USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 645 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 -152:sc= -0.218 (180deg=-1.26!) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.115 (180deg=-0.763) USER MOD Single : A 2 ASN : amide:sc= -0.0383 K(o=-0.038,f=-1.8!) USER MOD Single : A 5 HIS : no HD1:sc= -0.492 X(o=-0.49,f=-0.034) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.0426 USER MOD Single : A 15 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-3) USER MOD Single : A 16 GLN : amide:sc= -3.98! C(o=-4!,f=-6.1!) USER MOD Single : A 17 TYR OH : rot 3:sc= -1.48 USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= -0.56 (180deg=-0.63) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 159:sc= -0.861 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -120:sc= -0.245 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -14:sc= 0.62 USER MOD Single : A 59 SER OG : rot -37:sc= 0.695 USER MOD Single : A 62 CYS SG : rot -113:sc= -0.0433 USER MOD Single : A 64 LYS NZ :NH3+ -121:sc= -1.44 (180deg=-1.48) USER MOD Single : A 69 SER OG : rot 82:sc= 1.26 USER MOD Single : A 70 HIS : no HE2:sc= -3.67! C(o=-3.7!,f=-7.8!) USER MOD Single : A 74 HIS : no HD1:sc=-0.000248 K(o=-0.00025,f=-0.53) USER MOD Single : A 76 GLN : amide:sc= -0.264 K(o=-0.26,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.619 4.885 -15.563 1.00 0.00 N ATOM 2 CA MET A 1 4.949 3.476 -15.914 1.00 0.00 C ATOM 3 C MET A 1 5.334 2.701 -14.651 1.00 0.00 C ATOM 4 O MET A 1 5.817 3.256 -13.680 1.00 0.00 O ATOM 5 CB MET A 1 6.115 3.459 -16.904 1.00 0.00 C ATOM 6 CG MET A 1 5.737 4.264 -18.151 1.00 0.00 C ATOM 7 SD MET A 1 4.311 3.501 -18.966 1.00 0.00 S ATOM 8 CE MET A 1 5.116 1.956 -19.456 1.00 0.00 C ATOM 0 H1 MET A 1 4.049 5.308 -16.323 1.00 0.00 H new ATOM 0 H2 MET A 1 4.080 4.904 -14.674 1.00 0.00 H new ATOM 0 H3 MET A 1 5.498 5.429 -15.447 1.00 0.00 H new ATOM 0 HA MET A 1 4.078 3.004 -16.369 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.006 3.883 -16.441 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.357 2.433 -17.180 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.502 5.292 -17.874 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.582 4.304 -18.839 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.635 1.564 -20.352 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.170 2.144 -19.662 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.029 1.228 -18.649 1.00 0.00 H new ATOM 20 N ASN A 2 5.120 1.415 -14.668 1.00 0.00 N ATOM 21 CA ASN A 2 5.458 0.566 -13.485 1.00 0.00 C ATOM 22 C ASN A 2 5.022 1.258 -12.193 1.00 0.00 C ATOM 23 O ASN A 2 3.868 1.225 -11.809 1.00 0.00 O ATOM 24 CB ASN A 2 6.969 0.327 -13.429 1.00 0.00 C ATOM 25 CG ASN A 2 7.385 -0.613 -14.559 1.00 0.00 C ATOM 26 OD1 ASN A 2 6.566 -1.310 -15.119 1.00 0.00 O ATOM 27 ND2 ASN A 2 8.639 -0.663 -14.917 1.00 0.00 N ATOM 0 H ASN A 2 4.721 0.908 -15.458 1.00 0.00 H new ATOM 0 HA ASN A 2 4.935 -0.385 -13.584 1.00 0.00 H new ATOM 0 HB2 ASN A 2 7.500 1.275 -13.518 1.00 0.00 H new ATOM 0 HB3 ASN A 2 7.243 -0.103 -12.466 1.00 0.00 H new ATOM 0 HD21 ASN A 2 8.930 -1.289 -15.668 1.00 0.00 H new ATOM 0 HD22 ASN A 2 9.328 -0.077 -14.446 1.00 0.00 H new ATOM 34 N VAL A 3 5.947 1.877 -11.511 1.00 0.00 N ATOM 35 CA VAL A 3 5.612 2.567 -10.230 1.00 0.00 C ATOM 36 C VAL A 3 5.258 4.027 -10.495 1.00 0.00 C ATOM 37 O VAL A 3 5.701 4.624 -11.459 1.00 0.00 O ATOM 38 CB VAL A 3 6.812 2.497 -9.282 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.053 1.043 -8.880 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.064 3.042 -9.978 1.00 0.00 C ATOM 0 H VAL A 3 6.927 1.935 -11.787 1.00 0.00 H new ATOM 0 HA VAL A 3 4.755 2.071 -9.775 1.00 0.00 H new ATOM 0 HB VAL A 3 6.604 3.098 -8.397 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.907 0.989 -8.205 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.168 0.653 -8.378 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.256 0.448 -9.770 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.912 2.988 -9.296 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.275 2.447 -10.866 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.897 4.079 -10.268 1.00 0.00 H new ATOM 50 N ALA A 4 4.452 4.601 -9.642 1.00 0.00 N ATOM 51 CA ALA A 4 4.036 6.028 -9.815 1.00 0.00 C ATOM 52 C ALA A 4 4.619 6.879 -8.683 1.00 0.00 C ATOM 53 O ALA A 4 4.627 6.490 -7.529 1.00 0.00 O ATOM 54 CB ALA A 4 2.510 6.106 -9.778 1.00 0.00 C ATOM 0 H ALA A 4 4.058 4.138 -8.823 1.00 0.00 H new ATOM 0 HA ALA A 4 4.405 6.405 -10.769 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.195 7.142 -9.903 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.095 5.501 -10.584 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.150 5.731 -8.820 1.00 0.00 H new ATOM 60 N HIS A 5 5.114 8.035 -9.017 1.00 0.00 N ATOM 61 CA HIS A 5 5.715 8.935 -7.991 1.00 0.00 C ATOM 62 C HIS A 5 4.617 9.727 -7.279 1.00 0.00 C ATOM 63 O HIS A 5 3.573 10.011 -7.835 1.00 0.00 O ATOM 64 CB HIS A 5 6.674 9.910 -8.675 1.00 0.00 C ATOM 65 CG HIS A 5 7.805 9.147 -9.305 1.00 0.00 C ATOM 66 ND1 HIS A 5 8.779 9.767 -10.073 1.00 0.00 N ATOM 67 CD2 HIS A 5 8.133 7.814 -9.288 1.00 0.00 C ATOM 68 CE1 HIS A 5 9.638 8.815 -10.482 1.00 0.00 C ATOM 69 NE2 HIS A 5 9.291 7.607 -10.032 1.00 0.00 N ATOM 0 H HIS A 5 5.129 8.401 -9.969 1.00 0.00 H new ATOM 0 HA HIS A 5 6.254 8.333 -7.260 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.143 10.486 -9.433 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.063 10.623 -7.948 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.577 7.043 -8.775 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.503 9.005 -11.100 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.771 6.723 -10.198 1.00 0.00 H new ATOM 77 N TYR A 6 4.850 10.090 -6.047 1.00 0.00 N ATOM 78 CA TYR A 6 3.827 10.868 -5.290 1.00 0.00 C ATOM 79 C TYR A 6 4.507 11.695 -4.191 1.00 0.00 C ATOM 80 O TYR A 6 5.029 11.171 -3.223 1.00 0.00 O ATOM 81 CB TYR A 6 2.817 9.910 -4.664 1.00 0.00 C ATOM 82 CG TYR A 6 1.708 10.710 -4.027 1.00 0.00 C ATOM 83 CD1 TYR A 6 0.753 11.334 -4.837 1.00 0.00 C ATOM 84 CD2 TYR A 6 1.636 10.834 -2.635 1.00 0.00 C ATOM 85 CE1 TYR A 6 -0.277 12.083 -4.255 1.00 0.00 C ATOM 86 CE2 TYR A 6 0.606 11.583 -2.052 1.00 0.00 C ATOM 87 CZ TYR A 6 -0.350 12.208 -2.863 1.00 0.00 C ATOM 88 OH TYR A 6 -1.363 12.948 -2.289 1.00 0.00 O ATOM 0 H TYR A 6 5.705 9.881 -5.531 1.00 0.00 H new ATOM 0 HA TYR A 6 3.311 11.542 -5.974 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.411 9.243 -5.424 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.305 9.283 -3.918 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.810 11.238 -5.911 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.374 10.353 -2.011 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -1.015 12.564 -4.880 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.549 11.679 -0.978 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.268 12.932 -1.314 1.00 0.00 H new ATOM 98 N ARG A 7 4.492 12.990 -4.348 1.00 0.00 N ATOM 99 CA ARG A 7 5.118 13.908 -3.345 1.00 0.00 C ATOM 100 C ARG A 7 6.543 13.452 -3.015 1.00 0.00 C ATOM 101 O ARG A 7 7.013 13.580 -1.900 1.00 0.00 O ATOM 102 CB ARG A 7 4.260 13.954 -2.073 1.00 0.00 C ATOM 103 CG ARG A 7 2.881 14.534 -2.415 1.00 0.00 C ATOM 104 CD ARG A 7 1.981 14.516 -1.172 1.00 0.00 C ATOM 105 NE ARG A 7 2.520 15.460 -0.152 1.00 0.00 N ATOM 106 CZ ARG A 7 1.967 15.552 1.032 1.00 0.00 C ATOM 107 NH1 ARG A 7 0.920 14.830 1.331 1.00 0.00 N ATOM 108 NH2 ARG A 7 2.462 16.372 1.914 1.00 0.00 N ATOM 0 H ARG A 7 4.064 13.463 -5.144 1.00 0.00 H new ATOM 0 HA ARG A 7 5.172 14.910 -3.770 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.153 12.953 -1.656 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.747 14.566 -1.314 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.988 15.555 -2.782 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.422 13.954 -3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.964 14.799 -1.443 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.933 13.508 -0.760 1.00 0.00 H new ATOM 0 HE ARG A 7 3.328 16.040 -0.378 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.528 14.190 0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.495 14.907 2.255 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.277 16.940 1.682 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.035 16.447 2.837 1.00 0.00 H new ATOM 122 N GLY A 8 7.238 12.937 -3.991 1.00 0.00 N ATOM 123 CA GLY A 8 8.645 12.484 -3.765 1.00 0.00 C ATOM 124 C GLY A 8 8.662 11.022 -3.319 1.00 0.00 C ATOM 125 O GLY A 8 9.708 10.418 -3.177 1.00 0.00 O ATOM 0 H GLY A 8 6.892 12.809 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.224 12.599 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.119 13.109 -3.008 1.00 0.00 H new ATOM 129 N TYR A 9 7.511 10.446 -3.094 1.00 0.00 N ATOM 130 CA TYR A 9 7.449 9.016 -2.649 1.00 0.00 C ATOM 131 C TYR A 9 6.994 8.124 -3.800 1.00 0.00 C ATOM 132 O TYR A 9 6.086 8.447 -4.542 1.00 0.00 O ATOM 133 CB TYR A 9 6.469 8.880 -1.487 1.00 0.00 C ATOM 134 CG TYR A 9 7.069 9.512 -0.255 1.00 0.00 C ATOM 135 CD1 TYR A 9 6.960 10.891 -0.050 1.00 0.00 C ATOM 136 CD2 TYR A 9 7.736 8.715 0.683 1.00 0.00 C ATOM 137 CE1 TYR A 9 7.519 11.476 1.094 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.294 9.298 1.826 1.00 0.00 C ATOM 139 CZ TYR A 9 8.184 10.677 2.033 1.00 0.00 C ATOM 140 OH TYR A 9 8.735 11.252 3.159 1.00 0.00 O ATOM 0 H TYR A 9 6.605 10.903 -3.199 1.00 0.00 H new ATOM 0 HA TYR A 9 8.444 8.706 -2.328 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.524 9.363 -1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.250 7.828 -1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.445 11.505 -0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.820 7.650 0.524 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.437 12.541 1.252 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.810 8.683 2.549 1.00 0.00 H new