USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 605 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.6!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -170:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -151:sc= -0.183 (180deg=-1.11) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.619 X(o=-0.62,f=-0.31) USER MOD Single : A 34 THR OG1 : rot 133:sc= 0.95 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -117:sc= 0 (180deg=-0.059) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 50 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 51 SER OG : rot 91:sc= 0.00517 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0103) USER MOD Single : A 69 THR OG1 : rot -150:sc= -1.33 USER MOD Single : A 71 ASN : amide:sc= -1.16! X(o=-1.2!,f=-0.87) USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= -0.0538 (180deg=-0.524) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.5!) USER MOD Single : A 81 GLN : amide:sc= -1.65 K(o=-1.6,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 3.192 -14.562 6.518 1.00 0.00 N ATOM 24 CA GLU A 4 3.687 -13.248 6.891 1.00 0.00 C ATOM 25 C GLU A 4 4.478 -12.631 5.737 1.00 0.00 C ATOM 26 O GLU A 4 4.921 -11.487 5.826 1.00 0.00 O ATOM 27 CB GLU A 4 4.537 -13.323 8.161 1.00 0.00 C ATOM 28 CG GLU A 4 4.308 -12.097 9.048 1.00 0.00 C ATOM 29 CD GLU A 4 5.275 -12.090 10.233 1.00 0.00 C ATOM 30 OE1 GLU A 4 6.489 -12.242 9.977 1.00 0.00 O ATOM 31 OE2 GLU A 4 4.778 -11.933 11.370 1.00 0.00 O ATOM 0 HA GLU A 4 2.832 -12.606 7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.290 -14.228 8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.591 -13.391 7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.441 -11.189 8.460 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.281 -12.094 9.412 1.00 0.00 H new ATOM 38 N ALA A 5 4.632 -13.415 4.680 1.00 0.00 N ATOM 39 CA ALA A 5 5.362 -12.959 3.510 1.00 0.00 C ATOM 40 C ALA A 5 4.509 -11.945 2.745 1.00 0.00 C ATOM 41 O ALA A 5 5.012 -11.235 1.875 1.00 0.00 O ATOM 42 CB ALA A 5 5.749 -14.163 2.648 1.00 0.00 C ATOM 0 H ALA A 5 4.263 -14.363 4.610 1.00 0.00 H new ATOM 0 HA ALA A 5 6.284 -12.459 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.297 -13.821 1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.378 -14.838 3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.848 -14.688 2.331 1.00 0.00 H new ATOM 48 N ILE A 6 3.233 -11.908 3.097 1.00 0.00 N ATOM 49 CA ILE A 6 2.304 -10.992 2.455 1.00 0.00 C ATOM 50 C ILE A 6 2.304 -9.662 3.210 1.00 0.00 C ATOM 51 O ILE A 6 2.400 -8.598 2.600 1.00 0.00 O ATOM 52 CB ILE A 6 0.920 -11.631 2.333 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.773 -12.371 1.002 1.00 0.00 C ATOM 54 CG2 ILE A 6 -0.184 -10.590 2.535 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.609 -13.016 0.883 1.00 0.00 C ATOM 0 H ILE A 6 2.819 -12.498 3.819 1.00 0.00 H new ATOM 0 HA ILE A 6 2.622 -10.779 1.434 1.00 0.00 H new ATOM 0 HB ILE A 6 0.814 -12.371 3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.926 -11.676 0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.544 -13.137 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.158 -11.070 2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.090 -10.147 3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.091 -9.810 1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.687 -13.535 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.749 -13.728 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.377 -12.244 0.940 1.00 0.00 H new ATOM 67 N LYS A 7 2.194 -9.764 4.526 1.00 0.00 N ATOM 68 CA LYS A 7 2.179 -8.582 5.370 1.00 0.00 C ATOM 69 C LYS A 7 3.539 -7.884 5.287 1.00 0.00 C ATOM 70 O LYS A 7 3.611 -6.656 5.294 1.00 0.00 O ATOM 71 CB LYS A 7 1.762 -8.946 6.796 1.00 0.00 C ATOM 72 CG LYS A 7 0.847 -7.875 7.391 1.00 0.00 C ATOM 73 CD LYS A 7 1.158 -7.648 8.873 1.00 0.00 C ATOM 74 CE LYS A 7 0.451 -8.686 9.746 1.00 0.00 C ATOM 75 NZ LYS A 7 0.708 -8.419 11.179 1.00 0.00 N ATOM 0 H LYS A 7 2.114 -10.648 5.029 1.00 0.00 H new ATOM 0 HA LYS A 7 1.432 -7.871 5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.249 -9.908 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.649 -9.059 7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.970 -6.941 6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.194 -8.177 7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.234 -7.704 9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.843 -6.646 9.165 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.621 -8.663 9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.800 -9.686 9.