USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 656 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 81 HEC HAC : A 81 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 81 HEC HAB : A 81 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 81 HEC H2D : A 81 HEC O2D : A 81 HEC CGD :(short bond) USER MOD NoAdj-H: A 81 HEC H2A : A 81 HEC O2A : A 81 HEC CGA :(short bond) USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= -0.99 (180deg=-1.48) USER MOD Single : A 11 MET CE :methyl -136:sc= -5.11! (180deg=-11.2!) USER MOD Single : A 14 HIS : no HE2:sc= -5.97 K(o=-6,f=-9.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.359 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -146:sc= 0.226 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 159:sc= -0.254 (180deg=-1.37) USER MOD Single : A 62 GLN : amide:sc= -1 K(o=-1,f=-4.1!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0597 USER MOD Single : A 70 LYS NZ :NH3+ -151:sc= -0.0402 (180deg=-0.321) USER MOD Single : A 71 GLN : amide:sc= -4.96! C(o=-5!,f=-7.3!) USER MOD Single : A 74 GLN : amide:sc= -0.622 K(o=-0.62,f=-2.3) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 65.947 -11.943 5.498 1.00 0.00 N ATOM 2 CA ASN A 1 64.524 -12.150 5.886 1.00 0.00 C ATOM 3 C ASN A 1 63.892 -10.807 6.250 1.00 0.00 C ATOM 4 O ASN A 1 63.288 -10.148 5.426 1.00 0.00 O ATOM 5 CB ASN A 1 64.454 -13.086 7.093 1.00 0.00 C ATOM 6 CG ASN A 1 63.998 -14.474 6.638 1.00 0.00 C ATOM 7 OD1 ASN A 1 64.712 -15.160 5.933 1.00 0.00 O ATOM 8 ND2 ASN A 1 62.831 -14.919 7.013 1.00 0.00 N ATOM 0 H1 ASN A 1 66.376 -12.858 5.251 1.00 0.00 H new ATOM 0 H2 ASN A 1 65.994 -11.305 4.678 1.00 0.00 H new ATOM 0 H3 ASN A 1 66.466 -11.521 6.294 1.00 0.00 H new ATOM 0 HA ASN A 1 63.983 -12.592 5.049 1.00 0.00 H new ATOM 0 HB2 ASN A 1 65.431 -13.152 7.573 1.00 0.00 H new ATOM 0 HB3 ASN A 1 63.761 -12.689 7.835 1.00 0.00 H new ATOM 0 HD21 ASN A 1 62.517 -15.843 6.715 1.00 0.00 H new ATOM 0 HD22 ASN A 1 62.232 -14.343 7.605 1.00 0.00 H new ATOM 17 N GLU A 2 64.026 -10.394 7.479 1.00 0.00 N ATOM 18 CA GLU A 2 63.433 -9.093 7.897 1.00 0.00 C ATOM 19 C GLU A 2 63.731 -8.848 9.377 1.00 0.00 C ATOM 20 O GLU A 2 62.882 -8.405 10.126 1.00 0.00 O ATOM 21 CB GLU A 2 61.920 -9.132 7.680 1.00 0.00 C ATOM 22 CG GLU A 2 61.315 -10.272 8.499 1.00 0.00 C ATOM 23 CD GLU A 2 60.054 -9.780 9.212 1.00 0.00 C ATOM 24 OE1 GLU A 2 59.530 -8.755 8.807 1.00 0.00 O ATOM 25 OE2 GLU A 2 59.635 -10.435 10.152 1.00 0.00 O ATOM 0 H GLU A 2 64.521 -10.901 8.213 1.00 0.00 H new ATOM 0 HA GLU A 2 63.865 -8.288 7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 2 61.475 -8.182 7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 2 61.697 -9.272 6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 2 61.072 -11.112 7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 2 62.040 -10.633 9.229 1.00 0.00 H new ATOM 32 N GLN A 3 64.930 -9.132 9.807 1.00 0.00 N ATOM 33 CA GLN A 3 65.279 -8.914 11.231 1.00 0.00 C ATOM 34 C GLN A 3 66.398 -7.877 11.331 1.00 0.00 C ATOM 35 O GLN A 3 66.479 -7.127 12.283 1.00 0.00 O ATOM 36 CB GLN A 3 65.742 -10.231 11.859 1.00 0.00 C ATOM 37 CG GLN A 3 66.090 -10.002 13.331 1.00 0.00 C ATOM 38 CD GLN A 3 66.661 -11.290 13.930 1.00 0.00 C ATOM 39 OE1 GLN A 3 67.820 -11.600 13.738 1.00 0.00 O ATOM 40 NE2 GLN A 3 65.892 -12.057 14.653 1.00 0.00 N ATOM 0 H GLN A 3 65.682 -9.506 9.228 1.00 0.00 H new ATOM 0 HA GLN A 3 64.400 -8.552 11.765 1.00 0.00 H new ATOM 0 HB2 GLN A 3 64.957 -10.983 11.773 1.00 0.00 H new ATOM 0 HB3 GLN A 3 66.611 -10.615 11.325 1.00 0.00 H new ATOM 0 HG2 GLN A 3 66.816 -9.194 13.422 1.00 0.00 H new ATOM 0 HG3 GLN A 3 65.201 -9.696 13.882 1.00 0.00 H new ATOM 0 HE21 GLN A 3 64.919 -11.797 14.814 1.00 0.00 H new ATOM 0 HE22 GLN A 3 66.264 -12.917 15.057 1.00 0.00 H new ATOM 49 N LEU A 4 67.260 -7.824 10.353 1.00 0.00 N ATOM 50 CA LEU A 4 68.368 -6.829 10.395 1.00 0.00 C ATOM 51 C LEU A 4 67.866 -5.490 9.851 1.00 0.00 C ATOM 52 O LEU A 4 68.429 -4.447 10.122 1.00 0.00 O ATOM 53 CB LEU A 4 69.543 -7.326 9.546 1.00 0.00 C ATOM 54 CG LEU A 4 69.158 -7.308 8.064 1.00 0.00 C ATOM 55 CD1 LEU A 4 70.273 -6.643 7.254 1.00 0.00 C ATOM 56 CD2 LEU A 4 68.962 -8.744 7.575 1.00 0.00 C ATOM 0 H LEU A 4 67.245 -8.425 9.529 1.00 0.00 H new ATOM 0 HA LEU A 4 68.703 -6.701 11.424 1.00 0.00 H new ATOM 0 HB2 LEU A 4 70.416 -6.695 9.712 1.00 0.00 H new ATOM 0 HB3 LEU A 4 69.819 -8.337 9.847 1.00 0.00 H new ATOM 0 HG LEU A 4 68.232 -6.747 7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 4 69.999 -6.630 6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 4 70.417 -5.621 7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 4 71.199 -7.204 7.381 1.00 0.00 H new ATOM 0 HD21 LEU A 4 68.688 -8.735 6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 4 69.889 -9.302 7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 4 68.169 -9.220 8.152 1.00 0.00 H new ATOM 68 N ALA A 5 66.807 -5.510 9.088 1.00 0.00 N ATOM 69 CA ALA A 5 66.265 -4.239 8.530 1.00 0.00 C ATOM 70 C ALA A 5 65.291 -3.621 9.535 1.00 0.00 C ATOM 71 O ALA A 5 64.960 -2.455 9.457 1.00 0.00 O ATOM 72 CB ALA A 5 65.529 -4.528 7.220 1.00 0.00 C ATOM 0 H ALA A 5 66.294 -6.352 8.827 1.00 0.00 H new ATOM 0 HA ALA A 5 67.084 -3.546 8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 5 65.133 -3.598 6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 5 66.221 -4.972 6.504 1.00 0.00 H new ATOM 0 HB3 ALA A 5 64.708 -5.220 7.409 1.00 0.00 H new ATOM 78 N LYS A 6 64.828 -4.396 10.479 1.00 0.00 N ATOM 79 CA LYS A 6 63.876 -3.852 11.487 1.00 0.00 C ATOM 80 C LYS A 6 64.646 -3.417 12.736 1.00 0.00 C ATOM 81 O LYS A 6 64.440 -2.342 13.261 1.00 0.00 O ATOM 82 CB LYS A 6 62.861 -4.934 11.864 1.00 0.00 C ATOM 83 CG LYS A 6 61.458 -4.327 11.897 1.00 0.00 C ATOM 84 CD LYS A 6 61.146 -3.841 13.313 1.00 0.00 C ATOM 85 CE LYS A 6 59.979 -4.649 13.884 1.00 0.00 C ATOM 86 NZ LYS A 6 59.811 -4.327 15.330 1.00 0.00 N ATOM 0 H LYS A 6 65.068 -5.381 10.595 1.00 0.00 H new ATOM 0 HA LYS A 6 63.353 -2.993 11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 6 62.899 -5.750 11.143 1.00 0.00 H new ATOM 0 HB3 LYS A 6 63.109 -5.357 12.838 1.00 0.00 H new ATOM 0 HG2 LYS A 6 61.393 -3.497 11.193 1.00 0.00 H new ATOM 0 HG3 LYS A 6 60.722 -5.068 11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 6 62.024 -3.952 13.949 1.00 0.00 H new ATOM 0 HD3 LYS A 6 60.895 -2.780 13.298 1.00 0.00 H new ATOM 0 HE2 LYS A 6 59.063 -4.418 13.340 1.00 0.00 H new ATOM 0 HE3 LYS A 6 60.165 -5.716 13.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 59.018 -4.876 15.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 60.683 -4.568 15.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 59.615 -3.311 15.439 1.00 0.00 H new ATOM 100 N GLN A 7 65.534 -4.246 13.216 1.00 0.00 N ATOM 101 CA GLN A 7 66.314 -3.881 14.427 1.00 0.00 C ATOM 102 C GLN A 7 67.248 -2.714 14.103 1.00 0.00 C ATOM 103 O GLN A 7 67.605 -1.935 14.964 1.00 0.00 O ATOM 104 CB GLN A 7 67.138 -5.086 14.886 1.00 0.00 C ATOM 105 CG GLN A 7 66.203 -6.147 15.469 1.00 0.00 C ATOM 106 CD GLN A 7 66.101 -5.961 16.984 1.00 0.00 C ATOM 107 OE1 GLN A 7 66.889 -6.507 17.729 1.00 0.00 O ATOM 108 NE2 GLN A 7 65.155 -5.207 17.474 1.00 0.00 N ATOM 0 H GLN A 7 65.751 -5.160 12.819 1.00 0.00 H new ATOM 0 HA GLN A 7 65.630 -3.585 15.223 1.00 0.00 H new ATOM 0 HB2 GLN A 7 67.697 -5.499 14.047 1.00 0.00 H new ATOM 0 HB3 GLN A 7 67.868 -4.778 15.634 1.00 0.00 H new ATOM 0 HG2 GLN A 7 65.215 -6.066 15.015 1.00 0.00 H new ATOM 0 HG3 GLN A 7 66.579 -7.144 15.239 1.00 0.00 H new ATOM 0 HE21 GLN A 7 64.493 -4.748 16.848 1.00 0.00 H new ATOM 0 HE22 GLN A 7 65.078 -5.077 18.483 1.00 0.00 H new ATOM 117 N LYS A 8 67.647 -2.585 12.866 1.00 0.00 N ATOM 118 CA LYS A 8 68.556 -1.466 12.490 1.00 0.00 C ATOM 119 C LYS A 8 67.804 -0.139 12.613 1.00 0.00 C ATOM 120 O LYS A 8 68.242 0.773 13.285 1.00 0.00 O ATOM 121 CB LYS A 8 69.031 -1.651 11.048 1.00 0.00 C ATOM 122 CG LYS A 8 69.976 -0.506 10.673 1.00 0.00 C ATOM 123 CD LYS A 8 71.406 -1.039 10.558 1.00 0.00 C ATOM 124 CE LYS A 8 71.580 -1.748 9.215 1.00 0.00 C ATOM 125 NZ LYS A 8 72.674 -2.755 9.324 1.00 0.00 N ATOM 0 H LYS A 8 67.383 -3.206 12.101 1.00 0.00 H new ATOM 0 HA LYS A 8 69.419 -1.461 13.156 1.00 0.00 H new ATOM 0 HB2 LYS A 8 69.541 -2.608 10.942 1.00 0.00 H new ATOM 0 HB3 LYS A 8 68.177 -1.668 10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 8 69.666 -0.060 9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 8 69.929 0.280 11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 8 72.119 -0.219 10.643 1.00 0.00 H new ATOM 0 HD3 LYS A 8 71.615 -1.729 11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 8 70.649 -2.236 8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 8 71.815 -1.023 8.