ATOM 0 HH TYR A 9 9.158 10.558 3.707 1.00 0.00 H new ATOM 150 N GLU A 10 7.630 6.998 -3.946 1.00 0.00 N ATOM 151 CA GLU A 10 7.266 6.053 -5.038 1.00 0.00 C ATOM 152 C GLU A 10 6.186 5.098 -4.544 1.00 0.00 C ATOM 153 O GLU A 10 6.164 4.709 -3.391 1.00 0.00 O ATOM 154 CB GLU A 10 8.503 5.258 -5.448 1.00 0.00 C ATOM 155 CG GLU A 10 9.498 6.194 -6.132 1.00 0.00 C ATOM 156 CD GLU A 10 10.782 5.436 -6.472 1.00 0.00 C ATOM 157 OE1 GLU A 10 10.833 4.246 -6.209 1.00 0.00 O ATOM 158 OE2 GLU A 10 11.691 6.058 -6.995 1.00 0.00 O ATOM 0 H GLU A 10 8.396 6.687 -3.349 1.00 0.00 H new ATOM 0 HA GLU A 10 6.890 6.611 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.961 4.798 -4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.223 4.449 -6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.058 6.605 -7.040 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.726 7.036 -5.479 1.00 0.00 H new ATOM 165 N ILE A 11 5.289 4.726 -5.413 1.00 0.00 N ATOM 166 CA ILE A 11 4.184 3.799 -5.030 1.00 0.00 C ATOM 167 C ILE A 11 4.204 2.588 -5.942 1.00 0.00 C ATOM 168 O ILE A 11 4.249 2.706 -7.153 1.00 0.00 O ATOM 169 CB ILE A 11 2.847 4.522 -5.167 1.00 0.00 C ATOM 170 CG1 ILE A 11 2.801 5.669 -4.160 1.00 0.00 C ATOM 171 CG2 ILE A 11 1.705 3.543 -4.885 1.00 0.00 C ATOM 172 CD1 ILE A 11 1.592 6.560 -4.446 1.00 0.00 C ATOM 0 H ILE A 11 5.273 5.029 -6.387 1.00 0.00 H new ATOM 0 HA ILE A 11 4.317 3.476 -3.997 1.00 0.00 H new ATOM 0 HB ILE A 11 2.739 4.914 -6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.741 5.273 -3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.718 6.255 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.750 4.060 -4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.747 2.720 -5.598 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.803 3.151 -3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.563 7.377 -3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.671 6.968 -5.454 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.678 5.971 -4.364 1.00 0.00 H new ATOM 184 N GLU A 12 4.167 1.416 -5.363 1.00 0.00 N ATOM 185 CA GLU A 12 4.174 0.165 -6.175 1.00 0.00 C ATOM 186 C GLU A 12 2.905 -0.648 -5.855 1.00 0.00 C ATOM 187 O GLU A 12 2.699 -1.048 -4.726 1.00 0.00 O ATOM 188 CB GLU A 12 5.406 -0.662 -5.826 1.00 0.00 C ATOM 189 CG GLU A 12 5.410 -1.927 -6.689 1.00 0.00 C ATOM 190 CD GLU A 12 6.748 -2.647 -6.531 1.00 0.00 C ATOM 191 OE1 GLU A 12 7.752 -1.967 -6.398 1.00 0.00 O ATOM 192 OE2 GLU A 12 6.747 -3.866 -6.548 1.00 0.00 O ATOM 0 H GLU A 12 4.132 1.272 -4.354 1.00 0.00 H new ATOM 0 HA GLU A 12 4.196 0.415 -7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.312 -0.082 -6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.396 -0.926 -4.769 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.593 -2.585 -6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.246 -1.667 -7.735 1.00 0.00 H new ATOM 199 N PRO A 13 2.048 -0.877 -6.824 1.00 0.00 N ATOM 200 CA PRO A 13 0.780 -1.638 -6.614 1.00 0.00 C ATOM 201 C PRO A 13 1.003 -3.147 -6.475 1.00 0.00 C ATOM 202 O PRO A 13 1.965 -3.699 -6.969 1.00 0.00 O ATOM 203 CB PRO A 13 -0.040 -1.310 -7.871 1.00 0.00 C ATOM 204 CG PRO A 13 0.973 -1.041 -8.935 1.00 0.00 C ATOM 205 CD PRO A 13 2.189 -0.450 -8.227 1.00 0.00 C ATOM 0 HA PRO A 13 0.286 -1.357 -5.684 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.690 -2.141 -8.146 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.681 -0.444 -7.709 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.237 -1.958 -9.462 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.581 -0.348 -9.679 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.118 -0.818 -8.662 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.207 0.637 -8.311 1.00 0.00 H new ATOM 213 N GLY A 14 0.109 -3.814 -5.802 1.00 0.00 N ATOM 214 CA GLY A 14 0.253 -5.285 -5.625 1.00 0.00 C ATOM 215 C GLY A 14 -0.852 -5.812 -4.711 1.00 0.00 C ATOM 216 O GLY A 14 -1.817 -5.127 -4.419 1.00 0.00 O ATOM 0 H GLY A 14 -0.717 -3.403 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.203 -5.783 -6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.229 -5.514 -5.198 1.00 0.00 H new ATOM 220 N HIS A 15 -0.716 -7.026 -4.257 1.00 0.00 N ATOM 221 CA HIS A 15 -1.751 -7.620 -3.359 1.00 0.00 C ATOM 222 C HIS A 15 -1.096 -8.645 -2.433 1.00 0.00 C ATOM 223 O HIS A 15 -0.059 -9.205 -2.735 1.00 0.00 O ATOM 224 CB HIS A 15 -2.829 -8.314 -4.195 1.00 0.00 C ATOM 225 CG HIS A 15 -2.209 -9.402 -5.038 1.00 0.00 C ATOM 226 ND1 HIS A 15 -1.451 -9.124 -6.165 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.243 -10.771 -4.937 1.00 0.00 C ATOM 228 CE1 HIS A 15 -1.063 -10.299 -6.692 1.00 0.00 C ATOM 229 NE2 HIS A 15 -1.519 -11.335 -5.983 1.00 0.00 N ATOM 0 H HIS A 15 0.072 -7.638 -4.469 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.207 -6.826 -2.767 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.590 -8.739 -3.541 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.328 -7.587 -4.835 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.754 -11.325 -4.164 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.456 -10.393 -7.581 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.369 -12.327 -6.168 1.00 0.00 H new ATOM 237 N GLN A 16 -1.703 -8.896 -1.310 1.00 0.00 N ATOM 238 CA GLN A 16 -1.142 -9.886 -0.347 1.00 0.00 C ATOM 239 C GLN A 16 -2.281 -10.477 0.482 1.00 0.00 C ATOM 240 O GLN A 16 -3.322 -9.862 0.667 1.00 0.00 O ATOM 241 CB GLN A 16 -0.139 -9.202 0.580 1.00 0.00 C ATOM 242 CG GLN A 16 0.429 -10.233 1.558 1.00 0.00 C ATOM 243 CD GLN A 16 1.563 -9.605 2.367 1.00 0.00 C ATOM 244 OE1 GLN A 16 2.142 -8.618 1.963 1.00 0.00 O ATOM 245 NE2 GLN A 16 1.903 -10.140 3.508 1.00 0.00 N ATOM 0 H GLN A 16 -2.573 -8.454 -1.013 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.634 -10.678 -0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.666 -8.754 -0.003 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.624 -8.394 1.127 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.356 -10.585 2.227 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.796 -11.102 1.012 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.416 -10.970 3.847 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.655 -9.728 4.060 1.00 0.00 H new ATOM 254 N TYR A 17 -2.092 -11.672 0.977 1.00 0.00 N ATOM 255 CA TYR A 17 -3.150 -12.340 1.793 1.00 0.00 C ATOM 256 C TYR A 17 -2.737 -12.376 3.262 1.00 0.00 C ATOM 257 O TYR A 17 -1.693 -12.888 3.622 1.00 0.00 O ATOM 258 CB TYR A 17 -3.350 -13.765 1.286 1.00 0.00 C ATOM 259 CG TYR A 17 -4.455 -14.415 2.078 1.00 0.00 C ATOM 260 CD1 TYR A 17 -5.788 -14.108 1.786 1.00 0.00 C ATOM 261 CD2 TYR A 17 -4.151 -15.315 3.105 1.00 0.00 C ATOM 262 CE1 TYR A 17 -6.819 -14.702 2.519 1.00 0.00 C ATOM 263 CE2 TYR A 17 -5.183 -15.910 3.839 1.00 0.00 C ATOM 264 CZ TYR A 17 -6.518 -15.603 3.546 1.00 0.00 C ATOM 265 OH TYR A 17 -7.535 -16.191 4.269 1.00 0.00 O ATOM 0 H TYR A 17 -1.241 -12.220 0.850 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.080 -11.780 1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.602 -13.756 0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.427 -14.335 1.390 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.021 -13.412 0.994 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.121 -15.550 3.331 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.848 -14.465 2.293 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.950 -16.606 4.631 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.400 -15.908 3.906 1.00 0.00 H new ATOM 275 N ARG A 18 -3.564 -11.840 4.112 1.00 0.00 N ATOM 276 CA ARG A 18 -3.257 -11.828 5.571 1.00 0.00 C ATOM 277 C ARG A 18 -3.964 -13.000 6.248 1.00 0.00 C ATOM 278 O ARG A 18 -5.104 -13.316 5.958 1.00 0.00 O ATOM 279 CB ARG A 18 -3.748 -10.503 6.166 1.00 0.00 C ATOM 280 CG ARG A 18 -3.026 -9.325 5.497 1.00 0.00 C ATOM 281 CD ARG A 18 -1.630 -9.141 6.106 1.00 0.00 C ATOM 282 NE ARG A 18 -1.754 -8.928 7.575 1.00 0.00 N ATOM 283 CZ ARG A 18 -2.020 -7.744 8.058 1.00 0.00 C ATOM 284 NH1 ARG A 18 -2.195 -6.728 7.255 1.00 0.00 N ATOM 285 NH2 ARG A 18 -2.117 -7.579 9.345 1.00 0.00 N ATOM 0 H ARG A 18 -4.450 -11.404 3.857 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.183 -11.924 5.731 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.824 -10.408 6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.566 -10.488 7.241 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.942 -9.503 4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.609 -8.413 5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.015 -10.019 5.905 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.130 -8.289 5.645 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.630 -9.716 8.211 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.124 -6.858 6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.403 -5.805 7.637 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.985 -8.373 9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.325 -6.656 9.727 1.00 0.00 H new ATOM 299 N ASP A 19 -3.281 -13.650 7.145 1.00 0.00 N ATOM 300 CA ASP A 19 -3.875 -14.814 7.861 1.00 0.00 C ATOM 301 C ASP A 19 -4.644 -14.318 9.088 1.00 0.00 C ATOM 302 O ASP A 19 -5.549 -14.965 9.578 1.00 0.00 O ATOM 303 CB ASP A 19 -2.744 -15.739 8.316 1.00 0.00 C ATOM 304 CG ASP A 19 -2.116 -16.423 7.101 1.00 0.00 C ATOM 305 OD1 ASP A 19 -2.687 -16.320 6.028 1.00 0.00 O ATOM 306 OD2 ASP A 19 -1.077 -17.041 7.265 1.00 0.00 O ATOM 0 H ASP A 19 -2.325 -13.423 7.417 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.555 -15.350 7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.988 -15.167 8.854 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.130 -16.488 9.008 1.00 0.00 H new ATOM 311 N ASP A 20 -4.284 -13.168 9.585 1.00 0.00 N ATOM 312 CA ASP A 20 -4.983 -12.611 10.783 1.00 0.00 C ATOM 313 C ASP A 20 -6.452 -12.344 10.441 1.00 0.00 C ATOM 314 O ASP A 20 -7.351 -12.672 11.192 1.00 0.00 O ATOM 315 CB ASP A 20 -4.314 -11.295 11.178 