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.221 -9.133 11.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.731 -8.464 11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.353 -7.473 11.425 1.00 0.00 H new ATOM 89 N ASN A 8 4.582 -8.697 5.210 1.00 0.00 N ATOM 90 CA ASN A 8 5.935 -8.173 5.125 1.00 0.00 C ATOM 91 C ASN A 8 6.171 -7.610 3.722 1.00 0.00 C ATOM 92 O ASN A 8 6.486 -6.430 3.567 1.00 0.00 O ATOM 93 CB ASN A 8 6.968 -9.273 5.373 1.00 0.00 C ATOM 94 CG ASN A 8 8.236 -8.701 6.012 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.402 -7.501 6.153 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.115 -9.624 6.389 1.00 0.00 N ATOM 0 H ASN A 8 4.518 -9.715 5.205 1.00 0.00 H new ATOM 0 HA ASN A 8 6.045 -7.398 5.883 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.542 -10.037 6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.219 -9.760 4.431 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.993 -9.344 6.827 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.912 -10.612 6.241 1.00 0.00 H new ATOM 103 N GLY A 9 6.012 -8.480 2.735 1.00 0.00 N ATOM 104 CA GLY A 9 6.205 -8.085 1.350 1.00 0.00 C ATOM 105 C GLY A 9 5.447 -6.793 1.039 1.00 0.00 C ATOM 106 O GLY A 9 5.997 -5.876 0.431 1.00 0.00 O ATOM 0 H GLY A 9 5.752 -9.457 2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.268 -7.944 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.861 -8.881 0.690 1.00 0.00 H new ATOM 110 N VAL A 10 4.194 -6.761 1.469 1.00 0.00 N ATOM 111 CA VAL A 10 3.354 -5.597 1.242 1.00 0.00 C ATOM 112 C VAL A 10 4.038 -4.359 1.827 1.00 0.00 C ATOM 113 O VAL A 10 4.183 -3.346 1.147 1.00 0.00 O ATOM 114 CB VAL A 10 1.958 -5.838 1.821 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.266 -4.515 2.150 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.108 -6.679 0.866 1.00 0.00 C ATOM 0 H VAL A 10 3.740 -7.523 1.973 1.00 0.00 H new ATOM 0 HA VAL A 10 3.223 -5.423 0.174 1.00 0.00 H new ATOM 0 HB VAL A 10 2.071 -6.397 2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.276 -4.714 2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.858 -3.967 2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.170 -3.919 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.121 -6.836 1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.007 -6.158 -0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.590 -7.643 0.703 1.00 0.00 H new ATOM 126 N LEU A 11 4.439 -4.483 3.084 1.00 0.00 N ATOM 127 CA LEU A 11 5.104 -3.387 3.768 1.00 0.00 C ATOM 128 C LEU A 11 6.433 -3.087 3.073 1.00 0.00 C ATOM 129 O LEU A 11 6.763 -1.928 2.828 1.00 0.00 O ATOM 130 CB LEU A 11 5.246 -3.694 5.261 1.00 0.00 C ATOM 131 CG LEU A 11 4.810 -2.584 6.219 1.00 0.00 C ATOM 132 CD1 LEU A 11 5.303 -2.863 7.640 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.264 -1.213 5.713 1.00 0.00 C ATOM 0 H LEU A 11 4.316 -5.325 3.646 1.00 0.00 H new ATOM 0 HA LEU A 11 4.502 -2.480 3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.665 -4.588 5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.290 -3.933 5.465 1.00 0.00 H new ATOM 0 HG LEU A 11 3.721 -2.569 6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.980 -2.059 8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.889 -3.809 7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.392 -2.920 7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.941 -0.442 6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.351 -1.197 5.631 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.824 -1.022 4.734 1.00 0.00 H new ATOM 145 N ASP A 12 7.160 -4.153 2.773 1.00 0.00 N ATOM 146 CA ASP A 12 8.446 -4.020 2.110 1.00 0.00 C ATOM 147 C ASP A 12 8.254 -3.303 0.772 1.00 0.00 C ATOM 148 O ASP A 12 8.967 -2.349 0.466 1.00 0.00 O ATOM 149 CB ASP A 12 9.065 -5.390 1.827 1.00 0.00 C ATOM 150 CG ASP A 12 10.590 -5.447 1.945 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.191 -4.358 2.060 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.119 -6.580 1.918 1.00 0.00 O ATOM 0 H ASP A 12 6.883 -5.113 2.977 1.00 0.00 H new ATOM 0 HA ASP A 12 9.107 -3.455 2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.635 -6.116 2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.782 -5.699 0.821 1.00 0.00 H new ATOM 157 N ILE A 13 7.284 -3.790 0.011 1.00 0.00 N ATOM 158 CA ILE A 13 6.988 -3.208 -1.288 1.00 0.00 C ATOM 159 C ILE A 13 6.429 -1.797 -1.093 1.00 0.00 C ATOM 160 O ILE A 13 6.328 -1.029 -2.048 1.00 0.00 O ATOM 161 CB ILE A 13 6.067 -4.129 -2.090 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.878 -5.130 -2.915 1.00 0.00 C ATOM 163 CG2 ILE A 13 5.103 -3.319 -2.958 1.00 0.00 C ATOM 164 CD1 ILE A 13 6.169 -6.486 -2.981 1.00 0.00 C ATOM 0 H ILE A 13 6.693 -4.581 0.269 1.00 0.00 H new ATOM 0 HA ILE A 13 7.898 -3.112 -1.880 1.00 0.00 H new ATOM 0 HB ILE A 13 5.463 -4.704 -1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.024 -4.742 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.867 -5.254 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.460 -3.998 -3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.490 -2.680 -2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.671 -2.701 -3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.766 -7.180 -3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.046 -6.882 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.190 -6.363 -3.444 1.00 0.00 H new ATOM 176 N LEU A 14 6.083 -1.498 0.150 1.00 0.00 N ATOM 177 CA LEU A 14 5.538 -0.193 0.482 1.00 0.00 C ATOM 178 C LEU A 14 6.685 0.795 0.697 1.00 0.00 C ATOM 179 O LEU A 14 6.818 1.768 -0.044 1.00 0.00 O ATOM 180 CB LEU A 14 4.585 -0.298 1.675 1.00 0.00 C ATOM 181 CG LEU A 14 3.109 -0.017 1.381 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.926 1.374 0.771 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.508 -1.113 0.499 1.00 0.00 C ATOM 0 H LEU A 14 6.170 -2.137 0.940 1.00 0.00 H new ATOM 0 HA LEU A 14 4.938 0.190 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.667 -1.301 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.920 0.397 2.445 1.00 0.00 H new ATOM 0 HG LEU A 14 2.565 -0.028 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.869 1.548 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.293 2.128 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.486 1.439 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.459 -0.890 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.050 -1.158 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.586 -2.074 1.008 1.00 0.00 H new ATOM 195 N ALA A 15 7.486 0.512 1.714 1.00 0.00 N ATOM 196 CA ALA A 15 8.618 1.363 2.035 1.00 0.00 C ATOM 197 C ALA A 15 9.501 1.519 0.797 1.00 0.00 C ATOM 198 O ALA A 15 10.173 2.536 0.633 1.00 0.00 O ATOM 199 CB ALA A 15 9.379 0.773 3.224 1.00 0.00 C ATOM 0 H ALA A 15 7.373 -0.296 2.327 1.00 0.00 H new ATOM 0 HA ALA A 15 8.280 2.358 2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.229 1.412 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.715 0.711 4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.736 -0.225 2.969 1.00 0.00 H new ATOM 205 N ASP A 16 9.473 0.496 -0.044 1.00 0.00 N ATOM 206 CA ASP A 16 10.262 0.507 -1.264 1.00 0.00 C ATOM 207 C ASP A 16 9.645 1.493 -2.258 1.00 0.00 C ATOM 208 O ASP A 16 10.362 2.218 -2.944 1.00 0.00 O ATOM 209 CB ASP A 16 10.282 -0.875 -1.920 1.00 0.00 C ATOM 210 CG ASP A 16 11.470 -1.134 -2.848 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.605 -0.850 -2.409 1.00 0.00 O ATOM 212 OD2 ASP A 16 11.216 -1.611 -3.976 1.00 0.00 O ATOM 0 H ASP A 16 8.916 -0.347 0.096 