297 10.139 -9.673 1.00 0.00 N ATOM 1508 CA ARG A 99 3.023 11.130 -10.700 1.00 0.00 C ATOM 1509 C ARG A 99 1.891 12.058 -10.253 1.00 0.00 C ATOM 1510 O ARG A 99 0.804 11.596 -9.910 1.00 0.00 O ATOM 1511 CB ARG A 99 2.633 10.461 -12.020 1.00 0.00 C ATOM 1512 CG ARG A 99 1.351 9.640 -11.861 1.00 0.00 C ATOM 1513 CD ARG A 99 0.190 10.286 -12.619 1.00 0.00 C ATOM 1514 NE ARG A 99 -0.371 9.328 -13.598 1.00 0.00 N ATOM 1515 CZ ARG A 99 -1.266 9.654 -14.540 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -1.708 10.915 -14.637 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -1.720 8.719 -15.386 1.00 0.00 N ATOM 0 H ARG A 99 2.482 9.613 -9.359 1.00 0.00 H new ATOM 0 HA ARG A 99 3.933 11.709 -10.854 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.490 11.221 -12.788 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.443 9.815 -12.358 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.514 8.628 -12.232 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.098 9.555 -10.804 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.584 10.597 -11.918 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.535 11.183 -13.133 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.056 8.359 -13.553 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.363 11.627 -13.993 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.389 11.163 -15.354 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.384 7.759 -15.313 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.401 8.968 -16.103 1.00 0.00 H new ATOM 1531 N ASN A 100 2.186 13.349 -10.273 1.00 0.00 N ATOM 1532 CA ASN A 100 1.207 14.346 -9.874 1.00 0.00 C ATOM 1533 C ASN A 100 0.563 14.950 -11.123 1.00 0.00 C ATOM 1534 O ASN A 100 1.240 15.188 -12.122 1.00 0.00 O ATOM 1535 CB ASN A 100 1.866 15.481 -9.086 1.00 0.00 C ATOM 1536 CG ASN A 100 2.747 16.340 -9.996 1.00 0.00 C ATOM 1537 OD1 ASN A 100 2.287 17.238 -10.681 1.00 0.00 O ATOM 1538 ND2 ASN A 100 4.036 16.015 -9.963 1.00 0.00 N ATOM 0 H ASN A 100 3.089 13.728 -10.559 1.00 0.00 H new ATOM 0 HA ASN A 100 0.463 13.856 -9.246 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.098 16.102 -8.625 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.468 15.066 -8.278 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.706 16.529 -10.534 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.354 15.251 -9.366 1.00 0.00 H new ATOM 1545 N PRO A 101 -0.773 15.187 -11.024 1.00 0.00 N ATOM 1546 CA PRO A 101 -1.516 15.759 -12.134 1.00 0.00 C ATOM 1547 C PRO A 101 -1.226 17.254 -12.275 1.00 0.00 C ATOM 1548 O PRO A 101 -2.039 18.088 -11.879 1.00 0.00 O ATOM 1549 CB PRO A 101 -2.975 15.463 -11.824 1.00 0.00 C ATOM 1550 CG PRO A 101 -3.030 15.152 -10.337 1.00 0.00 C ATOM 1551 CD PRO A 101 -1.607 14.918 -9.856 1.00 0.00 C ATOM 0 HA PRO A 101 -1.232 15.332 -13.096 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -3.607 16.317 -12.068 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.336 14.620 -12.413 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.486 15.978 -9.791 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.645 14.271 -10.154 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.355 15.580 -9.028 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.472 13.897 -9.500 1.00 0.00 H new TER 1559 PRO A 101