1.00 0.00 C ATOM 316 CG ASP A 20 -4.995 -10.721 12.422 1.00 0.00 C ATOM 317 OD1 ASP A 20 -5.965 -11.311 12.867 1.00 0.00 O ATOM 318 OD2 ASP A 20 -4.530 -9.705 12.910 1.00 0.00 O ATOM 0 H ASP A 20 -3.533 -12.586 9.214 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.925 -13.323 11.606 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.255 -11.460 11.375 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.378 -10.583 10.356 1.00 0.00 H new ATOM 323 N ILE A 21 -6.697 -11.754 9.301 1.00 0.00 N ATOM 324 CA ILE A 21 -8.101 -11.454 8.875 1.00 0.00 C ATOM 325 C ILE A 21 -8.508 -12.435 7.781 1.00 0.00 C ATOM 326 O ILE A 21 -9.541 -12.289 7.157 1.00 0.00 O ATOM 327 CB ILE A 21 -8.186 -10.018 8.353 1.00 0.00 C ATOM 328 CG1 ILE A 21 -7.077 -9.768 7.326 1.00 0.00 C ATOM 329 CG2 ILE A 21 -8.022 -9.051 9.525 1.00 0.00 C ATOM 330 CD1 ILE A 21 -7.327 -8.430 6.624 1.00 0.00 C ATOM 0 H ILE A 21 -5.978 -11.463 8.638 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.776 -11.558 9.725 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.153 -9.863 7.876 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.105 -9.757 7.819 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.054 -10.576 6.595 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.081 -8.025 9.161 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.814 -9.224 10.253 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.053 -9.213 9.997 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.539 -8.250 5.893 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.292 -8.459 6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.328 -7.627 7.361 1.00 0.00 H new ATOM 342 N ARG A 22 -7.699 -13.444 7.559 1.00 0.00 N ATOM 343 CA ARG A 22 -8.004 -14.476 6.513 1.00 0.00 C ATOM 344 C ARG A 22 -8.687 -13.835 5.298 1.00 0.00 C ATOM 345 O ARG A 22 -9.623 -14.372 4.734 1.00 0.00 O ATOM 346 CB ARG A 22 -8.900 -15.578 7.098 1.00 0.00 C ATOM 347 CG ARG A 22 -10.189 -14.978 7.669 1.00 0.00 C ATOM 348 CD ARG A 22 -11.128 -16.103 8.098 1.00 0.00 C ATOM 349 NE ARG A 22 -12.365 -15.520 8.696 1.00 0.00 N ATOM 350 CZ ARG A 22 -13.373 -15.171 7.940 1.00 0.00 C ATOM 351 NH1 ARG A 22 -13.305 -15.312 6.644 1.00 0.00 N ATOM 352 NH2 ARG A 22 -14.449 -14.677 8.485 1.00 0.00 N ATOM 0 H ARG A 22 -6.827 -13.599 8.065 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.063 -14.919 6.187 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.143 -16.306 6.324 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.363 -16.113 7.881 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.959 -14.338 8.520 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.674 -14.351 6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.384 -16.724 7.240 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.631 -16.749 8.822 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.425 -15.392 9.706 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.462 -15.696 6.216 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.094 -15.038 6.059 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.502 -14.564 9.497 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.238 -14.403 7.899 1.00 0.00 H new ATOM 366 N LYS A 23 -8.217 -12.689 4.890 1.00 0.00 N ATOM 367 CA LYS A 23 -8.822 -11.994 3.709 1.00 0.00 C ATOM 368 C LYS A 23 -7.751 -11.228 2.935 1.00 0.00 C ATOM 369 O LYS A 23 -6.683 -10.928 3.439 1.00 0.00 O ATOM 370 CB LYS A 23 -9.914 -11.025 4.175 1.00 0.00 C ATOM 371 CG LYS A 23 -11.172 -11.813 4.537 1.00 0.00 C ATOM 372 CD LYS A 23 -12.257 -10.852 5.020 1.00 0.00 C ATOM 373 CE LYS A 23 -13.550 -11.630 5.282 1.00 0.00 C ATOM 374 NZ LYS A 23 -13.436 -12.362 6.575 1.00 0.00 N ATOM 0 H LYS A 23 -7.435 -12.198 5.324 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.262 -12.745 3.053 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.567 -10.457 5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.137 -10.305 3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.526 -12.371 3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.945 -12.542 5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.932 -10.348 5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.431 -10.078 4.272 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.398 -10.946 5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.735 -12.332 4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.262 -12.982 6.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.569 -12.936 6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.398 -11.679 7.358 1.00 0.00 H new ATOM 388 N TYR A 24 -8.045 -10.913 1.705 1.00 0.00 N ATOM 389 CA TYR A 24 -7.074 -10.168 0.859 1.00 0.00 C ATOM 390 C TYR A 24 -7.220 -8.678 1.098 1.00 0.00 C ATOM 391 O TYR A 24 -8.316 -8.150 1.183 1.00 0.00 O ATOM 392 CB TYR A 24 -7.352 -10.468 -0.614 1.00 0.00 C ATOM 393 CG TYR A 24 -7.017 -11.909 -0.896 1.00 0.00 C ATOM 394 CD1 TYR A 24 -7.969 -12.910 -0.667 1.00 0.00 C ATOM 395 CD2 TYR A 24 -5.750 -12.245 -1.380 1.00 0.00 C ATOM 396 CE1 TYR A 24 -7.651 -14.249 -0.925 1.00 0.00 C ATOM 397 CE2 TYR A 24 -5.431 -13.582 -1.638 1.00 0.00 C ATOM 398 CZ TYR A 24 -6.381 -14.584 -1.411 1.00 0.00 C ATOM 399 OH TYR A 24 -6.066 -15.904 -1.664 1.00 0.00 O ATOM 0 H TYR A 24 -8.926 -11.143 1.246 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.062 -10.479 1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.399 -10.273 -0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.757 -9.812 -1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.948 -12.650 -0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.017 -11.472 -1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.384 -15.022 -0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.452 -13.841 -2.012 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.146 -15.963 -1.997 1.00 0.00 H new ATOM 409 N VAL A 25 -6.115 -7.988 1.200 1.00 0.00 N ATOM 410 CA VAL A 25 -6.172 -6.516 1.427 1.00 0.00 C ATOM 411 C VAL A 25 -5.100 -5.821 0.579 1.00 0.00 C ATOM 412 O VAL A 25 -4.068 -6.394 0.291 1.00 0.00 O ATOM 413 CB VAL A 25 -5.931 -6.210 2.909 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.205 -6.502 3.701 1.00 0.00 C ATOM 415 CG2 VAL A 25 -4.787 -7.079 3.437 1.00 0.00 C ATOM 0 H VAL A 25 -5.176 -8.381 1.136 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.157 -6.148 1.139 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.664 -5.159 3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.036 -6.285 4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.017 -5.877 3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.473 -7.552 3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.619 -6.858 4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.047 -8.131 3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.879 -6.867 2.873 1.00 0.00 H new ATOM 425 N PRO A 26 -5.333 -4.588 0.195 1.00 0.00 N ATOM 426 CA PRO A 26 -4.363 -3.810 -0.620 1.00 0.00 C ATOM 427 C PRO A 26 -2.929 -3.939 -0.094 1.00 0.00 C ATOM 428 O PRO A 26 -2.668 -3.838 1.090 1.00 0.00 O ATOM 429 CB PRO A 26 -4.858 -2.358 -0.487 1.00 0.00 C ATOM 430 CG PRO A 26 -6.324 -2.456 -0.185 1.00 0.00 C ATOM 431 CD PRO A 26 -6.557 -3.817 0.474 1.00 0.00 C ATOM 0 HA PRO A 26 -4.323 -4.164 -1.650 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.328 -1.835 0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.684 -1.799 -1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.636 -1.649 0.478 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.912 -2.364 -1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -6.723 -3.713 1.546 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.437 -4.310 0.061 1.00 0.00 H new ATOM 439 N TYR A 27 -1.997 -4.164 -0.978 1.00 0.00 N ATOM 440 CA TYR A 27 -0.572 -4.308 -0.554 1.00 0.00 C ATOM 441 C TYR A 27 0.334 -3.612 -1.564 1.00 0.00 C ATOM 442 O TYR A 27 0.439 -4.018 -2.708 1.00 0.00 O ATOM 443 CB TYR A 27 -0.215 -5.791 -0.481 1.00 0.00 C ATOM 444 CG TYR A 27 1.228 -5.943 -0.069 1.00 0.00 C ATOM 445 CD1 TYR A 27 1.564 -5.991 1.289 1.00 0.00 C ATOM 446 CD2 TYR A 27 2.229 -6.034 -1.042 1.00 0.00 C ATOM 447 CE1 TYR A 27 2.901 -6.131 1.672 1.00 0.00 C ATOM 448 CE2 TYR A 27 3.569 -6.171 -0.658 1.00 0.00 C ATOM 449 CZ TYR A 27 3.905 -6.220 0.701 1.00 0.00 C ATOM 450 OH TYR A 27 5.224 -6.352 1.082 1.00 0.00 O ATOM 0 H TYR A 27 -2.160 -4.255 -1.981 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.434 -3.852 0.426 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.863 -6.297 0.234 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.379 -6.263 -1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.791 -5.920 2.040 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.968 -5.999 -2.090 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.160 -6.171 2.720 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.342 -6.239 -1.409 1.00 0.00 H new ATOM 0 HH TYR A 27 5.743 -6.727 0.340 1.00 0.00 H new ATOM 460 N ALA A 28 0.986 -2.564 -1.147 1.00 0.00 N ATOM 461 CA ALA A 28 1.898 -1.821 -2.074 1.00 0.00 C ATOM 462 C ALA A 28 3.174 -1.432 -1.323 1.00 0.00 C ATOM 463 O ALA A 28 3.172 -1.236 -0.123 1.00 0.00 O ATOM 464 CB ALA A 28 1.191 -0.559 -2.595 1.00 0.00 C ATOM 0 H ALA A 28 0.930 -2.185 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 28 2.156 -2.457 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.857 -0.021 -3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.286 -0.844 -3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.928 0.084 -1.755 1.00 0.00 H new ATOM 470 N LEU A 29 4.262 -1.323 -2.032 1.00 0.00 N ATOM 471 CA LEU A 29 5.560 -0.953 -1.391 1.00 0.00 C ATOM 472 C LEU A 29 5.855 0.521 -1.653 1.00 0.00 C ATOM 473 O LEU A 29 5.820 0.989 -2.778 1.00 0.00 O ATOM 474 CB LEU A 29 6.676 -1.813 -1.992 1.00 0.00 C ATOM 475 CG LEU A 29 6.342 -3.296 -1.796 1.00 0.00 C ATOM 476 CD1 LEU A 29 7.382 -4.156 -2.520 1.00 0.00 C ATOM 477 CD2 LEU A 29 6.346 -3.640 -0.296 1.00 0.00 C ATOM 0 H LEU A 29 4.311 -1.476 