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 72.598 -3.436 8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 73.595 -2.274 9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 72.593 -3.259 10.230 1.00 0.00 H new ATOM 139 N GLY A 9 66.674 -0.025 11.971 1.00 0.00 N ATOM 140 CA GLY A 9 65.895 1.242 12.056 1.00 0.00 C ATOM 141 C GLY A 9 65.535 1.727 10.650 1.00 0.00 C ATOM 142 O GLY A 9 65.436 2.912 10.400 1.00 0.00 O ATOM 0 H GLY A 9 66.257 -0.754 11.392 1.00 0.00 H new ATOM 0 HA2 GLY A 9 64.988 1.083 12.639 1.00 0.00 H new ATOM 0 HA3 GLY A 9 66.478 2.003 12.575 1.00 0.00 H new ATOM 146 N CYS A 10 65.331 0.824 9.728 1.00 0.00 N ATOM 147 CA CYS A 10 64.970 1.246 8.345 1.00 0.00 C ATOM 148 C CYS A 10 63.465 1.512 8.275 1.00 0.00 C ATOM 149 O CYS A 10 63.006 2.342 7.516 1.00 0.00 O ATOM 150 CB CYS A 10 65.331 0.137 7.354 1.00 0.00 C ATOM 151 SG CYS A 10 67.046 -0.387 7.616 1.00 0.00 S ATOM 0 H CYS A 10 65.399 -0.183 9.873 1.00 0.00 H new ATOM 0 HA CYS A 10 65.519 2.152 8.090 1.00 0.00 H new ATOM 0 HB2 CYS A 10 64.658 -0.711 7.483 1.00 0.00 H new ATOM 0 HB3 CYS A 10 65.202 0.494 6.332 1.00 0.00 H new ATOM 156 N MET A 11 62.693 0.808 9.059 1.00 0.00 N ATOM 157 CA MET A 11 61.218 1.015 9.038 1.00 0.00 C ATOM 158 C MET A 11 60.873 2.333 9.733 1.00 0.00 C ATOM 159 O MET A 11 59.779 2.847 9.600 1.00 0.00 O ATOM 160 CB MET A 11 60.531 -0.141 9.768 1.00 0.00 C ATOM 161 CG MET A 11 60.370 -1.324 8.812 1.00 0.00 C ATOM 162 SD MET A 11 59.032 -0.977 7.644 1.00 0.00 S ATOM 163 CE MET A 11 59.285 -2.414 6.574 1.00 0.00 C ATOM 0 H MET A 11 63.022 0.098 9.713 1.00 0.00 H new ATOM 0 HA MET A 11 60.873 1.051 8.005 1.00 0.00 H new ATOM 0 HB2 MET A 11 61.120 -0.438 10.636 1.00 0.00 H new ATOM 0 HB3 MET A 11 59.556 0.177 10.138 1.00 0.00 H new ATOM 0 HG2 MET A 11 61.301 -1.499 8.273 1.00 0.00 H new ATOM 0 HG3 MET A 11 60.151 -2.232 9.374 1.00 0.00 H new ATOM 0 HE1 MET A 11 59.222 -2.106 5.530 1.00 0.00 H new ATOM 0 HE2 MET A 11 60.268 -2.843 6.767 1.00 0.00 H new ATOM 0 HE3 MET A 11 58.517 -3.160 6.779 1.00 0.00 H new ATOM 173 N ALA A 12 61.794 2.886 10.473 1.00 0.00 N ATOM 174 CA ALA A 12 61.513 4.172 11.173 1.00 0.00 C ATOM 175 C ALA A 12 61.035 5.208 10.156 1.00 0.00 C ATOM 176 O ALA A 12 60.123 5.969 10.410 1.00 0.00 O ATOM 177 CB ALA A 12 62.788 4.671 11.856 1.00 0.00 C ATOM 0 H ALA A 12 62.728 2.504 10.623 1.00 0.00 H new ATOM 0 HA ALA A 12 60.739 4.018 11.925 1.00 0.00 H new ATOM 0 HB1 ALA A 12 62.583 5.611 12.368 1.00 0.00 H new ATOM 0 HB2 ALA A 12 63.127 3.930 12.580 1.00 0.00 H new ATOM 0 HB3 ALA A 12 63.564 4.828 11.107 1.00 0.00 H new ATOM 183 N CYS A 13 61.642 5.237 9.004 1.00 0.00 N ATOM 184 CA CYS A 13 61.224 6.216 7.961 1.00 0.00 C ATOM 185 C CYS A 13 60.735 5.456 6.727 1.00 0.00 C ATOM 186 O CYS A 13 60.917 5.890 5.606 1.00 0.00 O ATOM 187 CB CYS A 13 62.416 7.093 7.571 1.00 0.00 C ATOM 188 SG CYS A 13 63.314 7.602 9.058 1.00 0.00 S ATOM 0 H CYS A 13 62.412 4.623 8.738 1.00 0.00 H new ATOM 0 HA CYS A 13 60.424 6.844 8.352 1.00 0.00 H new ATOM 0 HB2 CYS A 13 63.080 6.544 6.904 1.00 0.00 H new ATOM 0 HB3 CYS A 13 62.070 7.971 7.025 1.00 0.00 H new ATOM 193 N HIS A 14 60.122 4.321 6.919 1.00 0.00 N ATOM 194 CA HIS A 14 59.632 3.538 5.751 1.00 0.00 C ATOM 195 C HIS A 14 58.263 2.936 6.072 1.00 0.00 C ATOM 196 O HIS A 14 57.672 3.218 7.095 1.00 0.00 O ATOM 197 CB HIS A 14 60.622 2.414 5.445 1.00 0.00 C ATOM 198 CG HIS A 14 61.693 2.925 4.522 1.00 0.00 C ATOM 199 ND1 HIS A 14 61.514 2.996 3.149 1.00 0.00 N ATOM 200 CD2 HIS A 14 62.963 3.390 4.758 1.00 0.00 C ATOM 201 CE1 HIS A 14 62.648 3.485 2.618 1.00 0.00 C ATOM 202 NE2 HIS A 14 63.565 3.743 3.554 1.00 0.00 N ATOM 0 H HIS A 14 59.940 3.903 7.831 1.00 0.00 H new ATOM 0 HA HIS A 14 59.543 4.195 4.886 1.00 0.00 H new ATOM 0 HB2 HIS A 14 61.069 2.047 6.369 1.00 0.00 H new ATOM 0 HB3 HIS A 14 60.103 1.573 4.986 1.00 0.00 H new ATOM 0 HD1 HIS A 14 60.675 2.726 2.635 1.00 0.00 H new ATOM 0 HD2 HIS A 14 63.425 3.470 5.731 1.00 0.00 H new ATOM 0 HE1 HIS A 14 62.799 3.649 1.561 1.00 0.00 H new ATOM 210 N ASP A 15 57.760 2.104 5.201 1.00 0.00 N ATOM 211 CA ASP A 15 56.432 1.477 5.446 1.00 0.00 C ATOM 212 C ASP A 15 56.039 0.641 4.227 1.00 0.00 C ATOM 213 O ASP A 15 56.214 1.054 3.097 1.00 0.00 O ATOM 214 CB ASP A 15 55.382 2.564 5.680 1.00 0.00 C ATOM 215 CG ASP A 15 54.380 2.086 6.732 1.00 0.00 C ATOM 216 OD1 ASP A 15 54.651 1.081 7.366 1.00 0.00 O ATOM 217 OD2 ASP A 15 53.358 2.734 6.884 1.00 0.00 O ATOM 0 H ASP A 15 58.213 1.832 4.329 1.00 0.00 H new ATOM 0 HA ASP A 15 56.488 0.839 6.328 1.00 0.00 H new ATOM 0 HB2 ASP A 15 55.863 3.484 6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 15 54.866 2.793 4.748 1.00 0.00 H new ATOM 222 N LEU A 16 55.512 -0.533 4.442 1.00 0.00 N ATOM 223 CA LEU A 16 55.115 -1.391 3.291 1.00 0.00 C ATOM 224 C LEU A 16 53.799 -0.889 2.704 1.00 0.00 C ATOM 225 O LEU A 16 53.468 -1.175 1.571 1.00 0.00 O ATOM 226 CB LEU A 16 54.928 -2.830 3.765 1.00 0.00 C ATOM 227 CG LEU A 16 56.229 -3.608 3.558 1.00 0.00 C ATOM 228 CD1 LEU A 16 57.338 -2.983 4.405 1.00 0.00 C ATOM 229 CD2 LEU A 16 56.028 -5.066 3.980 1.00 0.00 C ATOM 0 H LEU A 16 55.339 -0.934 5.364 1.00 0.00 H new ATOM 0 HA LEU A 16 55.896 -1.350 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 16 54.647 -2.844 4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 16 54.117 -3.304 3.212 1.00 0.00 H new ATOM 0 HG LEU A 16 56.509 -3.570 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 16 58.265 -3.537 4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 16 57.484 -1.945 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 16 57.057 -3.020 5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 16 56.956 -5.619 3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 16 55.747 -5.105 5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 16 55.238 -5.514 3.377 1.00 0.00 H new ATOM 241 N LYS A 17 53.037 -0.152 3.463 1.00 0.00 N ATOM 242 CA LYS A 17 51.742 0.345 2.930 1.00 0.00 C ATOM 243 C LYS A 17 51.781 1.866 2.797 1.00 0.00 C ATOM 244 O LYS A 17 50.806 2.546 3.044 1.00 0.00 O ATOM 245 CB LYS A 17 50.608 -0.058 3.872 1.00 0.00 C ATOM 246 CG LYS A 17 49.265 0.144 3.166 1.00 0.00 C ATOM 247 CD LYS A 17 48.899 -1.123 2.392 1.00 0.00 C ATOM 248 CE LYS A 17 48.411 -0.745 0.993 1.00 0.00 C ATOM 249 NZ LYS A 17 46.931 -0.906 0.924 1.00 0.00 N ATOM 0 H LYS A 17 53.254 0.125 4.421 1.00 0.00 H new ATOM 0 HA LYS A 17 51.570 -0.095 1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 17 50.721 -1.100 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 17 50.647 0.540 4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 17 48.489 0.373 3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 17 49.324 0.994 2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 17 49.765 -1.781 2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 17 48.123 -1.674 2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 17 48.687 0.285 0.766 1.00 0.00 H new ATOM 0 HE3 LYS A 17 48.892 -1.376 0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 46.598 -0.649 -0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 46.680 -1.895 1.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 46.481 -0.286 1.627 1.00 0.00 H new ATOM 263 N ALA A 18 52.897 2.402 2.400 1.00 0.00 N ATOM 264 CA ALA A 18 53.000 3.881 2.239 1.00 0.00 C ATOM 265 C ALA A 18 52.469 4.583 3.492 1.00 0.00 C ATOM 266 O ALA A 18 51.279 4.767 3.654 1.00 0.00 O ATOM 267 CB ALA A 18 52.173 4.314 1.028 1.00 0.00 C ATOM 0 H ALA A 18 53.746 1.882 2.179 1.00 0.00 H new ATOM 0 HA ALA A 18 54.045 4.154 2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 18 52.245 5.395 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 18 52.553 3.822 0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 18 51.130 4.035 1.181 1.00 0.00 H new ATOM 273 N LYS A 19 53.343 4.986 4.375 1.00 0.00 N ATOM 274 CA LYS A 19 52.891 5.685 5.613 1.00 0.00 C ATOM 275 C LYS A 19 54.076 5.846 6.568 1.00 0.00 C ATOM 276 O LYS A 19 54.319 5.009 7.415 1.00 0.00 O ATOM 277 CB LYS A 19 51.789 4.874 6.299 1.00 0.00 C ATOM 278 CG LYS A 19 50.623 5.798 6.654 1.00 0.00 C ATOM 279 CD LYS A 19 50.422 5.806 8.171 1.00 0.00 C ATOM 280 CE LYS A 19 48.999 6.265 8.497 1.00 0.00 C ATOM 281 NZ LYS A 19 49.028 7.684 8.952 1.00 0.00 N ATOM 0 H LYS A 19 54.352 4.861 4.292 1.00 0.00 H new ATOM 0 HA LYS A 19 52.498 6.666 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 19 51.447 4.075 5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 19 52.179 4.400 7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 19 50.824 6.808 6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 19 49.713 5.460 6.158 1.00 0.00 H new ATOM 0 HD2 LYS A 19 50.595 4.809 8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 19 51.146 6.471 8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 19 48.363 6.167 7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 19 48.570 5.631 9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 48.061 7.997 9.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 49.622 7.764 9.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 49.421 8.282 8.198 1.00 0.00 H new ATOM 295 N LYS A 20 54.813 6.914 6.437 1.00 0.00 N ATOM 296 CA LYS A 20 55.984 7.131 7.337 1.00 0.00 C ATOM 297 C LYS A 20 56.734 8.387 6.893 1.00 0.00 C ATOM 298 O LYS A 20 56.167 9.287 6.306 1.00 0.00 O ATOM 299 CB LYS A 20 56.921 5.924 7.258 1.00 0.00 C ATOM 300 CG LYS A 20 57.536 5.662 8.634 1.00 0.00 C ATOM 301 CD LYS A 20 56.461 5.138 9.586 1.00 0.00 C ATOM 302 CE LYS A 20 57.117 4.307 10.691 1.00 0.00 C ATOM 303 NZ LYS A 20 56.343 3.051 10.898 1.00 0.00 N ATOM 0 H LYS A 20 54.656 7.647 5.746 1.00 0.00 H new ATOM 0 HA LYS A 20 55.638 7.253 8.363 1.00 0.00 H new ATOM 0 HB2 LYS A 20 56.371 5.045 6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 20 57.707 6.108 6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 20 58.346 4.937 8.549 1.00 0.00 H new ATOM 0 HG3 LYS A 20 57.970 6.580 9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 20 55.909 5.971 10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 20 55.741 4.530 9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 20 58.146 4.071 10.420 1.00 0.00 H new ATOM 0 HE3 LYS A 20 57.154 4.880 11.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 56.790 2.488 11.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 55.368 3.285 11.