1.00 0.00 H new ATOM 0 HA ASP A 16 11.280 0.798 -1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.281 -1.632 -1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.361 -1.004 -2.489 1.00 0.00 H new ATOM 217 N LEU A 17 8.321 1.487 -2.304 1.00 0.00 N ATOM 218 CA LEU A 17 7.599 2.373 -3.202 1.00 0.00 C ATOM 219 C LEU A 17 7.915 3.825 -2.842 1.00 0.00 C ATOM 220 O LEU A 17 8.376 4.592 -3.686 1.00 0.00 O ATOM 221 CB LEU A 17 6.104 2.046 -3.187 1.00 0.00 C ATOM 222 CG LEU A 17 5.402 2.062 -4.547 1.00 0.00 C ATOM 223 CD1 LEU A 17 3.994 1.472 -4.445 1.00 0.00 C ATOM 224 CD2 LEU A 17 5.389 3.473 -5.140 1.00 0.00 C ATOM 0 H LEU A 17 7.729 0.883 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 17 7.925 2.222 -4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.972 1.059 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.602 2.759 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 17 5.968 1.429 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.518 1.496 -5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.056 0.441 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.404 2.058 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.885 3.457 -6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.860 4.146 -4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.413 3.822 -5.271 1.00 0.00 H new ATOM 236 N THR A 18 7.654 4.161 -1.586 1.00 0.00 N ATOM 237 CA THR A 18 7.905 5.508 -1.105 1.00 0.00 C ATOM 238 C THR A 18 9.387 5.861 -1.254 1.00 0.00 C ATOM 239 O THR A 18 9.737 7.030 -1.405 1.00 0.00 O ATOM 240 CB THR A 18 7.402 5.597 0.337 1.00 0.00 C ATOM 241 OG1 THR A 18 8.178 4.625 1.035 1.00 0.00 O ATOM 242 CG2 THR A 18 5.962 5.100 0.486 1.00 0.00 C ATOM 0 H THR A 18 7.271 3.523 -0.888 1.00 0.00 H new ATOM 0 HA THR A 18 7.366 6.246 -1.699 1.00 0.00 H new ATOM 0 HB THR A 18 7.468 6.629 0.682 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.918 4.616 1.980 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.654 5.185 1.528 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.302 5.704 -0.137 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.903 4.057 0.174 1.00 0.00 H new ATOM 250 N GLY A 19 10.216 4.829 -1.206 1.00 0.00 N ATOM 251 CA GLY A 19 11.651 5.015 -1.335 1.00 0.00 C ATOM 252 C GLY A 19 12.250 5.565 -0.039 1.00 0.00 C ATOM 253 O GLY A 19 13.380 6.050 -0.030 1.00 0.00 O ATOM 0 H GLY A 19 9.921 3.861 -1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.124 4.065 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.860 5.700 -2.156 1.00 0.00 H new ATOM 257 N SER A 20 11.465 5.471 1.025 1.00 0.00 N ATOM 258 CA SER A 20 11.904 5.954 2.323 1.00 0.00 C ATOM 259 C SER A 20 11.630 4.897 3.395 1.00 0.00 C ATOM 260 O SER A 20 10.999 3.878 3.119 1.00 0.00 O ATOM 261 CB SER A 20 11.211 7.269 2.685 1.00 0.00 C ATOM 262 OG SER A 20 11.499 8.301 1.745 1.00 0.00 O ATOM 0 H SER A 20 10.528 5.068 1.014 1.00 0.00 H new ATOM 0 HA SER A 20 12.977 6.142 2.273 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.134 7.110 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.529 7.585 3.679 1.00 0.00 H new ATOM 0 HG SER A 20 11.172 9.158 2.090 1.00 0.00 H new ATOM 268 N ASP A 21 12.117 5.176 4.595 1.00 0.00 N ATOM 269 CA ASP A 21 11.931 4.262 5.709 1.00 0.00 C ATOM 270 C ASP A 21 11.067 4.935 6.777 1.00 0.00 C ATOM 271 O ASP A 21 11.581 5.406 7.791 1.00 0.00 O ATOM 272 CB ASP A 21 13.271 3.894 6.348 1.00 0.00 C ATOM 273 CG ASP A 21 13.339 2.487 6.945 1.00 0.00 C ATOM 274 OD1 ASP A 21 13.121 1.531 6.169 1.00 0.00 O ATOM 275 OD2 ASP A 21 13.607 2.399 8.162 1.00 0.00 O ATOM 0 H ASP A 21 12.640 6.022 4.820 1.00 0.00 H new ATOM 0 HA ASP A 21 11.452 3.360 5.329 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.054 3.991 5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.492 4.617 7.134 1.00 0.00 H new ATOM 280 N ASP A 22 9.768 4.959 6.513 1.00 0.00 N ATOM 281 CA ASP A 22 8.828 5.567 7.439 1.00 0.00 C ATOM 282 C ASP A 22 7.639 4.626 7.642 1.00 0.00 C ATOM 283 O ASP A 22 7.178 4.438 8.767 1.00 0.00 O ATOM 284 CB ASP A 22 8.293 6.892 