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 29 5.502 -1.123 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.788 -1.592 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.628 -1.578 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 29 5.353 -3.497 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.143 -5.210 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.372 -3.920 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.372 -3.951 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.108 -4.695 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.332 -3.436 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.601 -3.033 0.218 1.00 0.00 H new ATOM 489 N ILE A 30 6.142 1.253 -0.610 1.00 0.00 N ATOM 490 CA ILE A 30 6.443 2.712 -0.747 1.00 0.00 C ATOM 491 C ILE A 30 7.928 2.945 -0.501 1.00 0.00 C ATOM 492 O ILE A 30 8.488 2.489 0.479 1.00 0.00 O ATOM 493 CB ILE A 30 5.628 3.499 0.276 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.138 3.303 -0.011 1.00 0.00 C ATOM 495 CG2 ILE A 30 5.979 4.981 0.165 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.313 3.853 1.155 1.00 0.00 C ATOM 0 H ILE A 30 6.182 0.899 0.346 1.00 0.00 H new ATOM 0 HA ILE A 30 6.182 3.046 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 30 5.855 3.146 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.865 3.813 -0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.921 2.245 -0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.399 5.548 0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.042 5.119 0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.746 5.336 -0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.252 3.712 0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.578 3.323 2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.521 4.916 1.278 1.00 0.00 H new ATOM 508 N ARG A 31 8.572 3.646 -1.395 1.00 0.00 N ATOM 509 CA ARG A 31 10.038 3.911 -1.253 1.00 0.00 C ATOM 510 C ARG A 31 10.269 5.413 -1.109 1.00 0.00 C ATOM 511 O ARG A 31 9.688 6.220 -1.811 1.00 0.00 O ATOM 512 CB ARG A 31 10.771 3.391 -2.507 1.00 0.00 C ATOM 513 CG ARG A 31 10.080 2.131 -3.051 1.00 0.00 C ATOM 514 CD ARG A 31 10.220 0.981 -2.051 1.00 0.00 C ATOM 515 NE ARG A 31 11.648 0.558 -1.991 1.00 0.00 N ATOM 516 CZ ARG A 31 11.975 -0.613 -1.517 1.00 0.00 C ATOM 517 NH1 ARG A 31 11.053 -1.439 -1.103 1.00 0.00 N ATOM 518 NH2 ARG A 31 13.230 -0.959 -1.458 1.00 0.00 N ATOM 0 H ARG A 31 8.143 4.051 -2.227 1.00 0.00 H new ATOM 0 HA ARG A 31 10.422 3.401 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.785 4.165 -3.274 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.809 3.166 -2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.026 2.336 -3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.522 1.848 -4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.880 1.297 -1.065 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.592 0.143 -2.352 1.00 0.00 H new ATOM 0 HE ARG A 31 12.376 1.190 -2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.070 -1.171 -1.149 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.316 -2.353 -0.734 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.952 -0.315 -1.782 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.490 -1.873 -1.088 1.00 0.00 H new ATOM 532 N LYS A 32 11.118 5.788 -0.196 1.00 0.00 N ATOM 533 CA LYS A 32 11.411 7.232 0.028 1.00 0.00 C ATOM 534 C LYS A 32 12.746 7.584 -0.625 1.00 0.00 C ATOM 535 O LYS A 32 13.788 7.065 -0.272 1.00 0.00 O ATOM 536 CB LYS A 32 11.482 7.502 1.531 1.00 0.00 C ATOM 537 CG LYS A 32 11.741 8.989 1.776 1.00 0.00 C ATOM 538 CD LYS A 32 11.762 9.267 3.280 1.00 0.00 C ATOM 539 CE LYS A 32 12.006 10.759 3.518 1.00 0.00 C ATOM 540 NZ LYS A 32 12.012 11.034 4.982 1.00 0.00 N ATOM 0 H LYS A 32 11.629 5.148 0.413 1.00 0.00 H new ATOM 0 HA LYS A 32 10.623 7.843 -0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.549 7.202 2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.276 6.906 1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.691 9.281 1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.966 9.587 1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.816 8.966 3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.544 8.678 3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.957 11.058 3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.229 11.348 3.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.178 12.048 5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.094 10.764 5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.768 10.483 5.436 1.00 0.00 H new ATOM 554 N VAL A 33 12.714 8.467 -1.578 1.00 0.00 N ATOM 555 CA VAL A 33 13.966 8.872 -2.275 1.00 0.00 C ATOM 556 C VAL A 33 14.759 9.842 -1.398 1.00 0.00 C ATOM 557 O VAL A 33 14.301 10.918 -1.062 1.00 0.00 O ATOM 558 CB VAL A 33 13.603 9.557 -3.592 1.00 0.00 C ATOM 559 CG1 VAL A 33 14.849 9.670 -4.471 1.00 0.00 C ATOM 560 CG2 VAL A 33 12.539 8.730 -4.317 1.00 0.00 C ATOM 0 H VAL A 33 11.868 8.931 -1.909 1.00 0.00 H new ATOM 0 HA VAL A 33 14.575 7.990 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 33 13.214 10.554 -3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.589 10.159 -5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.607 10.258 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.241 8.674 -4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.278 9.216 -5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.929 7.733 -4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.650 8.651 -3.691 1.00 0.00 H new ATOM 570 N GLY A 34 15.950 9.463 -1.034 1.00 0.00 N ATOM 571 CA GLY A 34 16.809 10.338 -0.180 1.00 0.00 C ATOM 572 C GLY A 34 17.406 9.505 0.947 1.00 0.00 C ATOM 573 O GLY A 34 18.445 9.833 1.487 1.00 0.00 O ATOM 0 H GLY A 34 16.374 8.572 -1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 34 17.603 10.784 -0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.220 11.158 0.230 1.00 0.00 H new ATOM 577 N VAL A 35 16.759 8.423 1.311 1.00 0.00 N ATOM 578 CA VAL A 35 17.294 7.568 2.416 1.00 0.00 C ATOM 579 C VAL A 35 17.941 6.291 1.841 1.00 0.00 C ATOM 580 O VAL A 35 17.324 5.573 1.080 1.00 0.00 O ATOM 581 CB VAL A 35 16.156 7.174 3.364 1.00 0.00 C ATOM 582 CG1 VAL A 35 15.834 8.362 4.271 1.00 0.00 C ATOM 583 CG2 VAL A 35 14.910 6.792 2.563 1.00 0.00 C ATOM 0 H VAL A 35 15.888 8.097 0.892 1.00 0.00 H new ATOM 0 HA VAL A 35 18.047 8.136 2.961 1.00 0.00 H new ATOM 0 HB VAL A 35 16.465 6.318 3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 35 15.025 8.093 4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 35 16.719 8.629 4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 35 15.528 9.213 3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 35 14.109 6.514 3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 35 14.592 7.641 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.140 5.948 1.912 1.00 0.00 H new ATOM 593 N PRO A 36 19.170 5.996 2.208 1.00 0.00 N ATOM 594 CA PRO A 36 19.878 4.771 1.733 1.00 0.00 C ATOM 595 C PRO A 36 19.043 3.491 1.916 1.00 0.00 C ATOM 596 O PRO A 36 17.839 3.521 2.069 1.00 0.00 O ATOM 597 CB PRO A 36 21.137 4.704 2.620 1.00 0.00 C ATOM 598 CG PRO A 36 21.387 6.108 3.061 1.00 0.00 C ATOM 599 CD PRO A 36 20.030 6.803 3.093 1.00 0.00 C ATOM 0 HA PRO A 36 20.089 4.828 0.665 1.00 0.00 H new ATOM 0 HB2 PRO A 36 20.981 4.046 3.475 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.988 4.309 2.065 1.00 0.00 H new ATOM 0 HG2 PRO A 36 21.855 6.127 4.045 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.066 6.615 2.375 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.629 6.841 4.106 1.00 0.00 H new ATOM 0 HD3 PRO A 36 20.105 7.832 2.741 1.00 0.00 H new ATOM 607 N ASP A 37 19.698 2.365 1.893 1.00 0.00 N ATOM 608 CA ASP A 37 18.983 1.065 2.060 1.00 0.00 C ATOM 609 C ASP A 37 18.322 0.986 3.438 1.00 0.00 C ATOM 610 O ASP A 37 18.837 1.480 4.425 1.00 0.00 O ATOM 611 CB ASP A 37 19.983 -0.080 1.912 1.00 0.00 C ATOM 612 CG ASP A 37 20.402 -0.211 0.449 1.00 0.00 C ATOM 613 OD1 ASP A 37 19.721 0.348 -0.396 1.00 0.00 O ATOM 614 OD2 ASP A 37 21.396 -0.871 0.193 1.00 0.00 O ATOM 0 H ASP A 37 20.707 2.287 1.765 1.00 0.00 H new ATOM 0 HA ASP A 37 18.209 0.988 1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 37 20.858 0.105 2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 37 19.537 -1.012 2.258 1.00 0.00 H new ATOM 619 N ARG A 38 17.176 0.367 3.506 1.00 0.00 N ATOM 620 CA ARG A 38 16.461 0.248 4.813 1.00 0.00 C ATOM 621 C ARG A 38 15.428 -0.879 4.754 1.00 0.00 C ATOM 622 O ARG A 38 15.354 -1.633 3.800 1.00 0.00 O ATOM 623 CB ARG A 38 15.751 1.570 5.130 1.00 0.00 C ATOM 624 CG ARG A 38 15.239 2.205 3.832 1.00 0.00 C ATOM 625 CD ARG A 38 14.340 1.218 3.076 1.00 0.00 C ATOM 626 NE ARG A 38 13.569 1.946 2.032 1.00 0.00 N ATOM 627 CZ ARG A 38 12.830 1.292 1.177 1.00 0.00 C ATOM 628 NH1 ARG A 38 12.770 -0.013 1.216 1.00 0.00 N ATOM 629 NH2 ARG A 38 12.153 1.944 0.282 1.00 0.00 N ATOM 0 H ARG A 38 16.701 -0.063 2.713 1.00 0.00 H new ATOM 0 HA ARG A 38 17.189 0.022 5.592 1.00 0.00 H new ATOM 0 HB2 ARG A 38 14.920 1.393 5.812 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.437 2.251 5.633 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.682 3.114 4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 38 16.081 2.495 3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.946 0.437 2.617 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.658 0.726 3.770 1.00 0.00 H new ATOM 0 HE ARG A 38 13.618 2.964 1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.303 -0.527 1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.191 -0.517 0.545 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.200 2.962 0.249 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.574 1.438 -0.388 1.00 0.00 H new ATOM 643 N THR A 39 14.629 -0.992 5.781 1.00 0.00 N ATOM 644 CA THR A 39 13.595 -2.062 5.814 1.00 0.00 C ATOM 645 C THR A 39 12.331 -1.584 5.069 1.00 0.00 C ATOM 646 O THR A 39 11.855 -0.488 