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 56.330 2.502 10.015 1.00 0.00 H new ATOM 317 N VAL A 21 58.009 8.458 7.167 1.00 0.00 N ATOM 318 CA VAL A 21 58.793 9.658 6.757 1.00 0.00 C ATOM 319 C VAL A 21 59.358 9.437 5.355 1.00 0.00 C ATOM 320 O VAL A 21 59.032 10.145 4.423 1.00 0.00 O ATOM 321 CB VAL A 21 59.946 9.877 7.738 1.00 0.00 C ATOM 322 CG1 VAL A 21 60.602 11.229 7.459 1.00 0.00 C ATOM 323 CG2 VAL A 21 59.405 9.858 9.169 1.00 0.00 C ATOM 0 H VAL A 21 58.541 7.738 7.656 1.00 0.00 H new ATOM 0 HA VAL A 21 58.144 10.534 6.759 1.00 0.00 H new ATOM 0 HB VAL A 21 60.684 9.084 7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 21 61.424 11.386 8.158 1.00 0.00 H new ATOM 0 HG12 VAL A 21 60.985 11.244 6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 21 59.865 12.023 7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 21 60.225 10.014 9.870 1.00 0.00 H new ATOM 0 HG22 VAL A 21 58.668 10.652 9.290 1.00 0.00 H new ATOM 0 HG23 VAL A 21 58.936 8.894 9.368 1.00 0.00 H new ATOM 333 N GLY A 22 60.202 8.456 5.197 1.00 0.00 N ATOM 334 CA GLY A 22 60.787 8.183 3.853 1.00 0.00 C ATOM 335 C GLY A 22 59.712 7.577 2.948 1.00 0.00 C ATOM 336 O GLY A 22 58.534 7.745 3.191 1.00 0.00 O ATOM 0 H GLY A 22 60.513 7.831 5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 22 61.169 9.105 3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 22 61.631 7.499 3.943 1.00 0.00 H new ATOM 340 N PRO A 23 60.153 6.887 1.929 1.00 0.00 N ATOM 341 CA PRO A 23 59.252 6.237 0.964 1.00 0.00 C ATOM 342 C PRO A 23 58.706 4.931 1.548 1.00 0.00 C ATOM 343 O PRO A 23 59.023 4.557 2.659 1.00 0.00 O ATOM 344 CB PRO A 23 60.155 5.962 -0.242 1.00 0.00 C ATOM 345 CG PRO A 23 61.607 5.940 0.296 1.00 0.00 C ATOM 346 CD PRO A 23 61.590 6.689 1.643 1.00 0.00 C ATOM 0 HA PRO A 23 58.384 6.844 0.708 1.00 0.00 H new ATOM 0 HB2 PRO A 23 59.900 5.011 -0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 23 60.034 6.734 -1.002 1.00 0.00 H new ATOM 0 HG2 PRO A 23 61.956 4.916 0.427 1.00 0.00 H new ATOM 0 HG3 PRO A 23 62.288 6.421 -0.406 1.00 0.00 H new ATOM 0 HD2 PRO A 23 62.076 6.109 2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 23 62.118 7.640 1.577 1.00 0.00 H new ATOM 354 N ALA A 24 57.888 4.234 0.809 1.00 0.00 N ATOM 355 CA ALA A 24 57.327 2.956 1.328 1.00 0.00 C ATOM 356 C ALA A 24 57.937 1.784 0.559 1.00 0.00 C ATOM 357 O ALA A 24 58.054 1.814 -0.650 1.00 0.00 O ATOM 358 CB ALA A 24 55.809 2.951 1.147 1.00 0.00 C ATOM 0 H ALA A 24 57.585 4.494 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 24 57.564 2.860 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 24 55.400 2.015 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 24 55.374 3.786 1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 24 55.568 3.048 0.088 1.00 0.00 H new ATOM 364 N TYR A 25 58.327 0.749 1.252 1.00 0.00 N ATOM 365 CA TYR A 25 58.929 -0.424 0.570 1.00 0.00 C ATOM 366 C TYR A 25 58.003 -0.894 -0.556 1.00 0.00 C ATOM 367 O TYR A 25 58.447 -1.287 -1.616 1.00 0.00 O ATOM 368 CB TYR A 25 59.113 -1.551 1.588 1.00 0.00 C ATOM 369 CG TYR A 25 60.329 -1.283 2.454 1.00 0.00 C ATOM 370 CD1 TYR A 25 61.033 -0.074 2.338 1.00 0.00 C ATOM 371 CD2 TYR A 25 60.749 -2.246 3.378 1.00 0.00 C ATOM 372 CE1 TYR A 25 62.153 0.165 3.145 1.00 0.00 C ATOM 373 CE2 TYR A 25 61.868 -2.006 4.184 1.00 0.00 C ATOM 374 CZ TYR A 25 62.570 -0.802 4.067 1.00 0.00 C ATOM 375 OH TYR A 25 63.673 -0.565 4.863 1.00 0.00 O ATOM 0 H TYR A 25 58.253 0.668 2.266 1.00 0.00 H new ATOM 0 HA TYR A 25 59.895 -0.149 0.147 1.00 0.00 H new ATOM 0 HB2 TYR A 25 58.224 -1.635 2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 25 59.229 -2.503 1.070 1.00 0.00 H new ATOM 0 HD1 TYR A 25 60.711 0.672 1.626 1.00 0.00 H new ATOM 0 HD2 TYR A 25 60.209 -3.177 3.470 1.00 0.00 H new ATOM 0 HE1 TYR A 25 62.694 1.095 3.056 1.00 0.00 H new ATOM 0 HE2 TYR A 25 62.189 -2.751 4.897 1.00 0.00 H new ATOM 0 HH TYR A 25 63.826 -1.336 5.448 1.00 0.00 H new ATOM 385 N ALA A 26 56.716 -0.854 -0.335 1.00 0.00 N ATOM 386 CA ALA A 26 55.764 -1.296 -1.392 1.00 0.00 C ATOM 387 C ALA A 26 55.927 -0.410 -2.630 1.00 0.00 C ATOM 388 O ALA A 26 56.045 -0.891 -3.739 1.00 0.00 O ATOM 389 CB ALA A 26 54.331 -1.177 -0.872 1.00 0.00 C ATOM 0 H ALA A 26 56.284 -0.534 0.532 1.00 0.00 H new ATOM 0 HA ALA A 26 55.972 -2.333 -1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 26 53.635 -1.501 -1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.211 -1.806 0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.124 -0.140 -0.609 1.00 0.00 H new ATOM 395 N ASP A 27 55.931 0.881 -2.446 1.00 0.00 N ATOM 396 CA ASP A 27 56.081 1.803 -3.604 1.00 0.00 C ATOM 397 C ASP A 27 57.452 1.601 -4.254 1.00 0.00 C ATOM 398 O ASP A 27 57.643 1.876 -5.421 1.00 0.00 O ATOM 399 CB ASP A 27 55.962 3.243 -3.108 1.00 0.00 C ATOM 400 CG ASP A 27 54.506 3.542 -2.745 1.00 0.00 C ATOM 401 OD1 ASP A 27 53.803 2.612 -2.387 1.00 0.00 O ATOM 402 OD2 ASP A 27 54.122 4.697 -2.829 1.00 0.00 O ATOM 0 H ASP A 27 55.836 1.338 -1.539 1.00 0.00 H new ATOM 0 HA ASP A 27 55.304 1.596 -4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 27 56.602 3.393 -2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 27 56.304 3.933 -3.879 1.00 0.00 H new ATOM 407 N VAL A 28 58.408 1.126 -3.506 1.00 0.00 N ATOM 408 CA VAL A 28 59.766 0.912 -4.074 1.00 0.00 C ATOM 409 C VAL A 28 59.707 -0.185 -5.138 1.00 0.00 C ATOM 410 O VAL A 28 60.064 0.023 -6.279 1.00 0.00 O ATOM 411 CB VAL A 28 60.720 0.494 -2.956 1.00 0.00 C ATOM 412 CG1 VAL A 28 62.085 0.143 -3.551 1.00 0.00 C ATOM 413 CG2 VAL A 28 60.876 1.651 -1.966 1.00 0.00 C ATOM 0 H VAL A 28 58.306 0.876 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 28 60.123 1.836 -4.530 1.00 0.00 H new ATOM 0 HB VAL A 28 60.317 -0.377 -2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 28 62.764 -0.155 -2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.973 -0.679 -4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.491 1.013 -4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 28 61.556 1.357 -1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 28 61.280 2.521 -2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 28 59.903 1.900 -1.542 1.00 0.00 H new ATOM 423 N ALA A 29 59.263 -1.354 -4.770 1.00 0.00 N ATOM 424 CA ALA A 29 59.184 -2.464 -5.757 1.00 0.00 C ATOM 425 C ALA A 29 58.167 -2.111 -6.846 1.00 0.00 C ATOM 426 O ALA A 29 58.199 -2.647 -7.935 1.00 0.00 O ATOM 427 CB ALA A 29 58.743 -3.745 -5.048 1.00 0.00 C ATOM 0 H ALA A 29 58.951 -1.588 -3.827 1.00 0.00 H new ATOM 0 HA ALA A 29 60.164 -2.615 -6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 29 58.685 -4.559 -5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 29 59.466 -3.999 -4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 29 57.764 -3.591 -4.595 1.00 0.00 H new ATOM 433 N LYS A 30 57.264 -1.214 -6.558 1.00 0.00 N ATOM 434 CA LYS A 30 56.244 -0.828 -7.574 1.00 0.00 C ATOM 435 C LYS A 30 56.865 0.130 -8.593 1.00 0.00 C ATOM 436 O LYS A 30 56.474 0.166 -9.744 1.00 0.00 O ATOM 437 CB LYS A 30 55.071 -0.136 -6.875 1.00 0.00 C ATOM 438 CG LYS A 30 53.911 0.020 -7.859 1.00 0.00 C ATOM 439 CD LYS A 30 53.442 -1.363 -8.318 1.00 0.00 C ATOM 440 CE LYS A 30 51.929 -1.342 -8.534 1.00 0.00 C ATOM 441 NZ LYS A 30 51.466 -2.702 -8.932 1.00 0.00 N ATOM 0 H LYS A 30 57.188 -0.731 -5.663 1.00 0.00 H new ATOM 0 HA LYS A 30 55.891 -1.721 -8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 30 54.753 -0.720 -6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 30 55.380 0.841 -6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 30 53.088 0.556 -7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 30 54.226 0.613 -8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 30 53.948 -1.642 -9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 30 53.703 -2.114 -7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 30 51.425 -1.027 -7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 30 51.671 -0.618 -9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 50.437 -2.689 -9.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 51.938 -2.985 -9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 51.700 -3.382 -8.181 1.00 0.00 H new ATOM 455 N LYS A 31 57.827 0.910 -8.183 1.00 0.00 N ATOM 456 CA LYS A 31 58.467 1.866 -9.127 1.00 0.00 C ATOM 457 C LYS A 31 59.326 1.096 -10.134 1.00 0.00 C ATOM 458 O LYS A 31 59.451 1.481 -11.281 1.00 0.00 O ATOM 459 CB LYS A 31 59.347 2.841 -8.343 1.00 0.00 C ATOM 460 CG LYS A 31 58.510 4.043 -7.901 1.00 0.00 C ATOM 461 CD LYS A 31 59.386 5.297 -7.878 1.00 0.00 C ATOM 462 CE LYS A 31 58.510 6.537 -8.071 1.00 0.00 C ATOM 463 NZ LYS A 31 58.327 7.226 -6.762 1.00 0.00 N ATOM 0 H LYS A 31 58.197 0.926 -7.233 1.00 0.00 H new ATOM 0 HA LYS A 31 57.696 2.421 -9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 31 59.774 2.343 -7.473 1.00 0.00 H new ATOM 0 HB3 LYS A 31 60.181 3.173 -8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 31 57.671 4.185 -8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 31 58.090 3.862 -6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 31 59.922 5.361 -6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 31 60.137 5.243 -8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 31 58.973 7.214 -8.789 1.00 0.00 H new ATOM 0 HE3 LYS A 31 57.542 6.251 -8.