6.891 1.00 0.00 C ATOM 285 CG ASP A 22 8.298 8.052 7.888 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.822 7.829 9.022 1.00 0.00 O ATOM 287 OD2 ASP A 22 8.776 9.138 7.493 1.00 0.00 O ATOM 0 H ASP A 22 9.345 4.567 5.671 1.00 0.00 H new ATOM 0 HA ASP A 22 9.350 5.750 8.378 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.888 7.176 6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.272 6.738 6.541 1.00 0.00 H new ATOM 292 N VAL A 23 7.178 4.059 6.538 1.00 0.00 N ATOM 293 CA VAL A 23 6.052 3.142 6.581 1.00 0.00 C ATOM 294 C VAL A 23 6.512 1.802 7.158 1.00 0.00 C ATOM 295 O VAL A 23 5.728 1.086 7.777 1.00 0.00 O ATOM 296 CB VAL A 23 5.429 3.012 5.189 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.462 2.525 4.170 1.00 0.00 C ATOM 298 CG2 VAL A 23 4.210 2.088 5.218 1.00 0.00 C ATOM 0 H VAL A 23 7.564 4.217 5.607 1.00 0.00 H new ATOM 0 HA VAL A 23 5.271 3.527 7.237 1.00 0.00 H new ATOM 0 HB VAL A 23 5.092 4.001 4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.994 2.441 3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.286 3.236 4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.842 1.550 4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.786 2.013 4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.512 1.098 5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.462 2.494 5.899 1.00 0.00 H new ATOM 308 N LYS A 24 7.783 1.503 6.933 1.00 0.00 N ATOM 309 CA LYS A 24 8.358 0.262 7.422 1.00 0.00 C ATOM 310 C LYS A 24 8.075 0.129 8.920 1.00 0.00 C ATOM 311 O LYS A 24 8.097 -0.973 9.465 1.00 0.00 O ATOM 312 CB LYS A 24 9.845 0.183 7.069 1.00 0.00 C ATOM 313 CG LYS A 24 10.431 -1.174 7.461 1.00 0.00 C ATOM 314 CD LYS A 24 11.928 -1.061 7.753 1.00 0.00 C ATOM 315 CE LYS A 24 12.757 -1.492 6.542 1.00 0.00 C ATOM 316 NZ LYS A 24 12.472 -2.901 6.192 1.00 0.00 N ATOM 0 H LYS A 24 8.431 2.099 6.418 1.00 0.00 H new ATOM 0 HA LYS A 24 7.892 -0.592 6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.977 0.345 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.387 0.978 7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.913 -1.557 8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.267 -1.891 6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.174 -0.033 8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.182 -1.682 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.532 -0.848 5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.818 -1.373 6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.312 -3.326 5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.228 -3.430 7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.674 -2.939 5.526 1.00 0.00 H new ATOM 330 N LYS A 25 7.815 1.269 9.544 1.00 0.00 N ATOM 331 CA LYS A 25 7.529 1.296 10.968 1.00 0.00 C ATOM 332 C LYS A 25 6.075 1.723 11.183 1.00 0.00 C ATOM 333 O LYS A 25 5.220 0.895 11.493 1.00 0.00 O ATOM 334 CB LYS A 25 8.543 2.173 11.703 1.00 0.00 C ATOM 335 CG LYS A 25 8.342 2.092 13.218 1.00 0.00 C ATOM 336 CD LYS A 25 7.322 3.129 13.692 1.00 0.00 C ATOM 337 CE LYS A 25 7.438 3.362 15.200 1.00 0.00 C ATOM 338 NZ LYS A 25 6.164 3.883 15.743 1.00 0.00 N ATOM 0 H LYS A 25 7.797 2.181 9.088 1.00 0.00 H new ATOM 0 HA LYS A 25 7.636 0.300 11.397 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.555 1.856 11.449 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.441 3.207 11.374 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.003 1.092 13.491 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.294 2.255 13.724 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.480 4.068 13.162 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.315 2.791 13.449 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.698 2.429 15.699 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.243 4.068 15.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.260 4.036 16.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.932 4.784 15.