5.296 1.00 0.00 O ATOM 647 CB THR A 39 13.242 -2.379 7.267 1.00 0.00 C ATOM 648 OG1 THR A 39 14.438 -2.668 7.975 1.00 0.00 O ATOM 649 CG2 THR A 39 12.308 -3.595 7.320 1.00 0.00 C ATOM 0 H THR A 39 14.650 -0.386 6.601 1.00 0.00 H new ATOM 0 HA THR A 39 13.982 -2.957 5.328 1.00 0.00 H new ATOM 0 HB THR A 39 12.739 -1.524 7.719 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.224 -2.871 8.909 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.059 -3.818 8.358 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.395 -3.377 6.766 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.806 -4.456 6.874 1.00 0.00 H new ATOM 657 N PRO A 40 11.789 -2.388 4.183 1.00 0.00 N ATOM 658 CA PRO A 40 10.572 -2.017 3.401 1.00 0.00 C ATOM 659 C PRO A 40 9.301 -2.030 4.250 1.00 0.00 C ATOM 660 O PRO A 40 9.025 -2.972 4.968 1.00 0.00 O ATOM 661 CB PRO A 40 10.512 -3.093 2.305 1.00 0.00 C ATOM 662 CG PRO A 40 11.187 -4.284 2.903 1.00 0.00 C ATOM 663 CD PRO A 40 12.267 -3.735 3.829 1.00 0.00 C ATOM 0 HA PRO A 40 10.631 -1.000 3.012 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.482 -3.319 2.029 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.020 -2.764 1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.476 -4.899 3.455 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.622 -4.916 2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.388 -4.360 4.714 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.236 -3.696 3.331 1.00 0.00 H new ATOM 671 N ILE A 41 8.521 -0.983 4.156 1.00 0.00 N ATOM 672 CA ILE A 41 7.251 -0.903 4.941 1.00 0.00 C ATOM 673 C ILE A 41 6.052 -0.909 3.982 1.00 0.00 C ATOM 674 O ILE A 41 5.797 0.065 3.300 1.00 0.00 O ATOM 675 CB ILE A 41 7.247 0.385 5.760 1.00 0.00 C ATOM 676 CG1 ILE A 41 8.529 0.450 6.602 1.00 0.00 C ATOM 677 CG2 ILE A 41 6.027 0.396 6.685 1.00 0.00 C ATOM 678 CD1 ILE A 41 8.694 -0.830 7.445 1.00 0.00 C ATOM 0 H ILE A 41 8.711 -0.174 3.565 1.00 0.00 H new ATOM 0 HA ILE A 41 7.179 -1.761 5.610 1.00 0.00 H new ATOM 0 HB ILE A 41 7.203 1.246 5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.393 0.575 5.949 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.496 1.321 7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.023 1.315 7.271 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.117 0.342 6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.072 -0.462 7.356 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.609 -0.762 8.034 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.840 -0.938 8.113 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.750 -1.696 6.785 1.00 0.00 H new ATOM 690 N PRO A 42 5.327 -2.005 3.911 1.00 0.00 N ATOM 691 CA PRO A 42 4.153 -2.128 3.008 1.00 0.00 C ATOM 692 C PRO A 42 2.933 -1.372 3.538 1.00 0.00 C ATOM 693 O PRO A 42 2.721 -1.270 4.731 1.00 0.00 O ATOM 694 CB PRO A 42 3.896 -3.642 2.951 1.00 0.00 C ATOM 695 CG PRO A 42 4.423 -4.184 4.242 1.00 0.00 C ATOM 696 CD PRO A 42 5.540 -3.241 4.690 1.00 0.00 C ATOM 0 HA PRO A 42 4.340 -1.691 2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.833 -3.856 2.840 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.403 -4.095 2.099 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.634 -4.233 4.992 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.802 -5.198 4.111 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.488 -3.047 5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.522 -3.669 4.491 1.00 0.00 H new ATOM 704 N THR A 43 2.135 -0.840 2.652 1.00 0.00 N ATOM 705 CA THR A 43 0.922 -0.075 3.075 1.00 0.00 C ATOM 706 C THR A 43 -0.333 -0.886 2.763 1.00 0.00 C ATOM 707 O THR A 43 -0.493 -1.427 1.679 1.00 0.00 O ATOM 708 CB THR A 43 0.875 1.262 2.335 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.423 1.822 2.457 1.00 0.00 O ATOM 710 CG2 THR A 43 1.207 1.058 0.854 1.00 0.00 C ATOM 0 H THR A 43 2.271 -0.902 1.643 1.00 0.00 H new ATOM 0 HA THR A 43 0.968 0.111 4.148 1.00 0.00 H new ATOM 0 HB THR A 43 1.610 1.937 2.772 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.814 1.939 1.566 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.170 2.017 0.337 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.207 0.633 0.760 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.481 0.378 0.409 1.00 0.00 H new ATOM 718 N THR A 44 -1.216 -0.981 3.723 1.00 0.00 N ATOM 719 CA THR A 44 -2.479 -1.758 3.534 1.00 0.00 C ATOM 720 C THR A 44 -3.650 -0.974 4.103 1.00 0.00 C ATOM 721 O THR A 44 -3.476 -0.002 4.817 1.00 0.00 O ATOM 722 CB THR A 44 -2.370 -3.103 4.255 1.00 0.00 C ATOM 723 OG1 THR A 44 -2.364 -2.893 5.662 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.076 -3.798 3.837 1.00 0.00 C ATOM 0 H THR A 44 -1.115 -0.548 4.641 1.00 0.00 H new ATOM 0 HA THR A 44 -2.638 -1.929 2.469 1.00 0.00 H new ATOM 0 HB THR A 44 -3.223 -3.728 3.988 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.296 -3.756 6.121 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.996 -4.757 4.349 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.083 -3.962 2.759 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.224 -3.172 4.103 1.00 0.00 H new ATOM 732 N TYR A 45 -4.848 -1.392 3.789 1.00 0.00 N ATOM 733 CA TYR A 45 -6.059 -0.685 4.299 1.00 0.00 C ATOM 734 C TYR A 45 -7.041 -1.726 4.884 1.00 0.00 C ATOM 735 O TYR A 45 -7.199 -2.800 4.338 1.00 0.00 O ATOM 736 CB TYR A 45 -6.730 0.070 3.132 1.00 0.00 C ATOM 737 CG TYR A 45 -7.374 1.340 3.649 1.00 0.00 C ATOM 738 CD1 TYR A 45 -6.571 2.348 4.195 1.00 0.00 C ATOM 739 CD2 TYR A 45 -8.764 1.506 3.593 1.00 0.00 C ATOM 740 CE1 TYR A 45 -7.155 3.523 4.682 1.00 0.00 C ATOM 741 CE2 TYR A 45 -9.348 2.682 4.082 1.00 0.00 C ATOM 742 CZ TYR A 45 -8.544 3.689 4.626 1.00 0.00 C ATOM 743 OH TYR A 45 -9.120 4.847 5.107 1.00 0.00 O ATOM 0 H TYR A 45 -5.040 -2.199 3.196 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.780 0.026 5.077 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.990 0.311 2.369 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.481 -0.564 2.660 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.500 2.219 4.241 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.385 0.728 3.173 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.534 4.301 5.101 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.419 2.811 4.039 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.092 4.801 4.992 1.00 0.00 H new ATOM 753 N PRO A 46 -7.713 -1.408 5.967 1.00 0.00 N ATOM 754 CA PRO A 46 -8.700 -2.337 6.592 1.00 0.00 C ATOM 755 C PRO A 46 -9.633 -2.960 5.542 1.00 0.00 C ATOM 756 O PRO A 46 -10.040 -4.104 5.647 1.00 0.00 O ATOM 757 CB PRO A 46 -9.498 -1.420 7.535 1.00 0.00 C ATOM 758 CG PRO A 46 -8.560 -0.314 7.902 1.00 0.00 C ATOM 759 CD PRO A 46 -7.597 -0.150 6.725 1.00 0.00 C ATOM 0 HA PRO A 46 -8.221 -3.176 7.097 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.390 -1.032 7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.832 -1.962 8.420 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.106 0.611 8.088 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.017 -0.554 8.816 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.866 0.709 6.110 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.575 0.012 7.069 1.00 0.00 H new ATOM 767 N GLU A 47 -9.973 -2.205 4.534 1.00 0.00 N ATOM 768 CA GLU A 47 -10.882 -2.727 3.471 1.00 0.00 C ATOM 769 C GLU A 47 -10.220 -3.895 2.745 1.00 0.00 C ATOM 770 O GLU A 47 -9.019 -3.919 2.547 1.00 0.00 O ATOM 771 CB GLU A 47 -11.180 -1.610 2.469 1.00 0.00 C ATOM 772 CG GLU A 47 -12.039 -0.544 3.150 1.00 0.00 C ATOM 773 CD GLU A 47 -12.261 0.638 2.201 1.00 0.00 C ATOM 774 OE1 GLU A 47 -11.770 0.578 1.086 1.00 0.00 O ATOM 775 OE2 GLU A 47 -12.921 1.580 2.607 1.00 0.00 O ATOM 0 H GLU A 47 -9.659 -1.244 4.399 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.809 -3.071 3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.250 -1.170 2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.700 -2.013 1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.998 -0.971 3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.551 -0.201 4.063 1.00 0.00 H new ATOM 782 N PHE A 48 -11.004 -4.866 2.351 1.00 0.00 N ATOM 783 CA PHE A 48 -10.452 -6.059 1.637 1.00 0.00 C ATOM 784 C PHE A 48 -11.184 -6.254 0.310 1.00 0.00 C ATOM 785 O PHE A 48 -12.353 -5.948 0.175 1.00 0.00 O ATOM 786 CB PHE A 48 -10.626 -7.310 2.518 1.00 0.00 C ATOM 787 CG PHE A 48 -11.880 -7.184 3.359 1.00 0.00 C ATOM 788 CD1 PHE A 48 -13.139 -7.427 2.796 1.00 0.00 C ATOM 789 CD2 PHE A 48 -11.776 -6.836 4.713 1.00 0.00 C ATOM 790 CE1 PHE A 48 -14.292 -7.323 3.587 1.00 0.00 C ATOM 791 CE2 PHE A 48 -12.926 -6.730 5.501 1.00 0.00 C ATOM 792 CZ PHE A 48 -14.185 -6.973 4.939 1.00 0.00 C ATOM 0 H PHE A 48 -12.014 -4.884 2.495 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.392 -5.902 1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.687 -8.200 1.892 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -9.757 -7.433 3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -13.222 -7.694 1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -10.805 -6.649 5.148 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -15.263 -7.513 3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -12.843 -6.461 6.544 1.00 0.00 H new ATOM 0 HZ PHE A 48 -15.073 -6.891 5.548 1.00 0.00 H new ATOM 802 N TYR A 49 -10.487 -6.763 -0.668 1.00 0.00 N ATOM 803 CA TYR A 49 -11.106 -6.997 -2.005 1.00 0.00 C ATOM 804 C TYR A 49 -10.694 -8.375 -2.524 1.00 0.00 C ATOM 805 O TYR A 49 -9.529 -8.729 -2.547 1.00 0.00 O ATOM 806 CB TYR A 49 -10.634 -5.916 -2.976 1.00 0.00 C ATOM 807 CG TYR A 49 -11.160 -4.577 -2.519 1.00 0.00 C ATOM 808 CD1 TYR A 49 -10.464 -3.844 -1.550 1.00 0.00 C ATOM 809 CD2 TYR A 49 -12.343 -4.070 -3.064 1.00 0.00 C ATOM 810 CE1 TYR A 49 -10.956 -2.602 -1.126 1.00 0.00 C ATOM 811 CE2 TYR A 49 -12.835 -2.830 -2.641 1.00 0.00 C ATOM 812 CZ TYR A 49 -12.141 -2.095 -1.673 1.00 0.00 C ATOM 813 OH TYR A 49 -12.623 -0.872 -1.257 1.00 0.00 O ATOM 0 H TYR