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 57.378 7.651 -6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 58.430 6.537 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 59.045 7.972 -6.659 1.00 0.00 H new ATOM 477 N TYR A 32 59.920 0.012 -9.717 1.00 0.00 N ATOM 478 CA TYR A 32 60.770 -0.782 -10.650 1.00 0.00 C ATOM 479 C TYR A 32 59.980 -2.007 -11.136 1.00 0.00 C ATOM 480 O TYR A 32 58.906 -1.869 -11.688 1.00 0.00 O ATOM 481 CB TYR A 32 62.043 -1.221 -9.920 1.00 0.00 C ATOM 482 CG TYR A 32 62.607 -0.055 -9.144 1.00 0.00 C ATOM 483 CD1 TYR A 32 63.061 1.084 -9.817 1.00 0.00 C ATOM 484 CD2 TYR A 32 62.673 -0.116 -7.747 1.00 0.00 C ATOM 485 CE1 TYR A 32 63.582 2.163 -9.095 1.00 0.00 C ATOM 486 CE2 TYR A 32 63.193 0.964 -7.024 1.00 0.00 C ATOM 487 CZ TYR A 32 63.649 2.103 -7.697 1.00 0.00 C ATOM 488 OH TYR A 32 64.162 3.166 -6.984 1.00 0.00 O ATOM 0 H TYR A 32 59.854 -0.359 -8.769 1.00 0.00 H new ATOM 0 HA TYR A 32 61.048 -0.177 -11.513 1.00 0.00 H new ATOM 0 HB2 TYR A 32 61.821 -2.047 -9.245 1.00 0.00 H new ATOM 0 HB3 TYR A 32 62.779 -1.584 -10.637 1.00 0.00 H new ATOM 0 HD1 TYR A 32 63.009 1.130 -10.895 1.00 0.00 H new ATOM 0 HD2 TYR A 32 62.323 -0.996 -7.227 1.00 0.00 H new ATOM 0 HE1 TYR A 32 63.933 3.042 -9.615 1.00 0.00 H new ATOM 0 HE2 TYR A 32 63.242 0.918 -5.946 1.00 0.00 H new ATOM 0 HH TYR A 32 64.135 2.961 -6.026 1.00 0.00 H new ATOM 498 N ALA A 33 60.494 -3.200 -10.942 1.00 0.00 N ATOM 499 CA ALA A 33 59.765 -4.418 -11.395 1.00 0.00 C ATOM 500 C ALA A 33 60.005 -4.635 -12.885 1.00 0.00 C ATOM 501 O ALA A 33 59.532 -3.891 -13.721 1.00 0.00 O ATOM 502 CB ALA A 33 58.266 -4.261 -11.136 1.00 0.00 C ATOM 0 H ALA A 33 61.390 -3.378 -10.488 1.00 0.00 H new ATOM 0 HA ALA A 33 60.134 -5.279 -10.837 1.00 0.00 H new ATOM 0 HB1 ALA A 33 57.743 -5.157 -11.471 1.00 0.00 H new ATOM 0 HB2 ALA A 33 58.094 -4.118 -10.069 1.00 0.00 H new ATOM 0 HB3 ALA A 33 57.891 -3.396 -11.683 1.00 0.00 H new ATOM 508 N GLY A 34 60.745 -5.652 -13.219 1.00 0.00 N ATOM 509 CA GLY A 34 61.032 -5.928 -14.653 1.00 0.00 C ATOM 510 C GLY A 34 62.405 -5.360 -15.003 1.00 0.00 C ATOM 511 O GLY A 34 62.976 -5.672 -16.029 1.00 0.00 O ATOM 0 H GLY A 34 61.165 -6.307 -12.559 1.00 0.00 H new ATOM 0 HA2 GLY A 34 61.009 -7.001 -14.842 1.00 0.00 H new ATOM 0 HA3 GLY A 34 60.266 -5.477 -15.284 1.00 0.00 H new ATOM 515 N ARG A 35 62.940 -4.525 -14.154 1.00 0.00 N ATOM 516 CA ARG A 35 64.279 -3.932 -14.438 1.00 0.00 C ATOM 517 C ARG A 35 65.371 -4.781 -13.779 1.00 0.00 C ATOM 518 O ARG A 35 65.255 -5.181 -12.638 1.00 0.00 O ATOM 519 CB ARG A 35 64.336 -2.509 -13.881 1.00 0.00 C ATOM 520 CG ARG A 35 65.402 -1.704 -14.630 1.00 0.00 C ATOM 521 CD ARG A 35 65.145 -0.210 -14.430 1.00 0.00 C ATOM 522 NE ARG A 35 65.717 0.554 -15.575 1.00 0.00 N ATOM 523 CZ ARG A 35 65.662 1.859 -15.586 1.00 0.00 C ATOM 524 NH1 ARG A 35 65.106 2.500 -14.594 1.00 0.00 N ATOM 525 NH2 ARG A 35 66.163 2.524 -16.590 1.00 0.00 N ATOM 0 H ARG A 35 62.510 -4.228 -13.278 1.00 0.00 H new ATOM 0 HA ARG A 35 64.441 -3.909 -15.516 1.00 0.00 H new ATOM 0 HB2 ARG A 35 63.363 -2.028 -13.985 1.00 0.00 H new ATOM 0 HB3 ARG A 35 64.567 -2.534 -12.816 1.00 0.00 H new ATOM 0 HG2 ARG A 35 66.395 -1.966 -14.264 1.00 0.00 H new ATOM 0 HG3 ARG A 35 65.379 -1.949 -15.692 1.00 0.00 H new ATOM 0 HD2 ARG A 35 64.074 -0.022 -14.353 1.00 0.00 H new ATOM 0 HD3 ARG A 35 65.595 0.125 -13.495 1.00 0.00 H new ATOM 0 HE ARG A 35 66.152 0.057 -16.352 1.00 0.00 H new ATOM 0 HH11 ARG A 35 64.713 1.982 -13.808 1.00 0.00 H new ATOM 0 HH12 ARG A 35 65.064 3.519 -14.605 1.00 0.00 H new ATOM 0 HH21 ARG A 35 66.598 2.025 -17.366 1.00 0.00 H new ATOM 0 HH22 ARG A 35 66.120 3.543 -16.599 1.00 0.00 H new ATOM 539 N LYS A 36 66.430 -5.056 -14.491 1.00 0.00 N ATOM 540 CA LYS A 36 67.529 -5.878 -13.907 1.00 0.00 C ATOM 541 C LYS A 36 68.477 -4.973 -13.114 1.00 0.00 C ATOM 542 O LYS A 36 69.325 -5.439 -12.380 1.00 0.00 O ATOM 543 CB LYS A 36 68.304 -6.569 -15.032 1.00 0.00 C ATOM 544 CG LYS A 36 68.011 -8.071 -15.005 1.00 0.00 C ATOM 545 CD LYS A 36 68.979 -8.799 -15.941 1.00 0.00 C ATOM 546 CE LYS A 36 69.740 -9.870 -15.157 1.00 0.00 C ATOM 547 NZ LYS A 36 70.731 -10.530 -16.054 1.00 0.00 N ATOM 0 H LYS A 36 66.582 -4.747 -15.451 1.00 0.00 H new ATOM 0 HA LYS A 36 67.105 -6.631 -13.243 1.00 0.00 H new ATOM 0 HB2 LYS A 36 68.018 -6.149 -15.996 1.00 0.00 H new ATOM 0 HB3 LYS A 36 69.373 -6.394 -14.912 1.00 0.00 H new ATOM 0 HG2 LYS A 36 68.114 -8.454 -13.990 1.00 0.00 H new ATOM 0 HG3 LYS A 36 66.982 -8.257 -15.313 1.00 0.00 H new ATOM 0 HD2 LYS A 36 68.430 -9.257 -16.764 1.00 0.00 H new ATOM 0 HD3 LYS A 36 69.679 -8.089 -16.381 1.00 0.00 H new ATOM 0 HE2 LYS A 36 70.248 -9.420 -14.304 1.00 0.00 H new ATOM 0 HE3 LYS A 36 69.044 -10.609 -14.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 71.249 -11.258 -15.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 70.235 -10.972 -16.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 71.401 -9.820 -16.412 1.00 0.00 H new ATOM 561 N ASP A 37 68.338 -3.684 -13.255 1.00 0.00 N ATOM 562 CA ASP A 37 69.230 -2.753 -12.507 1.00 0.00 C ATOM 563 C ASP A 37 68.524 -2.287 -11.233 1.00 0.00 C ATOM 564 O ASP A 37 68.902 -1.305 -10.627 1.00 0.00 O ATOM 565 CB ASP A 37 69.552 -1.540 -13.381 1.00 0.00 C ATOM 566 CG ASP A 37 69.740 -1.987 -14.831 1.00 0.00 C ATOM 567 OD1 ASP A 37 70.208 -3.095 -15.034 1.00 0.00 O ATOM 568 OD2 ASP A 37 69.411 -1.213 -15.716 1.00 0.00 O ATOM 0 H ASP A 37 67.646 -3.235 -13.855 1.00 0.00 H new ATOM 0 HA ASP A 37 70.154 -3.268 -12.246 1.00 0.00 H new ATOM 0 HB2 ASP A 37 68.746 -0.809 -13.317 1.00 0.00 H new ATOM 0 HB3 ASP A 37 70.456 -1.050 -13.021 1.00 0.00 H new ATOM 573 N ALA A 38 67.498 -2.981 -10.822 1.00 0.00 N ATOM 574 CA ALA A 38 66.770 -2.572 -9.589 1.00 0.00 C ATOM 575 C ALA A 38 67.613 -2.912 -8.360 1.00 0.00 C ATOM 576 O ALA A 38 67.471 -2.313 -7.311 1.00 0.00 O ATOM 577 CB ALA A 38 65.435 -3.316 -9.514 1.00 0.00 C ATOM 0 H ALA A 38 67.133 -3.813 -11.287 1.00 0.00 H new ATOM 0 HA ALA A 38 66.587 -1.498 -9.616 1.00 0.00 H new ATOM 0 HB1 ALA A 38 64.902 -3.017 -8.612 1.00 0.00 H new ATOM 0 HB2 ALA A 38 64.833 -3.072 -10.389 1.00 0.00 H new ATOM 0 HB3 ALA A 38 65.618 -4.390 -9.488 1.00 0.00 H new ATOM 583 N VAL A 39 68.495 -3.867 -8.478 1.00 0.00 N ATOM 584 CA VAL A 39 69.347 -4.242 -7.314 1.00 0.00 C ATOM 585 C VAL A 39 70.522 -3.269 -7.210 1.00 0.00 C ATOM 586 O VAL A 39 70.757 -2.673 -6.179 1.00 0.00 O ATOM 587 CB VAL A 39 69.873 -5.666 -7.509 1.00 0.00 C ATOM 588 CG1 VAL A 39 70.408 -6.203 -6.180 1.00 0.00 C ATOM 589 CG2 VAL A 39 68.736 -6.565 -7.999 1.00 0.00 C ATOM 0 H VAL A 39 68.662 -4.403 -9.329 1.00 0.00 H new ATOM 0 HA VAL A 39 68.758 -4.196 -6.398 1.00 0.00 H new ATOM 0 HB VAL A 39 70.676 -5.657 -8.246 1.00 0.00 H new ATOM 0 HG11 VAL A 39 70.782 -7.217 -6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 39 71.218 -5.563 -5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 39 69.606 -6.212 -5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 39 69.109 -7.580 -8.138 1.00 0.00 H new ATOM 0 HG22 VAL A 39 67.934 -6.571 -7.261 1.00 0.00 H new ATOM 0 HG23 VAL A 39 68.355 -6.185 -8.947 1.00 0.00 H new ATOM 599 N ASP A 40 71.261 -3.098 -8.272 1.00 0.00 N ATOM 600 CA ASP A 40 72.417 -2.158 -8.229 1.00 0.00 C ATOM 601 C ASP A 40 71.905 -0.741 -7.963 1.00 0.00 C ATOM 602 O ASP A 40 72.529 0.037 -7.268 1.00 0.00 O ATOM 603 CB ASP A 40 73.156 -2.195 -9.569 1.00 0.00 C ATOM 604 CG ASP A 40 73.290 -3.645 -10.039 1.00 0.00 C ATOM 605 OD1 ASP A 40 73.340 -4.519 -9.189 1.00 0.00 O ATOM 606 OD2 ASP A 40 73.341 -3.856 -11.239 1.00 0.00 O ATOM 0 H ASP A 40 71.115 -3.567 -9.166 1.00 0.00 H new ATOM 0 HA ASP A 40 73.101 -2.454 -7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 40 72.614 -1.610 -10.312 1.00 0.00 H new ATOM 0 HB3 ASP A 40 74.142 -1.743 -9.465 1.00 0.00 H new ATOM 611 N TYR A 41 70.771 -0.398 -8.513 1.00 0.00 N ATOM 612 CA TYR A 41 70.214 0.963 -8.296 1.00 0.00 C ATOM 613 C TYR A 41 69.844 1.132 -6.820 1.00 0.00 C ATOM 614 O TYR A 41 70.431 1.921 -6.107 1.00 0.00 O ATOM 615 CB TYR A 41 68.966 1.145 -9.161 1.00 0.00 C ATOM 616 CG TYR A 41 68.659 2.615 -9.306 1.00 0.00 C ATOM 617 CD1 TYR A 41 68.001 3.298 -8.276 1.00 0.00 C ATOM 618 CD2 TYR A 41 69.031 3.294 -10.471 1.00 0.00 C ATOM 619 CE1 TYR A 41 67.716 4.661 -8.413 1.00 0.00 C ATOM 620 CE2 TYR A 41 68.745 4.657 -10.608 1.00 0.00 C ATOM 621 CZ TYR A 41 68.088 5.341 -9.579 1.00 0.00 C ATOM 622 OH TYR A 41 67.805 6.685 -9.714 1.00 0.00 O ATOM 0 H TYR A 41 70.206 -1.007 -9.105 1.00 0.00 H new ATOM 0 HA TYR A 41 70.958 1.711 -8.571 1.00 0.00 H new ATOM 0 HB2 TYR A 41 69.123 0.698 -10.142 1.00 0.00 H new ATOM 0 HB3 TYR A 41 68.119 0.630 -8.708 1.00 0.00 H new ATOM 0 HD1 TYR A 41 67.714 2.773 -7.377 1.00 0.00 H new ATOM 0 HD2 TYR A 41 69.539 2.766 -11.265 1.00 0.00 H new ATOM 0 HE1 TYR A 41 67.209 5.189 -7.619 1.00 0.00 H new ATOM 0 HE2 TYR A 41 69.031 5.181 -11.508 1.00 0.00 H new ATOM 0 HH TYR A 41 68.132 7.003 -10.582 1.00 0.00 H new ATOM 632 N LEU A 42 68.875 0.390 -6.357 1.00 0.00 N ATOM 633 CA LEU A 42 68.467 0.502 -4.929 1.00 0.00 C ATOM 634 C LEU A 42 69.703 0.379 -4.037 1.00 0.00 C ATOM 635 O LEU A 42 70.075 1.302 -3.342 1.00 0.00 O ATOM 636 CB LEU A 42 67.481 -0.620 -4.594 1.00 0.00 C ATOM 637 CG LEU A 42 66.060 -0.169 -4.938 1.00 0.00 C ATOM 638 CD1 LEU A 42 65.219 -1.381 -5.343 1.00 0.00 C ATOM 639 CD2 LEU A 42 65.427 0.501 -3.717 1.00 0.00 C ATOM 0 H LEU A 42 68.349 -0.289 -6.907 1.00 0.00 H new ATOM 0 HA LEU A 42 67.991 1.468 -4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 42 67.734 -1.520 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 42 67.548 -0.873 -3.536 1.00 0.00 H new ATOM 0 HG LEU A 42 66.098 0.539 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 42 64.207 -1.057 -5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 42 65.667 -1.860 -6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 42 65.183 -2.091 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 