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.404 3.196 15.565 1.00 0.00 H new ATOM 352 N ASN A 26 5.841 3.016 11.011 1.00 0.00 N ATOM 353 CA ASN A 26 4.506 3.564 11.182 1.00 0.00 C ATOM 354 C ASN A 26 3.509 2.732 10.371 1.00 0.00 C ATOM 355 O ASN A 26 3.806 2.323 9.249 1.00 0.00 O ATOM 356 CB ASN A 26 4.434 5.007 10.681 1.00 0.00 C ATOM 357 CG ASN A 26 4.408 5.993 11.851 1.00 0.00 C ATOM 358 OD1 ASN A 26 5.431 6.457 12.329 1.00 0.00 O ATOM 359 ND2 ASN A 26 3.185 6.287 12.284 1.00 0.00 N ATOM 0 H ASN A 26 6.553 3.700 10.755 1.00 0.00 H new ATOM 0 HA ASN A 26 4.266 3.539 12.245 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.292 5.217 10.043 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.542 5.139 10.069 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.061 6.936 13.061 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.371 5.863 11.839 1.00 0.00 H new ATOM 366 N LEU A 27 2.350 2.507 10.970 1.00 0.00 N ATOM 367 CA LEU A 27 1.309 1.732 10.318 1.00 0.00 C ATOM 368 C LEU A 27 0.105 2.634 10.039 1.00 0.00 C ATOM 369 O LEU A 27 -1.033 2.168 10.020 1.00 0.00 O ATOM 370 CB LEU A 27 0.968 0.489 11.144 1.00 0.00 C ATOM 371 CG LEU A 27 2.009 -0.631 11.131 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.879 -1.516 12.373 1.00 0.00 C ATOM 373 CD2 LEU A 27 1.925 -1.444 9.838 1.00 0.00 C ATOM 0 H LEU A 27 2.108 2.848 11.900 1.00 0.00 H new ATOM 0 HA LEU A 27 1.659 1.360 9.355 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.807 0.797 12.177 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.023 0.084 10.781 1.00 0.00 H new ATOM 0 HG LEU A 27 2.999 -0.176 11.162 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.631 -2.304 12.338 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.028 -0.911 13.268 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.885 -1.963 12.399 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.676 -2.234 9.855 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.933 -1.888 9.751 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.105 -0.790 8.985 1.00 0.00 H new ATOM 385 N ASP A 28 0.397 3.909 9.832 1.00 0.00 N ATOM 386 CA ASP A 28 -0.646 4.881 9.556 1.00 0.00 C ATOM 387 C ASP A 28 -0.014 6.158 8.998 1.00 0.00 C ATOM 388 O ASP A 28 -0.536 7.254 9.201 1.00 0.00 O ATOM 389 CB ASP A 28 -1.408 5.249 10.831 1.00 0.00 C ATOM 390 CG ASP A 28 -2.914 4.979 10.785 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.273 3.794 10.618 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.671 5.965 10.918 1.00 0.00 O ATOM 0 H ASP A 28 1.342 4.292 9.850 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.337 4.439 8.838 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.980 4.694 11.665 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.250 6.307 11.038 1.00 0.00 H new ATOM 397 N LEU A 29 1.101 5.974 8.306 1.00 0.00 N ATOM 398 CA LEU A 29 1.810 7.098 7.718 1.00 0.00 C ATOM 399 C LEU A 29 1.210 7.412 6.346 1.00 0.00 C ATOM 400 O LEU A 29 1.520 6.743 5.361 1.00 0.00 O ATOM 401 CB LEU A 29 3.315 6.823 7.683 1.00 0.00 C ATOM 402 CG LEU A 29 4.187 7.937 7.101 1.00 0.00 C ATOM 403 CD1 LEU A 29 5.072 8.562 8.181 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.006 7.428 5.913 1.00 0.00 C ATOM 0 H LEU A 29 1.531 5.064 8.139 1.00 0.00 H new ATOM 0 HA LEU A 29 1.687 7.990 8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.651 6.620 8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.485 5.915 7.104 1.00 0.00 H new ATOM 0 HG LEU A 29 3.531 8.724 6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.682 9.351 7.740 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.445 8.984 8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.721 7.797 8.607 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.617 8.240 5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.652 6.613 6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.333 7.068 5.135 1.00 0.00 H new ATOM 416 N ASN A 30 0.363 8.429 6.324 1.00 0.00 N ATOM 417 CA ASN A 30 -0.283 8.841 5.090 1.00 0.00 C ATOM 418 C ASN A 30 0.711 8.716 3.933 1.00 0.00 C ATOM 419 O ASN A 30 1.778 9.329 3.959 1.00 0.00 O ATOM 420 CB ASN A 30 -0.741 10.298 5.166 1.00 0.00 C