A 49 -9.505 -7.030 -0.598 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.192 -6.957 -1.919 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.545 -5.898 -3.018 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.988 -6.135 -3.983 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.549 -4.235 -1.130 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -12.878 -4.636 -3.812 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.421 -2.036 -0.378 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -13.750 -2.440 -3.062 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.166 -0.603 -0.433 1.00 0.00 H new ATOM 823 N ASP A 50 -11.651 -9.147 -2.946 1.00 0.00 N ATOM 824 CA ASP A 50 -11.358 -10.505 -3.482 1.00 0.00 C ATOM 825 C ASP A 50 -10.576 -10.380 -4.794 1.00 0.00 C ATOM 826 O ASP A 50 -9.720 -11.186 -5.104 1.00 0.00 O ATOM 827 CB ASP A 50 -12.683 -11.226 -3.750 1.00 0.00 C ATOM 828 CG ASP A 50 -12.410 -12.632 -4.284 1.00 0.00 C ATOM 829 OD1 ASP A 50 -11.258 -12.927 -4.555 1.00 0.00 O ATOM 830 OD2 ASP A 50 -13.357 -13.392 -4.406 1.00 0.00 O ATOM 0 H ASP A 50 -12.639 -8.893 -2.943 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.765 -11.067 -2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.268 -11.283 -2.832 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.275 -10.662 -4.471 1.00 0.00 H new ATOM 835 N LEU A 51 -10.881 -9.380 -5.575 1.00 0.00 N ATOM 836 CA LEU A 51 -10.177 -9.206 -6.879 1.00 0.00 C ATOM 837 C LEU A 51 -8.767 -8.664 -6.653 1.00 0.00 C ATOM 838 O LEU A 51 -8.545 -7.748 -5.884 1.00 0.00 O ATOM 839 CB LEU A 51 -10.967 -8.229 -7.753 1.00 0.00 C ATOM 840 CG LEU A 51 -12.411 -8.725 -7.899 1.00 0.00 C ATOM 841 CD1 LEU A 51 -13.215 -7.722 -8.731 1.00 0.00 C ATOM 842 CD2 LEU A 51 -12.424 -10.101 -8.590 1.00 0.00 C ATOM 0 H LEU A 51 -11.588 -8.675 -5.367 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.105 -10.173 -7.376 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.956 -7.235 -7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.500 -8.143 -8.734 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.861 -8.818 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.241 -8.075 -8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.213 -6.752 -8.233 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.764 -7.624 -9.718 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.452 -10.448 -8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.971 -10.016 -9.578 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.858 -10.814 -7.991 1.00 0.00 H new ATOM 854 N GLU A 52 -7.816 -9.232 -7.336 1.00 0.00 N ATOM 855 CA GLU A 52 -6.405 -8.776 -7.202 1.00 0.00 C ATOM 856 C GLU A 52 -6.234 -7.417 -7.887 1.00 0.00 C ATOM 857 O GLU A 52 -5.544 -6.540 -7.404 1.00 0.00 O ATOM 858 CB GLU A 52 -5.490 -9.801 -7.878 1.00 0.00 C ATOM 859 CG GLU A 52 -4.041 -9.283 -7.898 1.00 0.00 C ATOM 860 CD GLU A 52 -3.828 -8.370 -9.110 1.00 0.00 C ATOM 861 OE1 GLU A 52 -3.765 -8.888 -10.214 1.00 0.00 O ATOM 862 OE2 GLU A 52 -3.730 -7.170 -8.913 1.00 0.00 O ATOM 0 H GLU A 52 -7.957 -10.002 -7.990 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.148 -8.681 -6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.538 -10.750 -7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.831 -9.990 -8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.829 -8.737 -6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.347 -10.122 -7.938 1.00 0.00 H new ATOM 869 N ALA A 53 -6.857 -7.245 -9.021 1.00 0.00 N ATOM 870 CA ALA A 53 -6.734 -5.952 -9.760 1.00 0.00 C ATOM 871 C ALA A 53 -7.326 -4.814 -8.921 1.00 0.00 C ATOM 872 O ALA A 53 -6.789 -3.722 -8.862 1.00 0.00 O ATOM 873 CB ALA A 53 -7.502 -6.055 -11.078 1.00 0.00 C ATOM 0 H ALA A 53 -7.448 -7.945 -9.470 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.682 -5.746 -9.955 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.417 -5.115 -11.623 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.085 -6.862 -11.680 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.552 -6.261 -10.872 1.00 0.00 H new ATOM 879 N ASP A 54 -8.425 -5.064 -8.269 1.00 0.00 N ATOM 880 CA ASP A 54 -9.055 -4.005 -7.424 1.00 0.00 C ATOM 881 C ASP A 54 -8.109 -3.648 -6.273 1.00 0.00 C ATOM 882 O ASP A 54 -8.000 -2.507 -5.866 1.00 0.00 O ATOM 883 CB ASP A 54 -10.375 -4.527 -6.856 1.00 0.00 C ATOM 884 CG ASP A 54 -11.128 -3.386 -6.168 1.00 0.00 C ATOM 885 OD1 ASP A 54 -10.528 -2.343 -5.966 1.00 0.00 O ATOM 886 OD2 ASP A 54 -12.290 -3.578 -5.851 1.00 0.00 O ATOM 0 H ASP A 54 -8.918 -5.957 -8.283 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.246 -3.118 -8.029 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.985 -4.948 -7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.183 -5.330 -6.144 1.00 0.00 H new ATOM 891 N ALA A 55 -7.419 -4.624 -5.752 1.00 0.00 N ATOM 892 CA ALA A 55 -6.469 -4.361 -4.630 1.00 0.00 C ATOM 893 C ALA A 55 -5.375 -3.404 -5.111 1.00 0.00 C ATOM 894 O ALA A 55 -4.937 -2.523 -4.396 1.00 0.00 O ATOM 895 CB ALA A 55 -5.832 -5.680 -4.195 1.00 0.00 C ATOM 0 H ALA A 55 -7.471 -5.597 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.002 -3.915 -3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.137 -5.496 -3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.610 -6.368 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.294 -6.119 -5.035 1.00 0.00 H new ATOM 901 N GLU A 56 -4.936 -3.574 -6.328 1.00 0.00 N ATOM 902 CA GLU A 56 -3.872 -2.678 -6.879 1.00 0.00 C ATOM 903 C GLU A 56 -4.407 -1.246 -6.971 1.00 0.00 C ATOM 904 O GLU A 56 -3.749 -0.294 -6.588 1.00 0.00 O ATOM 905 CB GLU A 56 -3.486 -3.163 -8.279 1.00 0.00 C ATOM 906 CG GLU A 56 -2.735 -4.491 -8.170 1.00 0.00 C ATOM 907 CD GLU A 56 -2.389 -5.017 -9.568 1.00 0.00 C ATOM 908 OE1 GLU A 56 -2.741 -4.360 -10.534 1.00 0.00 O ATOM 909 OE2 GLU A 56 -1.773 -6.068 -9.646 1.00 0.00 O ATOM 0 H GLU A 56 -5.267 -4.296 -6.968 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.000 -2.699 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.379 -3.287 -8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.861 -2.419 -8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.823 -4.355 -7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.346 -5.221 -7.639 1.00 0.00 H new ATOM 916 N ARG A 57 -5.601 -1.089 -7.470 1.00 0.00 N ATOM 917 CA ARG A 57 -6.198 0.277 -7.593 1.00 0.00 C ATOM 918 C ARG A 57 -6.399 0.881 -6.196 1.00 0.00 C ATOM 919 O ARG A 57 -6.106 2.036 -5.951 1.00 0.00 O ATOM 920 CB ARG A 57 -7.556 0.167 -8.295 1.00 0.00 C ATOM 921 CG ARG A 57 -7.350 -0.175 -9.774 1.00 0.00 C ATOM 922 CD ARG A 57 -8.709 -0.372 -10.461 1.00 0.00 C ATOM 923 NE ARG A 57 -9.462 0.916 -10.458 1.00 0.00 N ATOM 924 CZ ARG A 57 -10.692 0.973 -10.901 1.00 0.00 C ATOM 925 NH1 ARG A 57 -11.278 -0.098 -11.365 1.00 0.00 N ATOM 926 NH2 ARG A 57 -11.336 2.106 -10.881 1.00 0.00 N ATOM 0 H ARG A 57 -6.195 -1.850 -7.801 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.530 0.916 -8.170 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.162 -0.602 -7.816 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.101 1.107 -8.202 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.796 0.624 -10.267 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.752 -1.081 -9.866 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.564 -0.718 -11.484 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.282 -1.141 -9.943 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.013 1.762 -10.107 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.777 -0.986 -11.384 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.237 -0.046 -11.709 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.881 2.945 -10.521 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.295 2.154 -11.226 1.00 0.00 H new ATOM 940 N VAL A 58 -6.898 0.098 -5.284 1.00 0.00 N ATOM 941 CA VAL A 58 -7.126 0.599 -3.895 1.00 0.00 C ATOM 942 C VAL A 58 -5.777 0.885 -3.224 1.00 0.00 C ATOM 943 O VAL A 58 -5.608 1.868 -2.526 1.00 0.00 O ATOM 944 CB VAL A 58 -7.886 -0.457 -3.093 1.00 0.00 C ATOM 945 CG1 VAL A 58 -7.990 -0.016 -1.629 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.292 -0.626 -3.670 1.00 0.00 C ATOM 0 H VAL A 58 -7.161 -0.875 -5.439 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.711 1.518 -3.931 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.351 -1.405 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.532 -0.771 -1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.990 0.103 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.522 0.934 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.832 -1.379 -3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.825 0.323 -3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.223 -0.943 -4.711 1.00 0.00 H new ATOM 956 N SER A 59 -4.821 0.020 -3.423 1.00 0.00 N ATOM 957 CA SER A 59 -3.482 0.220 -2.791 1.00 0.00 C ATOM 958 C SER A 59 -2.906 1.572 -3.220 1.00 0.00 C ATOM 959 O SER A 59 -2.315 2.288 -2.433 1.00 0.00 O ATOM 960 CB SER A 59 -2.537 -0.894 -3.246 1.00 0.00 C ATOM 961 OG SER A 59 -2.341 -0.803 -4.653 1.00 0.00 O ATOM 0 H SER A 59 -4.907 -0.819 -3.997 1.00 0.00 H new ATOM 0 HA SER A 59 -3.588 0.197 -1.706 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.581 -0.809 -2.728 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.954 -1.868 -2.988 1.00 0.00 H new ATOM 0 HG SER A 59 -3.180 -0.537 -5.084 1.00 0.00 H new ATOM 967 N ILE A 60 -3.073 1.928 -4.461 1.00 0.00 N ATOM 968 CA ILE A 60 -2.536 3.237 -4.939 1.00 0.00 C ATOM 969 C ILE A 60 -3.264 4.383 -4.219 1.00 0.00 C ATOM 970 O ILE A 60 -2.657 5.323 -3.733 1.00 0.00 O ATOM 971 CB ILE A 60 -2.775 3.345 -6.448 1.00 0.00 C ATOM 972 CG1 ILE A 60 -1.905 2.315 -7.176 1.00 0.00 C ATOM 973 CG2 ILE A 60 -2.414 4.752 -6.933 1.00 0.00 C ATOM 974 CD1 ILE A 60 -2.329 2.220 -8.645 1.00 0.00 C ATOM 0 H ILE A 60 -3.557 1.373 -5.167 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.469 3.302 -4.727 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.827 