42 64.415 0.822 -3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 42 65.392 -0.208 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 42 66.022 1.367 -3.428 1.00 0.00 H new ATOM 651 N ALA A 43 70.337 -0.758 -4.054 1.00 0.00 N ATOM 652 CA ALA A 43 71.551 -0.955 -3.210 1.00 0.00 C ATOM 653 C ALA A 43 72.448 0.283 -3.305 1.00 0.00 C ATOM 654 O ALA A 43 73.133 0.637 -2.366 1.00 0.00 O ATOM 655 CB ALA A 43 72.318 -2.184 -3.702 1.00 0.00 C ATOM 0 H ALA A 43 70.067 -1.564 -4.618 1.00 0.00 H new ATOM 0 HA ALA A 43 71.253 -1.105 -2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 43 73.206 -2.329 -3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 43 71.679 -3.064 -3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 43 72.617 -2.035 -4.740 1.00 0.00 H new ATOM 661 N GLY A 44 72.448 0.943 -4.431 1.00 0.00 N ATOM 662 CA GLY A 44 73.301 2.156 -4.584 1.00 0.00 C ATOM 663 C GLY A 44 72.858 3.220 -3.578 1.00 0.00 C ATOM 664 O GLY A 44 73.638 3.694 -2.776 1.00 0.00 O ATOM 0 H GLY A 44 71.895 0.695 -5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 44 74.348 1.900 -4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 44 73.221 2.544 -5.599 1.00 0.00 H new ATOM 668 N LYS A 45 71.610 3.599 -3.613 1.00 0.00 N ATOM 669 CA LYS A 45 71.120 4.631 -2.655 1.00 0.00 C ATOM 670 C LYS A 45 70.956 4.005 -1.268 1.00 0.00 C ATOM 671 O LYS A 45 70.666 4.683 -0.302 1.00 0.00 O ATOM 672 CB LYS A 45 69.771 5.171 -3.134 1.00 0.00 C ATOM 673 CG LYS A 45 69.967 6.561 -3.742 1.00 0.00 C ATOM 674 CD LYS A 45 70.784 6.444 -5.029 1.00 0.00 C ATOM 675 CE LYS A 45 71.369 7.811 -5.388 1.00 0.00 C ATOM 676 NZ LYS A 45 72.841 7.684 -5.586 1.00 0.00 N ATOM 0 H LYS A 45 70.910 3.240 -4.262 1.00 0.00 H new ATOM 0 HA LYS A 45 71.840 5.447 -2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 45 69.338 4.496 -3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 45 69.071 5.222 -2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 45 69.000 7.017 -3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.478 7.211 -3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 45 71.585 5.717 -4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 45 70.153 6.082 -5.841 1.00 0.00 H new ATOM 0 HE2 LYS A 45 70.901 8.192 -6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 45 71.158 8.528 -4.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 73.240 8.613 -5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 73.281 7.338 -4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 73.031 7.012 -6.357 1.00 0.00 H new ATOM 690 N ILE A 46 71.138 2.717 -1.162 1.00 0.00 N ATOM 691 CA ILE A 46 70.994 2.051 0.162 1.00 0.00 C ATOM 692 C ILE A 46 72.267 2.268 0.983 1.00 0.00 C ATOM 693 O ILE A 46 72.219 2.457 2.182 1.00 0.00 O ATOM 694 CB ILE A 46 70.768 0.551 -0.045 1.00 0.00 C ATOM 695 CG1 ILE A 46 69.361 0.320 -0.599 1.00 0.00 C ATOM 696 CG2 ILE A 46 70.914 -0.177 1.292 1.00 0.00 C ATOM 697 CD1 ILE A 46 69.215 -1.141 -1.030 1.00 0.00 C ATOM 0 H ILE A 46 71.380 2.098 -1.935 1.00 0.00 H new ATOM 0 HA ILE A 46 70.143 2.477 0.694 1.00 0.00 H new ATOM 0 HB ILE A 46 71.505 0.167 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 46 68.616 0.563 0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 46 69.180 0.980 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.753 -1.245 1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 46 71.916 -0.012 1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 46 70.177 0.207 1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 46 68.212 -1.305 -1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 46 69.951 -1.368 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 46 69.378 -1.792 -0.171 1.00 0.00 H new ATOM 709 N LYS A 47 73.406 2.246 0.346 1.00 0.00 N ATOM 710 CA LYS A 47 74.681 2.453 1.089 1.00 0.00 C ATOM 711 C LYS A 47 75.143 3.902 0.912 1.00 0.00 C ATOM 712 O LYS A 47 76.305 4.216 1.079 1.00 0.00 O ATOM 713 CB LYS A 47 75.750 1.507 0.539 1.00 0.00 C ATOM 714 CG LYS A 47 76.945 1.473 1.493 1.00 0.00 C ATOM 715 CD LYS A 47 78.244 1.426 0.686 1.00 0.00 C ATOM 716 CE LYS A 47 78.329 0.099 -0.072 1.00 0.00 C ATOM 717 NZ LYS A 47 78.986 0.321 -1.391 1.00 0.00 N ATOM 0 H LYS A 47 73.508 2.094 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 47 74.523 2.247 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.337 0.505 0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 47 76.070 1.838 -0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.936 2.354 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 47 76.878 0.602 2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 47 78.279 2.260 -0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 47 79.101 1.532 1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 47 78.894 -0.629 0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 47 77.331 -0.314 -0.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 79.044 -0.581 -1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 78.429 1.002 -1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 79.944 0.697 -1.243 1.00 0.00 H new ATOM 731 N LYS A 48 74.245 4.786 0.574 1.00 0.00 N ATOM 732 CA LYS A 48 74.637 6.211 0.385 1.00 0.00 C ATOM 733 C LYS A 48 73.461 7.120 0.754 1.00 0.00 C ATOM 734 O LYS A 48 73.479 7.793 1.765 1.00 0.00 O ATOM 735 CB LYS A 48 75.024 6.443 -1.078 1.00 0.00 C ATOM 736 CG LYS A 48 76.460 6.965 -1.149 1.00 0.00 C ATOM 737 CD LYS A 48 76.450 8.443 -1.546 1.00 0.00 C ATOM 738 CE LYS A 48 77.890 8.940 -1.695 1.00 0.00 C ATOM 739 NZ LYS A 48 77.885 10.409 -1.942 1.00 0.00 N ATOM 0 H LYS A 48 73.257 4.583 0.421 1.00 0.00 H new ATOM 0 HA LYS A 48 75.487 6.442 1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 48 74.935 5.514 -1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 48 74.342 7.159 -1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 48 76.951 6.841 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 48 77.032 6.387 -1.875 1.00 0.00 H new ATOM 0 HD2 LYS A 48 75.909 8.575 -2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 48 75.927 9.030 -0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 48 78.459 8.714 -0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 48 78.381 8.423 -2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 78.863 10.747 -2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 77.356 10.613 -2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 77.432 10.894 -1.141 1.00 0.00 H new ATOM 753 N GLY A 49 72.441 7.146 -0.058 1.00 0.00 N ATOM 754 CA GLY A 49 71.268 8.014 0.246 1.00 0.00 C ATOM 755 C GLY A 49 71.270 9.219 -0.696 1.00 0.00 C ATOM 756 O GLY A 49 71.398 9.080 -1.895 1.00 0.00 O ATOM 0 H GLY A 49 72.368 6.604 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 49 70.343 7.449 0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 49 71.308 8.349 1.283 1.00 0.00 H new ATOM 760 N GLY A 50 71.135 10.402 -0.162 1.00 0.00 N ATOM 761 CA GLY A 50 71.136 11.614 -1.032 1.00 0.00 C ATOM 762 C GLY A 50 69.740 12.239 -1.048 1.00 0.00 C ATOM 763 O GLY A 50 69.125 12.434 -0.020 1.00 0.00 O ATOM 0 H GLY A 50 71.024 10.582 0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 50 71.864 12.337 -0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 50 71.437 11.346 -2.045 1.00 0.00 H new ATOM 767 N SER A 51 69.236 12.553 -2.210 1.00 0.00 N ATOM 768 CA SER A 51 67.883 13.166 -2.297 1.00 0.00 C ATOM 769 C SER A 51 67.546 13.449 -3.763 1.00 0.00 C ATOM 770 O SER A 51 68.400 13.814 -4.547 1.00 0.00 O ATOM 771 CB SER A 51 67.862 14.473 -1.500 1.00 0.00 C ATOM 772 OG SER A 51 67.142 15.460 -2.229 1.00 0.00 O ATOM 0 H SER A 51 69.705 12.411 -3.104 1.00 0.00 H new ATOM 0 HA SER A 51 67.144 12.480 -1.883 1.00 0.00 H new ATOM 0 HB2 SER A 51 67.396 14.311 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 51 68.880 14.814 -1.313 1.00 0.00 H new ATOM 0 HG SER A 51 67.126 16.297 -1.719 1.00 0.00 H new ATOM 778 N GLY A 52 66.308 13.281 -4.139 1.00 0.00 N ATOM 779 CA GLY A 52 65.916 13.536 -5.555 1.00 0.00 C ATOM 780 C GLY A 52 65.287 12.271 -6.145 1.00 0.00 C ATOM 781 O GLY A 52 64.875 12.246 -7.289 1.00 0.00 O ATOM 0 H GLY A 52 65.550 12.978 -3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 52 65.209 14.364 -5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.789 13.827 -6.139 1.00 0.00 H new ATOM 785 N VAL A 53 65.210 11.220 -5.376 1.00 0.00 N ATOM 786 CA VAL A 53 64.610 9.960 -5.892 1.00 0.00 C ATOM 787 C VAL A 53 63.237 9.743 -5.248 1.00 0.00 C ATOM 788 O VAL A 53 62.509 8.841 -5.607 1.00 0.00 O ATOM 789 CB VAL A 53 65.524 8.784 -5.550 1.00 0.00 C ATOM 790 CG1 VAL A 53 65.012 7.520 -6.241 1.00 0.00 C ATOM 791 CG2 VAL A 53 66.946 9.088 -6.031 1.00 0.00 C ATOM 0 H VAL A 53 65.538 11.181 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 53 64.495 10.030 -6.974 1.00 0.00 H new ATOM 0 HB VAL A 53 65.529 8.630 -4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 53 65.665 6.682 -5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 53 64.000 7.303 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 53 65.006 7.672 -7.320 1.00 0.00 H new ATOM 0 HG21 VAL A 53 67.599 8.250 -5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 53 66.940 9.242 -7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 53 67.312 9.989 -5.538 1.00 0.00 H new ATOM 801 N TRP A 54 62.881 10.563 -4.296 1.00 0.00 N ATOM 802 CA TRP A 54 61.558 10.399 -3.631 1.00 0.00 C ATOM 803 C TRP A 54 61.077 11.752 -3.102 1.00 0.00 C ATOM 804 O TRP A 54 60.414 11.832 -2.087 1.00 0.00 O ATOM 805 CB TRP A 54 61.692 9.413 -2.469 1.00 0.00 C ATOM 806 CG TRP A 54 61.952 8.043 -3.010 1.00 0.00 C ATOM 807 CD1 TRP A 54 63.175 7.540 -3.290 1.00 0.00 C ATOM 808 CD2 TRP A 54 60.993 6.998 -3.339 1.00 0.00 C ATOM 809 NE1 TRP A 54 63.028 6.251 -3.772 1.00 0.00 N ATOM 810 CE2 TRP A 54 61.702 5.872 -3.821 1.00 0.00 C ATOM 811 CE3 TRP A 54 59.589 6.918 -3.269 1.00 0.00 C ATOM 812 CZ2 TRP A 54 61.043 4.708 -4.218 1.00 0.00 C ATOM 813 CZ3 TRP A 54 58.923 5.746 -3.668 1.00 0.00 C ATOM 814 CH2 TRP A 54 59.648 4.644 -4.142 1.00 0.00 C ATOM 0 H TRP A 54 63.448 11.337 -3.951 1.00 0.00 H new ATOM 0 HA TRP A 54 60.835 10.017 -4.351 1.00 0.00 H new ATOM 0 HB2 TRP A 54 62.506 9.717 -1.811 1.00 0.00 H new ATOM 0 HB3 TRP A 54 60.781 9.413 -1.870 1.00 0.00 H new ATOM 0 HD1 TRP A 54 64.113 8.059 -3.159 1.00 0.00 H new ATOM 0 HE1 TRP A 54 63.805 5.654 -4.056 1.00 0.00 H new ATOM 0 HE3 TRP A 54 59.021 7.762 -2.