ATOM 421 CG ASN A 30 -1.438 10.586 6.497 1.00 0.00 C ATOM 422 OD1 ASN A 30 -1.185 11.579 7.158 1.00 0.00 O ATOM 423 ND2 ASN A 30 -2.327 9.662 6.852 1.00 0.00 N ATOM 0 H ASN A 30 0.108 8.981 7.143 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.150 8.200 4.934 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.118 10.959 5.051 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.421 10.512 4.342 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.845 9.762 7.725 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.490 8.854 6.251 1.00 0.00 H new ATOM 430 N LEU A 31 0.328 7.920 2.947 1.00 0.00 N ATOM 431 CA LEU A 31 1.172 7.708 1.784 1.00 0.00 C ATOM 432 C LEU A 31 0.912 8.815 0.762 1.00 0.00 C ATOM 433 O LEU A 31 1.574 8.877 -0.273 1.00 0.00 O ATOM 434 CB LEU A 31 0.972 6.296 1.227 1.00 0.00 C ATOM 435 CG LEU A 31 1.331 5.146 2.169 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.347 3.985 2.015 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.781 4.702 1.964 1.00 0.00 C ATOM 0 H LEU A 31 -0.557 7.413 2.929 1.00 0.00 H new ATOM 0 HA LEU A 31 2.225 7.770 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.072 6.187 0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.569 6.197 0.321 1.00 0.00 H new ATOM 0 HG LEU A 31 1.247 5.504 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.624 3.180 2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.660 4.328 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.375 3.618 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.011 3.883 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.917 4.367 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.450 5.539 2.164 1.00 0.00 H new ATOM 449 N PHE A 32 -0.054 9.662 1.087 1.00 0.00 N ATOM 450 CA PHE A 32 -0.410 10.764 0.209 1.00 0.00 C ATOM 451 C PHE A 32 -0.153 12.111 0.889 1.00 0.00 C ATOM 452 O PHE A 32 0.432 13.012 0.290 1.00 0.00 O ATOM 453 CB PHE A 32 -1.904 10.633 -0.090 1.00 0.00 C ATOM 454 CG PHE A 32 -2.225 9.703 -1.261 1.00 0.00 C ATOM 455 CD1 PHE A 32 -1.927 8.378 -1.178 1.00 0.00 C ATOM 456 CD2 PHE A 32 -2.809 10.199 -2.383 1.00 0.00 C ATOM 457 CE1 PHE A 32 -2.225 7.515 -2.265 1.00 0.00 C ATOM 458 CE2 PHE A 32 -3.106 9.335 -3.471 1.00 0.00 C ATOM 459 CZ PHE A 32 -2.808 8.011 -3.388 1.00 0.00 C ATOM 0 H PHE A 32 -0.601 9.607 1.946 1.00 0.00 H new ATOM 0 HA PHE A 32 0.191 10.726 -0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.412 10.266 0.802 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.309 11.622 -0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.464 7.983 -0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.048 11.250 -2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.988 6.463 -2.200 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.568 9.730 -4.364 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.035 7.354 -4.214 1.00 0.00 H new ATOM 469 N GLU A 33 -0.605 12.205 2.132 1.00 0.00 N ATOM 470 CA GLU A 33 -0.432 13.428 2.900 1.00 0.00 C ATOM 471 C GLU A 33 1.043 13.628 3.253 1.00 0.00 C ATOM 472 O GLU A 33 1.444 14.716 3.662 1.00 0.00 O ATOM 473 CB GLU A 33 -1.300 13.410 4.159 1.00 0.00 C ATOM 474 CG GLU A 33 -2.185 14.657 4.233 1.00 0.00 C ATOM 475 CD GLU A 33 -1.793 15.538 5.420 1.00 0.00 C ATOM 476 OE1 GLU A 33 -2.016 15.084 6.563 1.00 0.00 O ATOM 477 OE2 GLU A 33 -1.279 16.648 5.159 1.00 0.00 O ATOM 0 H GLU A 33 -1.090 11.456 2.626 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.756 14.269 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.924 12.516 4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.664 13.358 5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.095 15.226 3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.230 14.361 4.325 1.00 0.00 H new ATOM 484 N THR A 34 1.810 12.562 3.082 1.00 0.00 N ATOM 485 CA THR A 34 3.232 12.607 3.377 1.00 0.00 C ATOM 486 C THR A 34 4.028 12.947 2.116 1.00 0.00 C ATOM 487 O THR A 34 5.200 13.310 2.197 1.00 0.00 O ATOM 488 CB THR A 34 3.627 11.268 4.003 1.00 0.00 C ATOM 489 OG1 THR A 34 2.789 11.160 5.150 1.00 