3.152 -6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.855 2.601 -7.109 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.002 1.341 -6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.586 4.822 -8.007 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.035 5.485 -6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.364 4.952 -6.720 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.706 1.486 -9.157 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.373 1.914 -8.703 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.209 3.193 -9.122 1.00 0.00 H new ATOM 986 N ALA A 61 -4.564 4.306 -4.139 1.00 0.00 N ATOM 987 CA ALA A 61 -5.337 5.384 -3.448 1.00 0.00 C ATOM 988 C ALA A 61 -5.004 5.370 -1.951 1.00 0.00 C ATOM 989 O ALA A 61 -4.628 6.371 -1.363 1.00 0.00 O ATOM 990 CB ALA A 61 -6.835 5.122 -3.634 1.00 0.00 C ATOM 0 H ALA A 61 -5.126 3.545 -4.521 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.075 6.354 -3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.406 5.904 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.075 5.122 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.091 4.154 -3.204 1.00 0.00 H new ATOM 996 N CYS A 62 -5.130 4.230 -1.334 1.00 0.00 N ATOM 997 CA CYS A 62 -4.827 4.130 0.123 1.00 0.00 C ATOM 998 C CYS A 62 -3.372 4.534 0.366 1.00 0.00 C ATOM 999 O CYS A 62 -3.053 5.216 1.322 1.00 0.00 O ATOM 1000 CB CYS A 62 -5.034 2.685 0.580 1.00 0.00 C ATOM 1001 SG CYS A 62 -6.781 2.237 0.421 1.00 0.00 S ATOM 0 H CYS A 62 -5.430 3.361 -1.775 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.488 4.792 0.683 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.420 2.013 -0.020 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.713 2.572 1.615 1.00 0.00 H new ATOM 0 HG CYS A 62 -7.292 2.057 1.603 1.00 0.00 H new ATOM 1007 N ALA A 63 -2.491 4.121 -0.502 1.00 0.00 N ATOM 1008 CA ALA A 63 -1.048 4.471 -0.338 1.00 0.00 C ATOM 1009 C ALA A 63 -0.900 5.986 -0.175 1.00 0.00 C ATOM 1010 O ALA A 63 -0.115 6.466 0.622 1.00 0.00 O ATOM 1011 CB ALA A 63 -0.282 4.023 -1.584 1.00 0.00 C ATOM 0 H ALA A 63 -2.707 3.554 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.650 3.972 0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.773 4.275 -1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.387 2.945 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.685 4.530 -2.461 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.655 6.745 -0.922 1.00 0.00 N ATOM 1018 CA LYS A 64 -1.564 8.234 -0.803 1.00 0.00 C ATOM 1019 C LYS A 64 -1.951 8.653 0.618 1.00 0.00 C ATOM 1020 O LYS A 64 -1.334 9.515 1.216 1.00 0.00 O ATOM 1021 CB LYS A 64 -2.520 8.885 -1.802 1.00 0.00 C ATOM 1022 CG LYS A 64 -2.013 8.645 -3.224 1.00 0.00 C ATOM 1023 CD LYS A 64 -2.954 9.318 -4.226 1.00 0.00 C ATOM 1024 CE LYS A 64 -2.402 9.144 -5.644 1.00 0.00 C ATOM 1025 NZ LYS A 64 -2.668 7.754 -6.113 1.00 0.00 N ATOM 0 H LYS A 64 -2.329 6.403 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.544 8.555 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.521 8.470 -1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.594 9.955 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.004 9.043 -3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.957 7.575 -3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.950 8.880 -4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.054 10.378 -3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.868 9.862 -6.318 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.331 9.345 -5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.768 7.287 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.151 7.221 -5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.271 7.783 -6.960 1.00 0.00 H new ATOM 1039 N ILE A 65 -2.964 8.043 1.166 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.385 8.397 2.560 1.00 0.00 C ATOM 1041 C ILE A 65 -2.259 8.041 3.543 1.00 0.00 C ATOM 1042 O ILE A 65 -1.937 8.794 4.442 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.665 7.622 2.915 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.879 8.317 2.285 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -4.848 7.551 4.438 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -5.624 8.576 0.802 1.00 0.00 C ATOM 0 H ILE A 65 -3.520 7.317 0.715 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.585 9.467 2.626 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.578 6.608 2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.767 7.696 2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.076 9.258 2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.759 6.999 4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.993 7.043 4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.923 8.560 4.843 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.492 9.070 0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.748 9.215 0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.450 7.629 0.292 1.00 0.00 H new ATOM 1058 N ILE A 66 -1.671 6.895 3.381 1.00 0.00 N ATOM 1059 CA ILE A 66 -0.574 6.480 4.304 1.00 0.00 C ATOM 1060 C ILE A 66 0.606 7.447 4.149 1.00 0.00 C ATOM 1061 O ILE A 66 1.211 7.873 5.114 1.00 0.00 O ATOM 1062 CB ILE A 66 -0.127 5.045 3.955 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -1.110 4.012 4.547 1.00 0.00 C ATOM 1064 CG2 ILE A 66 1.285 4.784 4.508 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -2.357 3.905 3.665 1.00 0.00 C ATOM 0 H ILE A 66 -1.900 6.222 2.649 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.927 6.503 5.335 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.117 4.943 2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.625 3.039 4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.394 4.306 5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.592 3.769 4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.985 5.494 4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.279 4.904 5.591 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.043 3.174 4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.849 4.876 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.068 3.589 2.663 1.00 0.00 H new ATOM 1077 N ILE A 67 0.936 7.793 2.940 1.00 0.00 N ATOM 1078 CA ILE A 67 2.076 8.726 2.718 1.00 0.00 C ATOM 1079 C ILE A 67 1.754 10.078 3.363 1.00 0.00 C ATOM 1080 O ILE A 67 2.581 10.685 4.022 1.00 0.00 O ATOM 1081 CB ILE A 67 2.288 8.911 1.210 1.00 0.00 C ATOM 1082 CG1 ILE A 67 2.817 7.607 0.602 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.294 10.036 0.962 1.00 0.00 C ATOM 1084 CD1 ILE A 67 2.744 7.677 -0.926 1.00 0.00 C ATOM 0 H ILE A 67 0.467 7.471 2.093 1.00 0.00 H new ATOM 0 HA ILE A 67 2.982 8.318 3.165 1.00 0.00 H new ATOM 0 HB ILE A 67 1.337 9.170 0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.847 7.440 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.231 6.763 0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.441 10.163 -0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.914 10.964 1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.245 9.784 1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.122 6.747 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.709 7.823 -1.234 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.350 8.511 -1.281 1.00 0.00 H new ATOM 1096 N ASP A 68 0.555 10.548 3.181 1.00 0.00 N ATOM 1097 CA ASP A 68 0.162 11.857 3.782 1.00 0.00 C ATOM 1098 C ASP A 68 0.196 11.746 5.311 1.00 0.00 C ATOM 1099 O ASP A 68 0.688 12.617 6.005 1.00 0.00 O ATOM 1100 CB ASP A 68 -1.257 12.209 3.329 1.00 0.00 C ATOM 1101 CG ASP A 68 -1.674 13.548 3.937 1.00 0.00 C ATOM 1102 OD1 ASP A 68 -0.935 14.055 4.764 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -2.726 14.042 3.565 1.00 0.00 O ATOM 0 H ASP A 68 -0.175 10.083 2.641 1.00 0.00 H new ATOM 0 HA ASP A 68 0.855 12.634 3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.299 12.264 2.241 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.952 11.427 3.636 1.00 0.00 H new ATOM 1108 N SER A 69 -0.320 10.669 5.835 1.00 0.00 N ATOM 1109 CA SER A 69 -0.319 10.475 7.318 1.00 0.00 C ATOM 1110 C SER A 69 1.125 10.387 7.818 1.00 0.00 C ATOM 1111 O SER A 69 1.459 10.854 8.891 1.00 0.00 O ATOM 1112 CB SER A 69 -1.061 9.185 7.663 1.00 0.00 C ATOM 1113 OG SER A 69 -2.338 9.192 7.037 1.00 0.00 O ATOM 0 H SER A 69 -0.744 9.911 5.301 1.00 0.00 H new ATOM 0 HA SER A 69 -0.818 11.318 7.797 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.485 8.321 7.330 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.174 9.095 8.743 1.00 0.00 H new ATOM 0 HG SER A 69 -2.246 8.908 6.104 1.00 0.00 H new ATOM 1119 N HIS A 70 1.985 9.787 7.041 1.00 0.00 N ATOM 1120 CA HIS A 70 3.416 9.661 7.455 1.00 0.00 C ATOM 1121 C HIS A 70 4.009 11.052 7.683 1.00 0.00 C ATOM 1122 O HIS A 70 4.724 11.289 8.638 1.00 0.00 O ATOM 1123 CB HIS A 70 4.196 8.948 6.348 1.00 0.00 C ATOM 1124 CG HIS A 70 5.642 8.830 6.739 1.00 0.00 C ATOM 1125 ND1 HIS A 70 6.041 8.243 7.929 1.00 0.00 N ATOM 1126 CD2 HIS A 70 6.798 9.210 6.102 1.00 0.00 C ATOM 1127 CE1 HIS A 70 7.384 8.287 7.971 1.00 0.00 C ATOM 1128 NE2 HIS A 70 7.898 8.867 6.884 1.00 0.00 N ATOM 0 H HIS A 70 1.760 9.377 6.135 1.00 0.00 H new ATOM 0 HA HIS A 70 3.481 9.087 8.380 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.775 7.958 6.174 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.107 9.501 5.413 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.428 7.849 8.643 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.846 9.700 5.141 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.976 7.899 8.787 1.00 0.00 H new ATOM 1136 N LEU A 71 3.715 11.974 6.811 1.00 0.00 N ATOM 1137 CA LEU A 71 4.256 13.357 6.975 1.00 0.00 C ATOM 1138 C LEU A 71 3.694 13.965 8.262 1.00 0.00 C ATOM 1139 O LEU A 71 4.389 14.621 9.016 1.00 0.00 O ATOM 1140 CB LEU A 71 3.829 14.209 5.778 1.00 0.00 C ATOM 1141 CG LEU A 71 4.502 13.680 4.502 1.00 0.00 C ATOM 1142 CD1 LEU A 71 3.962 14.443 