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 61.607 3.862 -4.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 57.846 5.694 -3.609 1.00 0.00 H new ATOM 0 HH2 TRP A 54 59.130 3.747 -4.448 1.00 0.00 H new ATOM 825 N GLY A 55 61.401 12.816 -3.783 1.00 0.00 N ATOM 826 CA GLY A 55 60.958 14.162 -3.318 1.00 0.00 C ATOM 827 C GLY A 55 62.174 14.985 -2.889 1.00 0.00 C ATOM 828 O GLY A 55 63.246 14.862 -3.445 1.00 0.00 O ATOM 0 H GLY A 55 61.953 12.813 -4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 55 60.423 14.675 -4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 55 60.264 14.059 -2.484 1.00 0.00 H new ATOM 832 N SER A 56 62.014 15.825 -1.902 1.00 0.00 N ATOM 833 CA SER A 56 63.159 16.655 -1.439 1.00 0.00 C ATOM 834 C SER A 56 63.618 16.172 -0.062 1.00 0.00 C ATOM 835 O SER A 56 64.326 16.862 0.645 1.00 0.00 O ATOM 836 CB SER A 56 62.723 18.118 -1.347 1.00 0.00 C ATOM 837 OG SER A 56 61.481 18.195 -0.658 1.00 0.00 O ATOM 0 H SER A 56 61.140 15.971 -1.398 1.00 0.00 H new ATOM 0 HA SER A 56 63.982 16.564 -2.147 1.00 0.00 H new ATOM 0 HB2 SER A 56 63.479 18.703 -0.824 1.00 0.00 H new ATOM 0 HB3 SER A 56 62.625 18.544 -2.346 1.00 0.00 H new ATOM 0 HG SER A 56 61.199 19.131 -0.596 1.00 0.00 H new ATOM 843 N VAL A 57 63.221 14.991 0.325 1.00 0.00 N ATOM 844 CA VAL A 57 63.635 14.464 1.656 1.00 0.00 C ATOM 845 C VAL A 57 64.990 13.752 1.521 1.00 0.00 C ATOM 846 O VAL A 57 65.088 12.746 0.845 1.00 0.00 O ATOM 847 CB VAL A 57 62.584 13.470 2.154 1.00 0.00 C ATOM 848 CG1 VAL A 57 62.670 13.358 3.678 1.00 0.00 C ATOM 849 CG2 VAL A 57 61.189 13.963 1.760 1.00 0.00 C ATOM 0 H VAL A 57 62.628 14.368 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 57 63.725 15.286 2.366 1.00 0.00 H new ATOM 0 HB VAL A 57 62.767 12.494 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 57 61.921 12.650 4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 57 63.663 13.009 3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 57 62.487 14.335 4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 57 60.439 13.255 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 57 61.008 14.939 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 57 61.125 14.046 0.675 1.00 0.00 H new ATOM 859 N PRO A 58 65.996 14.293 2.164 1.00 0.00 N ATOM 860 CA PRO A 58 67.357 13.726 2.126 1.00 0.00 C ATOM 861 C PRO A 58 67.465 12.521 3.064 1.00 0.00 C ATOM 862 O PRO A 58 66.784 12.442 4.069 1.00 0.00 O ATOM 863 CB PRO A 58 68.240 14.876 2.618 1.00 0.00 C ATOM 864 CG PRO A 58 67.319 15.813 3.435 1.00 0.00 C ATOM 865 CD PRO A 58 65.876 15.514 2.986 1.00 0.00 C ATOM 0 HA PRO A 58 67.641 13.367 1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 58 69.058 14.502 3.233 1.00 0.00 H new ATOM 0 HB3 PRO A 58 68.689 15.407 1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 58 67.437 15.636 4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 58 67.572 16.858 3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 58 65.218 15.355 3.841 1.00 0.00 H new ATOM 0 HD3 PRO A 58 65.459 16.341 2.412 1.00 0.00 H new ATOM 873 N MET A 59 68.315 11.583 2.748 1.00 0.00 N ATOM 874 CA MET A 59 68.464 10.387 3.625 1.00 0.00 C ATOM 875 C MET A 59 69.945 10.188 3.968 1.00 0.00 C ATOM 876 O MET A 59 70.801 10.348 3.120 1.00 0.00 O ATOM 877 CB MET A 59 67.937 9.150 2.897 1.00 0.00 C ATOM 878 CG MET A 59 68.207 7.905 3.744 1.00 0.00 C ATOM 879 SD MET A 59 68.220 6.441 2.679 1.00 0.00 S ATOM 880 CE MET A 59 69.539 5.549 3.540 1.00 0.00 C ATOM 0 H MET A 59 68.912 11.593 1.921 1.00 0.00 H new ATOM 0 HA MET A 59 67.895 10.536 4.543 1.00 0.00 H new ATOM 0 HB2 MET A 59 66.868 9.252 2.712 1.00 0.00 H new ATOM 0 HB3 MET A 59 68.421 9.053 1.925 1.00 0.00 H new ATOM 0 HG2 MET A 59 69.163 8.002 4.258 1.00 0.00 H new ATOM 0 HG3 MET A 59 67.441 7.802 4.513 1.00 0.00 H new ATOM 0 HE1 MET A 59 69.473 4.487 3.305 1.00 0.00 H new ATOM 0 HE2 MET A 59 70.507 5.933 3.219 1.00 0.00 H new ATOM 0 HE3 MET A 59 69.431 5.690 4.616 1.00 0.00 H new ATOM 890 N PRO A 60 70.202 9.847 5.209 1.00 0.00 N ATOM 891 CA PRO A 60 71.573 9.622 5.702 1.00 0.00 C ATOM 892 C PRO A 60 72.069 8.226 5.303 1.00 0.00 C ATOM 893 O PRO A 60 71.285 7.307 5.165 1.00 0.00 O ATOM 894 CB PRO A 60 71.425 9.728 7.222 1.00 0.00 C ATOM 895 CG PRO A 60 69.939 9.434 7.541 1.00 0.00 C ATOM 896 CD PRO A 60 69.155 9.658 6.234 1.00 0.00 C ATOM 0 HA PRO A 60 72.295 10.328 5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 60 72.078 9.016 7.726 1.00 0.00 H new ATOM 0 HB3 PRO A 60 71.707 10.721 7.571 1.00 0.00 H new ATOM 0 HG2 PRO A 60 69.814 8.411 7.897 1.00 0.00 H new ATOM 0 HG3 PRO A 60 69.574 10.093 8.329 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.519 8.804 6.000 1.00 0.00 H new ATOM 0 HD3 PRO A 60 68.505 10.530 6.304 1.00 0.00 H new ATOM 904 N PRO A 61 73.363 8.111 5.137 1.00 0.00 N ATOM 905 CA PRO A 61 74.009 6.841 4.762 1.00 0.00 C ATOM 906 C PRO A 61 74.134 5.931 5.988 1.00 0.00 C ATOM 907 O PRO A 61 74.323 6.393 7.097 1.00 0.00 O ATOM 908 CB PRO A 61 75.388 7.273 4.258 1.00 0.00 C ATOM 909 CG PRO A 61 75.668 8.659 4.889 1.00 0.00 C ATOM 910 CD PRO A 61 74.303 9.240 5.304 1.00 0.00 C ATOM 0 HA PRO A 61 73.450 6.276 4.017 1.00 0.00 H new ATOM 0 HB2 PRO A 61 76.152 6.552 4.549 1.00 0.00 H new ATOM 0 HB3 PRO A 61 75.403 7.331 3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 61 76.327 8.565 5.752 1.00 0.00 H new ATOM 0 HG3 PRO A 61 76.167 9.315 4.176 1.00 0.00 H new ATOM 0 HD2 PRO A 61 74.318 9.597 6.334 1.00 0.00 H new ATOM 0 HD3 PRO A 61 74.024 10.087 4.678 1.00 0.00 H new ATOM 918 N GLN A 62 74.028 4.644 5.804 1.00 0.00 N ATOM 919 CA GLN A 62 74.137 3.716 6.965 1.00 0.00 C ATOM 920 C GLN A 62 75.468 2.962 6.900 1.00 0.00 C ATOM 921 O GLN A 62 76.201 3.056 5.937 1.00 0.00 O ATOM 922 CB GLN A 62 72.977 2.720 6.930 1.00 0.00 C ATOM 923 CG GLN A 62 71.663 3.474 6.718 1.00 0.00 C ATOM 924 CD GLN A 62 71.404 4.395 7.912 1.00 0.00 C ATOM 925 OE1 GLN A 62 72.123 4.355 8.890 1.00 0.00 O ATOM 926 NE2 GLN A 62 70.400 5.228 7.874 1.00 0.00 N ATOM 0 H GLN A 62 73.871 4.195 4.902 1.00 0.00 H new ATOM 0 HA GLN A 62 74.096 4.288 7.892 1.00 0.00 H new ATOM 0 HB2 GLN A 62 73.128 1.998 6.127 1.00 0.00 H new ATOM 0 HB3 GLN A 62 72.939 2.157 7.862 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.711 4.058 5.799 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.840 2.768 6.605 1.00 0.00 H new ATOM 0 HE21 GLN A 62 69.796 5.262 7.053 1.00 0.00 H new ATOM 0 HE22 GLN A 62 70.219 5.845 8.666 1.00 0.00 H new ATOM 935 N ASN A 63 75.786 2.218 7.925 1.00 0.00 N ATOM 936 CA ASN A 63 77.071 1.463 7.929 1.00 0.00 C ATOM 937 C ASN A 63 76.815 0.008 7.526 1.00 0.00 C ATOM 938 O ASN A 63 77.246 -0.914 8.191 1.00 0.00 O ATOM 939 CB ASN A 63 77.675 1.504 9.333 1.00 0.00 C ATOM 940 CG ASN A 63 78.306 2.876 9.578 1.00 0.00 C ATOM 941 OD1 ASN A 63 79.308 3.212 8.979 1.00 0.00 O ATOM 942 ND2 ASN A 63 77.757 3.689 10.438 1.00 0.00 N ATOM 0 H ASN A 63 75.211 2.101 8.759 1.00 0.00 H new ATOM 0 HA ASN A 63 77.762 1.917 7.218 1.00 0.00 H new ATOM 0 HB2 ASN A 63 76.904 1.309 10.078 1.00 0.00 H new ATOM 0 HB3 ASN A 63 78.427 0.722 9.440 1.00 0.00 H new ATOM 0 HD21 ASN A 63 78.169 4.607 10.607 1.00 0.00 H new ATOM 0 HD22 ASN A 63 76.916 3.407 10.941 1.00 0.00 H new ATOM 949 N VAL A 64 76.118 -0.207 6.444 1.00 0.00 N ATOM 950 CA VAL A 64 75.840 -1.603 6.003 1.00 0.00 C ATOM 951 C VAL A 64 76.913 -2.051 5.012 1.00 0.00 C ATOM 952 O VAL A 64 77.477 -1.253 4.289 1.00 0.00 O ATOM 953 CB VAL A 64 74.472 -1.665 5.322 1.00 0.00 C ATOM 954 CG1 VAL A 64 73.374 -1.395 6.351 1.00 0.00 C ATOM 955 CG2 VAL A 64 74.406 -0.608 4.216 1.00 0.00 C ATOM 0 H VAL A 64 75.729 0.523 5.847 1.00 0.00 H new ATOM 0 HA VAL A 64 75.846 -2.260 6.873 1.00 0.00 H new ATOM 0 HB VAL A 64 74.327 -2.655 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 64 72.400 -1.440 5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 64 73.421 -2.147 7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 64 73.518 -0.406 6.785 1.00 0.00 H new ATOM 0 HG21 VAL A 64 73.432 -0.651 3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 64 74.552 0.381 4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 64 75.187 -0.801 3.481 1.00 0.00 H new ATOM 965 N THR A 65 77.194 -3.323 4.965 1.00 0.00 N ATOM 966 CA THR A 65 78.224 -3.821 4.013 1.00 0.00 C ATOM 967 C THR A 65 77.612 -3.901 2.613 1.00 0.00 C ATOM 968 O THR A 65 76.503 -3.458 2.387 1.00 0.00 O ATOM 969 CB THR A 65 78.694 -5.212 4.446 1.00 0.00 C ATOM 970 OG1 THR A 65 77.624 -6.137 4.311 1.00 0.00 O ATOM 971 CG2 THR A 65 79.152 -5.169 5.906 1.00 0.00 C ATOM 0 H THR A 65 76.755 -4.039 5.544 1.00 0.00 H new ATOM 0 HA THR A 65 79.076 -3.141 4.005 1.00 0.00 H new ATOM 0 HB THR A 65 79.527 -5.525 3.816 1.00 0.00 H new ATOM 0 HG1 THR A 65 77.925 -7.028 4.586 1.00 0.00 H new ATOM 0 HG21 THR A 65 79.486 -6.160 6.212 1.00 0.00 H new ATOM 0 HG22 THR A 65 79.975 -4.461 6.009 1.00 0.00 H new ATOM 0 HG23 THR A 65 78.322 -4.855 6.539 1.00 0.00 H new ATOM 979 N ASP A 66 78.321 -4.457 1.672 1.00 0.00 N ATOM 980 CA ASP A 66 77.774 -4.556 0.294 1.00 0.00 C ATOM 981 C ASP A 66 76.743 -5.683 0.233 1.00 0.00 C ATOM 982 O ASP A 66 75.727 -5.572 -0.425 1.00 0.00 O ATOM 983 CB ASP A 66 78.910 -4.846 -0.690 1.00 0.00 C ATOM 984 CG ASP A 66 78.901 -3.798 -1.803 1.00 0.00 C ATOM 985 OD1 ASP A 66 77.997 -3.840 -2.622 1.00 0.00 O ATOM 986 OD2 ASP A 66 79.798 -2.970 -1.818 1.00 0.00 O ATOM 0 H ASP A 66 79.255 -4.847 1.799 1.00 0.00 H new ATOM 0 HA ASP A 66 77.296 -3.614 0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 66 79.868 -4.832 -0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 66 78.792 -5.843 -1.114 1.00 0.00 H new ATOM 991 N ALA A 67 76.991 -6.766 0.915 1.00 0.00 N ATOM 992 CA ALA A 67 76.019 -7.893 0.896 1.00 0.00 C ATOM 993 C ALA A 67 74.729 -7.454 1.589 1.00 0.00 C ATOM 994 O ALA A 67 73.638 -7.721 1.123 1.00 0.00 O ATOM 995 CB ALA A 67 76.615 -9.094 1.634 1.00 0.00 C ATOM 0 H ALA A 67 77.824 -6.919 1.484 1.00 0.00 H new ATOM 0 HA ALA A 67 75.803 -8.175 -0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 67 75.903 -9.919 1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 67 77.538 -9.402 1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.829 -8.817 2.666 1.00 0.00 H new ATOM 1001 N GLU A 68 74.844 -6.778 2.701 1.00 0.00 N ATOM 1002 CA GLU A 68 73.626 -6.318 3.423 1.00 0.00 C ATOM 1003 C GLU A 68 72.790 -5.440 2.495 1.00 0.00 C ATOM 1004 O GLU A 68 71.585 -5.573 2.413 1.00 0.00 O ATOM 1005 CB GLU A 68 74.037 -5.513 4.657 1.00 0.00 C ATOM 1006 CG GLU A 68 74.045 -6.427 5.884 1.00 0.00 C ATOM 1007 CD GLU A 68 74.902 -5.799 6.983 1.00 0.00 C ATOM 1008 OE1 GLU A 68 74.741 -4.614 7.229 1.00 0.00 O ATOM 1009 OE2 GLU A 68 75.706 -6.512 7.561 1.00 0.00 O ATOM 0 H GLU A 68 75.730 -6.525 3.139 1.00 0.00 H new ATOM 0 HA GLU A 68 73.038 -7.181 3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 68 75.025 -5.078 4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 68 73.345 -4.685 4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 68 73.027 -6.579 6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 68 74.439 -7.408 5.617 1.00 0.00 H new ATOM 1016 N ALA A 69 73.421 -4.542 1.791 1.00 0.00 N ATOM 1017 CA ALA A 69 72.664 -3.655 0.864 1.00 0.00 C ATOM 1018 C ALA A 69 72.016 -4.506 -0.229 1.00 0.00 C ATOM 1019 O ALA A 69 70.927 -4.222 -0.691 1.00 0.00 O ATOM 1020 CB ALA A 69 73.620 -2.644 0.226 1.00 0.00 C ATOM 0 H ALA A 69 74.428 -4.384 1.817 1.00 0.00 H new ATOM 0 HA ALA A 69 71.893 -3.120 1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 69 73.065 -1.996 -0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 69 74.085 -2.041 1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 69 74.392 -3.175 -0.331 1.00 0.00 H new ATOM 1026 N LYS A 70 72.679 -5.548 -0.646 1.00 0.00 N ATOM 1027 CA LYS A 70 72.109 -6.419 -1.708 1.00 0.00 C ATOM 1028 C LYS A 70 70.815 -7.066 -1.206 1.00 0.00 C ATOM 1029 O LYS A 70 69.827 -7.120 -1.908 1.00 0.00 O ATOM 1030 CB LYS A 70 73.116 -7.512 -2.067 1.00 0.00 C ATOM 1031 CG LYS A 70 73.282 -7.571 -3.586 1.00 0.00 C ATOM 1032 CD LYS A 70 74.767 -7.675 -3.934 1.00 0.00 C ATOM 1033 CE LYS A 70 74.956 -8.687 -5.065 1.00 0.00 C ATOM 1034 NZ LYS A 70 74.685 -10.061 -4.552 1.00 0.00 N ATOM 0 H LYS A 70 73.593 -5.834 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 70 71.894 -5.816 -2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 70 74.076 -7.307 -1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 70 72.773 -8.476 -1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 70 72.743 -8.429 -3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 70 72.852 -6.680 -4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 70 75.150 -6.700 -4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 70 75.336 -7.983 -3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 70 74.283 -8.456 -5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 70 75.972 -8.627 -5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 75.247 -10.750 -5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 74.944 -10.113 -3.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 73.674 -10.279 -4.661 1.00 0.00 H new ATOM 1048 N GLN A 71 70.815 -7.560 0.002 1.00 0.00 N ATOM 1049 CA GLN A 71 69.587 -8.205 0.539 1.00 0.00 C ATOM 1050 C GLN A 71 68.516 -7.147 0.791 1.00 0.00 C ATOM 1051 O GLN A 71 67.340 -7.440 0.799 1.00 0.00 O ATOM 1052 CB GLN A 71 69.909 -8.918 1.854 1.00 0.00 C ATOM 1053 CG GLN A 71 68.605 -9.353 2.526 1.00 0.00 C ATOM 1054 CD GLN A 71 68.297 -8.423 3.702 1.00 0.00 C ATOM 1055 OE1 GLN A 71 68.988 -8.439 4.701 1.00 0.00 O ATOM 1056 NE2 GLN A 71 67.281 -7.604 3.626 1.00 0.00 N ATOM 0 H GLN A 71 71.612 -7.544 0.638 1.00 0.00 H new ATOM 0 HA GLN A 71 69.220 -8.929 -0.188 1.00 0.00 H new ATOM 0 HB2 GLN A 71 70.541 -9.786 1.665 1.00 0.00 H new ATOM 0 HB3 GLN A 71 70.468 -8.254 2.514 1.00 0.00 H new ATOM 0 HG2 GLN A 71 67.787 -9.328 1.806 1.00 0.00 H new ATOM 0 HG3 GLN A 71 68.690 -10.382 2.876 1.00 0.00 H new ATOM 0 HE21 GLN A 71 66.700 -7.589 2.788 1.00 0.00 H new ATOM 0 HE22 GLN A 71 67.070 -6.980 4.405 1.00 0.00 H new ATOM 1065 N LEU A 72 68.906 -5.921 0.999 1.00 0.00 N ATOM 1066 CA LEU A 72 67.891 -4.862 1.249 1.00 0.00 C ATOM 1067 C LEU A 72 67.238 -4.467 -0.072 1.00 0.00 C ATOM 1068 O LEU A 72 66.121 -3.990 -0.106 1.00 0.00 O ATOM 1069 CB LEU A 72 68.560 -3.641 1.882 1.00 0.00 C ATOM 1070 CG LEU A 72 69.103 -4.016 3.261 1.00 0.00 C ATOM 1071 CD1 LEU A 72 70.061 -2.926 3.747 1.00 0.00 C ATOM 1072 CD2 LEU A 72 67.941 -4.150 4.247 1.00 0.00 C ATOM 0 H LEU A 72 69.877 -5.608 1.007 1.00 0.00 H new ATOM 0 HA LEU A 72 67.130 -5.242 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 72 69.370 -3.285 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.843 -2.825 1.971 1.00 0.00 H new ATOM 0 HG LEU A 72 69.636 -4.965 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 72 70.448 -3.194 4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 72 70.889 -2.830 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 72 69.529 -1.977 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 72 68.327 -4.417 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.408 -3.202 4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 72 67.259 -4.927 3.902 1.00 0.00 H new ATOM 1084 N ALA A 73 67.918 -4.672 -1.165 1.00 0.00 N ATOM 1085 CA ALA A 73 67.320 -4.320 -2.479 1.00 0.00 C ATOM 1086 C ALA A 73 66.446 -5.483 -2.945 1.00 0.00 C ATOM 1087 O ALA A 73 65.291 -5.309 -3.278 1.00 0.00 O ATOM 1088 CB ALA A 73 68.433 -4.067 -3.500 1.00 0.00 C ATOM 0 H ALA A 73 68.858 -5.066 -1.204 1.00 0.00 H new ATOM 0 HA ALA A 73 66.716 -3.417 -2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 73 67.992 -3.809 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 73 69.061 -3.245 -3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 73 69.039 -4.967 -3.608 1.00 0.00 H new ATOM 1094 N GLN A 74 66.983 -6.671 -2.955 1.00 0.00 N ATOM 1095 CA GLN A 74 66.175 -7.844 -3.381 1.00 0.00 C ATOM 1096 C GLN A 74 65.057 -8.066 -2.362 1.00 0.00 C ATOM 1097 O GLN A 74 64.003 -8.581 -2.684 1.00 0.00 O ATOM 1098 CB GLN A 74 67.064 -9.088 -3.450 1.00 0.00 C ATOM 1099 CG GLN A 74 67.932 -9.030 -4.711 1.00 0.00 C ATOM 1100 CD GLN A 74 67.065 -9.285 -5.947 1.00 0.00 C ATOM 1101 OE1 GLN A 74 66.533 -8.363 -6.530 1.00 0.00 O ATOM 1102 NE2 GLN A 74 66.902 -10.508 -6.373 1.00 0.00 N ATOM 0 H GLN A 74 67.945 -6.879 -2.687 1.00 0.00 H new ATOM 0 HA GLN A 74 65.748 -7.660 -4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 74 67.696 -9.145 -2.564 1.00 0.00 H new ATOM 0 HB3 GLN A 74 66.448 -9.987 -3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 74 68.414 -8.055 -4.788 1.00 0.00 H new ATOM 0 HG3 GLN A 74 68.726 -9.774 -4.652 1.00 0.00 H new ATOM 0 HE21 GLN A 74 67.349 -11.283 -5.883 1.00 0.00 H new ATOM 0 HE22 GLN A 74 66.327 -10.689 -7.196 1.00 0.00 H new ATOM 1111 N TRP A 75 65.273 -7.675 -1.133 1.00 0.00 N ATOM 1112 CA TRP A 75 64.217 -7.859 -0.099 1.00 0.00 C ATOM 1113 C TRP A 75 63.156 -6.767 -0.257 1.00 0.00 C ATOM 1114 O TRP A 75 61.974 -7.041 -0.312 1.00 0.00 O ATOM 1115 CB TRP A 75 64.840 -7.763 1.293 1.00 0.00 C ATOM 1116 CG TRP A 75 63.760 -7.724 2.324 1.00 0.00 C ATOM 1117 CD1 TRP A 75 62.763 -8.629 2.447 1.00 0.00 C ATOM 1118 CD2 TRP A 75 63.555 -6.743 3.378 1.00 0.00 C ATOM 1119 NE1 TRP A 75 61.959 -8.265 3.512 1.00 0.00 N ATOM 1120 CE2 TRP A 75 62.407 -7.107 4.119 1.00 0.00 C ATOM 1121 CE3 TRP A 75 64.251 -5.582 3.757 1.00 0.00 C ATOM 1122 CZ2 TRP A 75 61.965 -6.345 5.201 1.00 0.00 C ATOM 1123 CZ3 TRP A 75 63.808 -4.812 4.846 1.00 0.00 C ATOM 1124 CH2 TRP A 75 62.668 -5.193 5.566 1.00 0.00 C ATOM 0 H TRP A 75 66.133 -7.238 -0.803 1.00 0.00 H new ATOM 0 HA TRP A 75 63.756 -8.839 -0.223 1.00 0.00 H new ATOM 0 HB2 TRP A 75 65.494 -8.617 1.469 1.00 0.00 H new ATOM 0 HB3 TRP A 75 65.458 -6.868 1.365 1.00 0.00 H new ATOM 0 HD1 TRP A 75 62.618 -9.494 1.817 1.00 0.00 H new ATOM 0 HE1 TRP A 75 61.136 -8.787 3.813 1.00 0.00 H new ATOM 0 HE3 TRP A 75 65.131 -5.280 3.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 61.086 -6.643 5.