3.287 1.00 0.00 C ATOM 1143 CD2 LEU A 71 6.033 13.852 4.591 1.00 0.00 C ATOM 0 H LEU A 71 3.124 11.833 5.991 1.00 0.00 H new ATOM 0 HA LEU A 71 5.344 13.326 7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.745 14.182 5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.106 15.250 5.943 1.00 0.00 H new ATOM 0 HG LEU A 71 4.277 12.619 4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.439 14.069 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.884 14.298 3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.179 15.505 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.495 13.473 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.274 14.909 4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.412 13.296 5.449 1.00 0.00 H new ATOM 1155 N ASP A 72 2.437 13.744 8.519 1.00 0.00 N ATOM 1156 CA ASP A 72 1.810 14.298 9.756 1.00 0.00 C ATOM 1157 C ASP A 72 2.055 13.332 10.923 1.00 0.00 C ATOM 1158 O ASP A 72 2.812 13.610 11.834 1.00 0.00 O ATOM 1159 CB ASP A 72 0.303 14.446 9.531 1.00 0.00 C ATOM 1160 CG ASP A 72 -0.320 15.252 10.672 1.00 0.00 C ATOM 1161 OD1 ASP A 72 0.111 16.372 10.882 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -1.220 14.734 11.312 1.00 0.00 O ATOM 0 H ASP A 72 1.811 13.201 7.924 1.00 0.00 H new ATOM 0 HA ASP A 72 2.246 15.270 9.987 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.116 14.943 8.579 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.163 13.462 9.473 1.00 0.00 H new ATOM 1167 N ARG A 73 1.409 12.198 10.898 1.00 0.00 N ATOM 1168 CA ARG A 73 1.579 11.202 12.000 1.00 0.00 C ATOM 1169 C ARG A 73 2.874 10.408 11.808 1.00 0.00 C ATOM 1170 O ARG A 73 3.281 10.112 10.701 1.00 0.00 O ATOM 1171 CB ARG A 73 0.396 10.232 11.998 1.00 0.00 C ATOM 1172 CG ARG A 73 -0.891 10.990 12.331 1.00 0.00 C ATOM 1173 CD ARG A 73 -2.093 10.044 12.220 1.00 0.00 C ATOM 1174 NE ARG A 73 -1.983 8.974 13.252 1.00 0.00 N ATOM 1175 CZ ARG A 73 -2.804 7.955 13.242 1.00 0.00 C ATOM 1176 NH1 ARG A 73 -3.730 7.863 12.327 1.00 0.00 N ATOM 1177 NH2 ARG A 73 -2.695 7.027 14.152 1.00 0.00 N ATOM 0 H ARG A 73 0.766 11.915 10.158 1.00 0.00 H new ATOM 0 HA ARG A 73 1.624 11.736 12.949 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.306 9.754 11.022 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.562 9.439 12.727 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.832 11.401 13.339 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.015 11.832 11.650 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.020 10.600 12.356 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.130 9.601 11.225 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.262 9.037 13.971 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.817 8.588 11.614 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.367 7.066 12.324 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.972 7.097 14.868 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.333 6.231 14.148 1.00 0.00 H new ATOM 1191 N HIS A 74 3.513 10.059 12.892 1.00 0.00 N ATOM 1192 CA HIS A 74 4.782 9.270 12.825 1.00 0.00 C ATOM 1193 C HIS A 74 4.612 7.996 13.663 1.00 0.00 C ATOM 1194 O HIS A 74 5.558 7.459 14.205 1.00 0.00 O ATOM 1195 CB HIS A 74 5.926 10.119 13.388 1.00 0.00 C ATOM 1196 CG HIS A 74 6.177 11.281 12.466 1.00 0.00 C ATOM 1197 ND1 HIS A 74 5.430 12.448 12.521 1.00 0.00 N ATOM 1198 CD2 HIS A 74 7.086 11.466 11.452 1.00 0.00 C ATOM 1199 CE1 HIS A 74 5.898 13.275 11.565 1.00 0.00 C ATOM 1200 NE2 HIS A 74 6.908 12.725 10.885 1.00 0.00 N ATOM 0 H HIS A 74 3.206 10.290 13.837 1.00 0.00 H new ATOM 0 HA HIS A 74 5.010 9.000 11.794 1.00 0.00 H new ATOM 0 HB2 HIS A 74 5.672 10.478 14.385 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.828 9.516 13.487 1.00 0.00 H new ATOM 0 HD2 HIS A 74 7.827 10.744 11.142 1.00 0.00 H new ATOM 0 HE1 HIS A 74 5.504 14.262 11.372 1.00 0.00 H new ATOM 0 HE2 HIS A 74 7.435 13.139 10.116 1.00 0.00 H new ATOM 1208 N ASP A 75 3.399 7.514 13.774 1.00 0.00 N ATOM 1209 CA ASP A 75 3.146 6.274 14.577 1.00 0.00 C ATOM 1210 C ASP A 75 3.402 5.039 13.714 1.00 0.00 C ATOM 1211 O ASP A 75 2.511 4.534 13.058 1.00 0.00 O ATOM 1212 CB ASP A 75 1.692 6.261 15.058 1.00 0.00 C ATOM 1213 CG ASP A 75 1.508 7.288 16.178 1.00 0.00 C ATOM 1214 OD1 ASP A 75 2.506 7.763 16.689 1.00 0.00 O ATOM 1215 OD2 ASP A 75 0.369 7.578 16.508 1.00 0.00 O ATOM 0 H ASP A 75 2.571 7.925 13.343 1.00 0.00 H new ATOM 0 HA ASP A 75 3.816 6.262 15.437 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.023 6.490 14.229 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.427 5.266 15.417 1.00 0.00 H new ATOM 1220 N GLN A 76 4.616 4.556 13.713 1.00 0.00 N ATOM 1221 CA GLN A 76 4.973 3.347 12.899 1.00 0.00 C ATOM 1222 C GLN A 76 4.820 3.650 11.401 1.00 0.00 C ATOM 1223 O GLN A 76 5.443 3.028 10.561 1.00 0.00 O ATOM 1224 CB GLN A 76 4.057 2.176 13.279 1.00 0.00 C ATOM 1225 CG GLN A 76 4.643 0.866 12.746 1.00 0.00 C ATOM 1226 CD GLN A 76 5.906 0.508 13.532 1.00 0.00 C ATOM 1227 OE1 GLN A 76 5.963 0.686 14.731 1.00 0.00 O ATOM 1228 NE2 GLN A 76 6.929 0.001 12.898 1.00 0.00 N ATOM 0 H GLN A 76 5.389 4.951 14.248 1.00 0.00 H new ATOM 0 HA GLN A 76 6.010 3.081 13.104 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.950 2.123 14.362 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.060 2.333 12.867 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.909 0.065 12.835 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.879 0.966 11.687 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.881 -0.149 11.890 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.776 -0.245 13.411 1.00 0.00 H new ATOM 1237 N GLY A 77 3.993 4.600 11.067 1.00 0.00 N ATOM 1238 CA GLY A 77 3.780 4.954 9.635 1.00 0.00 C ATOM 1239 C GLY A 77 5.118 5.202 8.941 1.00 0.00 C ATOM 1240 O GLY A 77 5.784 6.194 9.183 1.00 0.00 O ATOM 0 H GLY A 77 3.450 5.152 11.731 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.246 4.149 9.131 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.156 5.845 9.563 1.00 0.00 H new ATOM 1244 N LEU A 78 5.501 4.301 8.071 1.00 0.00 N ATOM 1245 CA LEU A 78 6.792 4.439 7.322 1.00 0.00 C ATOM 1246 C LEU A 78 7.863 5.033 8.248 1.00 0.00 C ATOM 1247 O LEU A 78 8.715 5.798 7.836 1.00 0.00 O ATOM 1248 CB LEU A 78 6.590 5.355 6.109 1.00 0.00 C ATOM 1249 CG LEU A 78 5.375 4.890 5.290 1.00 0.00 C ATOM 1250 CD1 LEU A 78 5.168 5.842 4.108 1.00 0.00 C ATOM 1251 CD2 LEU A 78 5.605 3.469 4.761 1.00 0.00 C ATOM 0 H LEU A 78 4.967 3.462 7.844 1.00 0.00 H new ATOM 0 HA LEU A 78 7.117 3.457 6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.443 6.383 6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.484 5.347 5.485 1.00 0.00 H new ATOM 0 HG LEU A 78 4.493 4.893 5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.307 5.516 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.993 6.851 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.057 5.837 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.737 3.151 4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.490 3.456 4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.751 2.788 5.599 1.00 0.00 H new ATOM 1263 N ALA A 79 7.807 4.688 9.505 1.00 0.00 N ATOM 1264 CA ALA A 79 8.801 5.223 10.483 1.00 0.00 C ATOM 1265 C ALA A 79 10.205 4.732 10.115 1.00 0.00 C ATOM 1266 O ALA A 79 11.183 5.438 10.259 1.00 0.00 O ATOM 1267 CB ALA A 79 8.442 4.724 11.885 1.00 0.00 C ATOM 0 H ALA A 79 7.112 4.055 9.901 1.00 0.00 H new ATOM 0 HA ALA A 79 8.783 6.313 10.460 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.164 5.111 12.605 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.443 5.071 12.150 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.463 3.634 11.900 1.00 0.00 H new ATOM 1273 N ASP A 80 10.310 3.520 9.649 1.00 0.00 N ATOM 1274 CA ASP A 80 11.647 2.966 9.273 1.00 0.00 C ATOM 1275 C ASP A 80 12.210 3.766 8.091 1.00 0.00 C ATOM 1276 O ASP A 80 13.401 3.990 7.982 1.00 0.00 O ATOM 1277 CB ASP A 80 11.483 1.495 8.870 1.00 0.00 C ATOM 1278 CG ASP A 80 11.507 0.595 10.109 1.00 0.00 C ATOM 1279 OD1 ASP A 80 12.171 0.948 11.070 1.00 0.00 O ATOM 1280 OD2 ASP A 80 10.859 -0.441 10.073 1.00 0.00 O ATOM 0 H ASP A 80 9.525 2.883 9.510 1.00 0.00 H new ATOM 0 HA ASP A 80 12.332 3.038 10.118 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.544 1.361 8.334 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.283 1.207 8.188 1.00 0.00 H new ATOM 1285 N LEU A 81 11.360 4.193 7.204 1.00 0.00 N ATOM 1286 CA LEU A 81 11.838 4.971 6.025 1.00 0.00 C ATOM 1287 C LEU A 81 12.007 6.440 6.424 1.00 0.00 C ATOM 1288 O LEU A 81 12.466 7.258 5.653 1.00 0.00 O ATOM 1289 CB LEU A 81 10.802 4.869 4.902 1.00 0.00 C ATOM 1290 CG LEU A 81 10.556 3.397 4.544 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.491 3.308 3.439 1.00 0.00 C ATOM 1292 CD2 LEU A 81 11.861 2.749 4.054 1.00 0.00 C ATOM 0 H LEU A 81 10.353 4.038 7.242 1.00 0.00 H new ATOM 0 HA LEU A 81 12.793 4.572 5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.868 5.336 5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.152 5.412 4.024 1.00 0.00 H new ATOM 0 HG LEU A 81 10.207 2.868 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.317 2.262 3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.562 3.755 3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.838 3.843 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.677 1.705 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.220 3.277 3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.613 2.805 4.841 1.00 0.00 H new ATOM 1304 N GLY A 82 11.641 6.778 7.628 1.00 0.00 N ATOM 1305 CA GLY A 82 11.782 8.193 8.083 1.00 0.00 C ATOM 1306 C GLY A 82 11.243 8.329 9.510 1.00 0.00 C ATOM 1307 O GLY A 82 12.027 8.182 10.432 1.00 0.00 O ATOM 1308 OXT GLY A 82 10.057 8.569 9.653 1.00 0.00 O ATOM 0 H GLY A 82 11.250 6.137 8.319 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.829 8.494 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.237 8.857 7.413 1.00 0.00 H new TER 1312 GLY A 82