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 64.349 -3.922 5.130 1.00 0.00 H new ATOM 0 HH2 TRP A 75 62.333 -4.597 6.402 1.00 0.00 H new ATOM 1135 N ILE A 76 63.568 -5.530 -0.335 1.00 0.00 N ATOM 1136 CA ILE A 76 62.578 -4.426 -0.492 1.00 0.00 C ATOM 1137 C ILE A 76 61.898 -4.548 -1.858 1.00 0.00 C ATOM 1138 O ILE A 76 60.878 -3.938 -2.111 1.00 0.00 O ATOM 1139 CB ILE A 76 63.296 -3.077 -0.391 1.00 0.00 C ATOM 1140 CG1 ILE A 76 63.641 -2.791 1.073 1.00 0.00 C ATOM 1141 CG2 ILE A 76 62.389 -1.963 -0.923 1.00 0.00 C ATOM 1142 CD1 ILE A 76 64.539 -1.554 1.153 1.00 0.00 C ATOM 0 H ILE A 76 64.544 -5.237 -0.297 1.00 0.00 H new ATOM 0 HA ILE A 76 61.827 -4.492 0.295 1.00 0.00 H new ATOM 0 HB ILE A 76 64.209 -3.113 -0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 76 62.729 -2.629 1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 76 64.147 -3.650 1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 76 62.906 -1.006 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 76 62.142 -2.162 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 76 61.473 -1.927 -0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 76 64.785 -1.350 2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 76 65.456 -1.733 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 76 64.016 -0.697 0.729 1.00 0.00 H new ATOM 1154 N LEU A 77 62.452 -5.334 -2.740 1.00 0.00 N ATOM 1155 CA LEU A 77 61.832 -5.496 -4.085 1.00 0.00 C ATOM 1156 C LEU A 77 60.824 -6.645 -4.037 1.00 0.00 C ATOM 1157 O LEU A 77 59.747 -6.563 -4.594 1.00 0.00 O ATOM 1158 CB LEU A 77 62.917 -5.809 -5.117 1.00 0.00 C ATOM 1159 CG LEU A 77 63.759 -4.557 -5.371 1.00 0.00 C ATOM 1160 CD1 LEU A 77 65.035 -4.944 -6.121 1.00 0.00 C ATOM 1161 CD2 LEU A 77 62.955 -3.563 -6.212 1.00 0.00 C ATOM 0 H LEU A 77 63.306 -5.870 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 77 61.324 -4.574 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 77 63.551 -6.620 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 77 62.461 -6.148 -6.047 1.00 0.00 H new ATOM 0 HG LEU A 77 64.022 -4.097 -4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 77 65.635 -4.052 -6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 77 65.608 -5.652 -5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 77 64.772 -5.404 -7.074 1.00 0.00 H new ATOM 0 HD21 LEU A 77 63.555 -2.671 -6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 77 62.691 -4.022 -7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 77 62.046 -3.287 -5.678 1.00 0.00 H new ATOM 1173 N SER A 78 61.160 -7.713 -3.368 1.00 0.00 N ATOM 1174 CA SER A 78 60.217 -8.862 -3.279 1.00 0.00 C ATOM 1175 C SER A 78 58.985 -8.439 -2.479 1.00 0.00 C ATOM 1176 O SER A 78 57.865 -8.751 -2.833 1.00 0.00 O ATOM 1177 CB SER A 78 60.904 -10.035 -2.579 1.00 0.00 C ATOM 1178 OG SER A 78 60.666 -11.225 -3.319 1.00 0.00 O ATOM 0 H SER A 78 62.046 -7.839 -2.879 1.00 0.00 H new ATOM 0 HA SER A 78 59.916 -9.168 -4.281 1.00 0.00 H new ATOM 0 HB2 SER A 78 61.975 -9.850 -2.500 1.00 0.00 H new ATOM 0 HB3 SER A 78 60.523 -10.142 -1.563 1.00 0.00 H new ATOM 0 HG SER A 78 61.106 -11.980 -2.875 1.00 0.00 H new ATOM 1184 N ILE A 79 59.182 -7.726 -1.403 1.00 0.00 N ATOM 1185 CA ILE A 79 58.023 -7.277 -0.582 1.00 0.00 C ATOM 1186 C ILE A 79 56.942 -6.713 -1.510 1.00 0.00 C ATOM 1187 O ILE A 79 57.232 -6.142 -2.543 1.00 0.00 O ATOM 1188 CB ILE A 79 58.492 -6.198 0.409 1.00 0.00 C ATOM 1189 CG1 ILE A 79 59.099 -6.875 1.641 1.00 0.00 C ATOM 1190 CG2 ILE A 79 57.309 -5.329 0.847 1.00 0.00 C ATOM 1191 CD1 ILE A 79 59.610 -5.807 2.612 1.00 0.00 C ATOM 0 H ILE A 79 60.097 -7.435 -1.057 1.00 0.00 H new ATOM 0 HA ILE A 79 57.611 -8.116 -0.022 1.00 0.00 H new ATOM 0 HB ILE A 79 59.236 -5.568 -0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 79 58.352 -7.499 2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 79 59.917 -7.531 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 79 57.655 -4.570 1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 79 56.871 -4.844 -0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 79 56.558 -5.954 1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 79 60.042 -6.289 3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 79 60.371 -5.201 2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 79 58.782 -5.169 2.920 1.00 0.00 H new ATOM 1203 N LYS A 80 55.696 -6.869 -1.151 1.00 0.00 N ATOM 1204 CA LYS A 80 54.600 -6.344 -2.012 1.00 0.00 C ATOM 1205 C LYS A 80 54.017 -5.079 -1.381 1.00 0.00 C ATOM 1206 O LYS A 80 54.412 -4.756 -0.273 1.00 0.00 O ATOM 1207 CB LYS A 80 53.503 -7.404 -2.141 1.00 0.00 C ATOM 1208 CG LYS A 80 53.996 -8.541 -3.039 1.00 0.00 C ATOM 1209 CD LYS A 80 53.128 -9.782 -2.812 1.00 0.00 C ATOM 1210 CE LYS A 80 52.184 -9.968 -4.001 1.00 0.00 C ATOM 1211 NZ LYS A 80 51.927 -11.422 -4.207 1.00 0.00 N ATOM 1212 OXT LYS A 80 53.183 -4.455 -2.017 1.00 0.00 O ATOM 0 H LYS A 80 55.391 -7.338 -0.298 1.00 0.00 H new ATOM 0 HA LYS A 80 54.994 -6.107 -3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 80 53.239 -7.792 -1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 80 52.601 -6.960 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 80 53.951 -8.238 -4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 80 55.039 -8.768 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 80 53.758 -10.663 -2.693 1.00 0.00 H new ATOM 0 HD3 LYS A 80 52.554 -9.674 -1.892 1.00 0.00 H new ATOM 0 HE2 LYS A 80 51.246 -9.444 -3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 80 52.623 -9.534 -4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 51.285 -11.550 -5.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 52.826 -11.910 -4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 51.491 -11.822 -3.352 1.00 0.00 H new TER 1226 LYS A 80 HETATM 1227 FE HEC A 81 65.854 5.114 3.808 1.00 0.00 FE HETATM 1228 CHA HEC A 81 65.159 6.246 0.711 1.00 0.00 C HETATM 1229 CHB HEC A 81 66.582 2.064 2.550 1.00 0.00 C HETATM 1230 CHC HEC A 81 66.801 4.084 6.877 1.00 0.00 C HETATM 1231 CHD HEC A 81 64.785 8.041 5.120 1.00 0.00 C HETATM 1232 NA HEC A 81 65.857 4.324 2.025 1.00 0.00 N HETATM 1233 C1A HEC A 81 65.547 4.934 0.832 1.00 0.00 C HETATM 1234 C2A HEC A 81 65.632 4.011 -0.271 1.00 0.00 C HETATM 1235 C3A HEC A 81 66.002 2.823 0.252 1.00 0.00 C HETATM 1236 C4A HEC A 81 66.154 3.029 1.671 1.00 0.00 C HETATM 1237 CMA HEC A 81 66.195 1.513 -0.492 1.00 0.00 C HETATM 1238 CAA HEC A 81 65.346 4.323 -1.730 1.00 0.00 C HETATM 1239 CBA HEC A 81 66.394 5.286 -2.296 1.00 0.00 C HETATM 1240 CGA HEC A 81 66.702 4.911 -3.746 1.00 0.00 C HETATM 1241 O1A HEC A 81 66.798 3.728 -4.025 1.00 0.00 O HETATM 1242 O2A HEC A 81 66.839 5.815 -4.555 1.00 0.00 O HETATM 1243 NB HEC A 81 66.532 3.437 4.551 1.00 0.00 N HETATM 1244 C1B HEC A 81 66.775 2.252 3.896 1.00 0.00 C HETATM 1245 C2B HEC A 81 67.295 1.243 4.795 1.00 0.00 C HETATM 1246 C3B HEC A 81 67.357 1.821 6.015 1.00 0.00 C HETATM 1247 C4B HEC A 81 66.889 3.175 5.852 1.00 0.00 C HETATM 1248 CMB HEC A 81 67.722 -0.166 4.414 1.00 0.00 C HETATM 1249 CAB HEC A 81 67.848 1.216 7.336 1.00 0.00 C HETATM 1250 CBB HEC A 81 69.365 1.020 7.341 1.00 0.00 C HETATM 1251 NC HEC A 81 65.835 5.903 5.594 1.00 0.00 N HETATM 1252 C1C HEC A 81 66.311 5.360 6.762 1.00 0.00 C HETATM 1253 C2C HEC A 81 66.096 6.247 7.879 1.00 0.00 C HETATM 1254 C3C HEC A 81 65.409 7.305 7.409 1.00 0.00 C HETATM 1255 C4C HEC A 81 65.309 7.114 5.981 1.00 0.00 C HETATM 1256 CMC HEC A 81 66.623 6.062 9.292 1.00 0.00 C HETATM 1257 CAC HEC A 81 64.710 8.394 8.218 1.00 0.00 C HETATM 1258 CBC HEC A 81 65.614 9.060 9.257 1.00 0.00 C HETATM 1259 ND HEC A 81 65.152 6.784 3.075 1.00 0.00 N HETATM 1260 C1D HEC A 81 64.724 7.899 3.757 1.00 0.00 C HETATM 1261 C2D HEC A 81 64.273 8.931 2.858 1.00 0.00 C HETATM 1262 C3D HEC A 81 64.460 8.458 1.611 1.00 0.00 C HETATM 1263 C4D HEC A 81 64.973 7.116 1.755 1.00 0.00 C HETATM 1264 CMD HEC A 81 63.681 10.277 3.247 1.00 0.00 C HETATM 1265 CAD HEC A 81 64.249 9.216 0.312 1.00 0.00 C HETATM 1266 CBD HEC A 81 65.578 9.749 -0.226 1.00 0.00 C HETATM 1267 CGD HEC A 81 65.541 9.763 -1.755 1.00 0.00 C HETATM 1268 O1D HEC A 81 64.724 10.487 -2.301 1.00 0.00 O HETATM 1269 O2D HEC A 81 66.330 9.052 -2.354 1.00 0.00 O HETATM 0 HMD3 HEC A 81 62.777 10.120 3.835 1.00 0.00 H new HETATM 0 HMD2 HEC A 81 64.406 10.836 3.839 1.00 0.00 H new HETATM 0 HMD1 HEC A 81 63.436 10.840 2.347 1.00 0.00 H new HETATM 0 HMC3 HEC A 81 66.239 5.129 9.704 1.00 0.00 H new HETATM 0 HMC2 HEC A 81 67.712 6.029 9.273 1.00 0.00 H new HETATM 0 HMC1 HEC A 81 66.296 6.895 9.914 1.00 0.00 H new HETATM 0 HMB3 HEC A 81 66.874 -0.699 3.984 1.00 0.00 H new HETATM 0 HMB2 HEC A 81 68.528 -0.116 3.682 1.00 0.00 H new HETATM 0 HMB1 HEC A 81 68.070 -0.693 5.302 1.00 0.00 H new HETATM 0 HMA3 HEC A 81 65.259 1.226 -0.972 1.00 0.00 H new HETATM 0 HMA2 HEC A 81 66.969 1.636 -1.250 1.00 0.00 H new HETATM 0 HMA1 HEC A 81 66.496 0.736 0.211 1.00 0.00 H new HETATM 0 HBD2 HEC A 81 65.759 10.755 0.153 1.00 0.00 H new HETATM 0 HBD1 HEC A 81 66.400 9.124 0.123 1.00 0.00 H new HETATM 0 HBC3 HEC A 81 65.972 8.310 9.962 1.00 0.00 H new HETATM 0 HBC2 HEC A 81 66.465 9.522 8.756 1.00 0.00 H new HETATM 0 HBC1 HEC A 81 65.051 9.823 9.794 1.00 0.00 H new HETATM 0 HBB3 HEC A 81 69.648 0.348 6.531 1.00 0.00 H new HETATM 0 HBB2 HEC A 81 69.857 1.983 7.202 1.00 0.00 H new HETATM 0 HBB1 HEC A 81 69.673 0.590 8.294 1.00 0.00 H new HETATM 0 HBA2 HEC A 81 66.027 6.311 -2.245 1.00 0.00 H new HETATM 0 HBA1 HEC A 81 67.304 5.243 -1.697 1.00 0.00 H new HETATM 0 HAD2 HEC A 81 63.789 8.560 -0.427 1.00 0.00 H new HETATM 0 HAD1 HEC A 81 63.559 10.044 0.476 1.00 0.00 H new HETATM 0 HAA2 HEC A 81 65.343 3.400 -2.310 1.00 0.00 H new HETATM 0 HAA1 HEC A 81 64.353 4.762 -1.825 1.00 0.00 H new HETATM 0 HHD HEC A 81 64.387 8.960 5.550 1.00 0.00 H new HETATM 0 HHC HEC A 81 67.148 3.767 7.860 1.00 0.00 H new HETATM 0 HHB HEC A 81 66.784 1.072 2.147 1.00 0.00 H new HETATM 0 HHA HEC A 81 64.985 6.626 -0.296 1.00 0.00 H new