0.00 O ATOM 490 CG2 THR A 34 5.045 11.286 4.578 1.00 0.00 C ATOM 0 H THR A 34 1.473 11.661 2.743 1.00 0.00 H new ATOM 0 HA THR A 34 3.463 13.397 4.091 1.00 0.00 H new ATOM 0 HB THR A 34 3.549 10.480 3.254 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.387 10.267 5.179 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.275 10.312 5.010 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.757 11.508 3.783 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.114 12.051 5.351 1.00 0.00 H new ATOM 498 N GLY A 35 3.359 12.818 0.980 1.00 0.00 N ATOM 499 CA GLY A 35 3.989 13.107 -0.297 1.00 0.00 C ATOM 500 C GLY A 35 4.762 11.892 -0.814 1.00 0.00 C ATOM 501 O GLY A 35 5.218 11.883 -1.957 1.00 0.00 O ATOM 0 H GLY A 35 2.386 12.517 0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.230 13.396 -1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.666 13.954 -0.189 1.00 0.00 H new ATOM 505 N LEU A 36 4.884 10.895 0.050 1.00 0.00 N ATOM 506 CA LEU A 36 5.592 9.678 -0.305 1.00 0.00 C ATOM 507 C LEU A 36 4.987 9.096 -1.584 1.00 0.00 C ATOM 508 O LEU A 36 5.712 8.650 -2.472 1.00 0.00 O ATOM 509 CB LEU A 36 5.601 8.700 0.872 1.00 0.00 C ATOM 510 CG LEU A 36 6.756 8.854 1.863 1.00 0.00 C ATOM 511 CD1 LEU A 36 6.768 7.706 2.874 1.00 0.00 C ATOM 512 CD2 LEU A 36 8.094 8.988 1.131 1.00 0.00 C ATOM 0 H LEU A 36 4.504 10.906 0.996 1.00 0.00 H new ATOM 0 HA LEU A 36 6.639 9.894 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.664 8.810 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.622 7.685 0.475 1.00 0.00 H new ATOM 0 HG LEU A 36 6.603 9.776 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.599 7.840 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.830 7.700 3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.884 6.759 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.898 9.096 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.269 8.098 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.069 9.866 0.485 1.00 0.00 H new ATOM 524 N LEU A 37 3.663 9.118 -1.638 1.00 0.00 N ATOM 525 CA LEU A 37 2.952 8.598 -2.793 1.00 0.00 C ATOM 526 C LEU A 37 2.133 9.722 -3.431 1.00 0.00 C ATOM 527 O LEU A 37 2.005 10.803 -2.859 1.00 0.00 O ATOM 528 CB LEU A 37 2.120 7.376 -2.404 1.00 0.00 C ATOM 529 CG LEU A 37 1.979 6.292 -3.475 1.00 0.00 C ATOM 530 CD1 LEU A 37 2.584 4.969 -2.999 1.00 0.00 C ATOM 531 CD2 LEU A 37 0.519 6.131 -3.904 1.00 0.00 C ATOM 0 H LEU A 37 3.064 9.488 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 37 3.656 8.248 -3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.565 6.926 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.122 7.714 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 37 2.541 6.606 -4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.471 4.216 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.643 5.110 -2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.070 4.638 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.447 5.355 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.085 5.850 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.153 7.074 -4.311 1.00 0.00 H new ATOM 543 N ASP A 38 1.600 9.428 -4.608 1.00 0.00 N ATOM 544 CA ASP A 38 0.796 10.400 -5.330 1.00 0.00 C ATOM 545 C ASP A 38 -0.358 9.682 -6.032 1.00 0.00 C ATOM 546 O ASP A 38 -1.513 10.085 -5.905 1.00 0.00 O ATOM 547 CB ASP A 38 1.626 11.116 -6.397 1.00 0.00 C ATOM 548 CG ASP A 38 1.857 12.608 -6.144 1.00 0.00 C ATOM 549 OD1 ASP A 38 2.854 12.919 -5.457 1.00 0.00 O ATOM 550 OD2 ASP A 38 1.031 13.402 -6.643 1.00 0.00 O ATOM 0 H ASP A 38 1.709 8.530 -5.080 1.00 0.00 H new ATOM 0 HA ASP A 38 0.424 11.130 -4.611 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.594 10.622 -6.475 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.130 10.999 -7.361 1.00 0.00 H new ATOM 555 N SER A 39 -0.005 8.630 -6.755 1.00 0.00 N ATOM 556 CA SER A 39 -0.997 7.851 -7.477 1.00 0.00 C ATOM 557 C SER A 39 -0.306 6.800 -8.347 1.00 0.00 C ATOM 558 O SER A 39 -0.681 5.630 -8.330 1.00 0.00 O ATOM 559 CB SER A 39 -1.885 8.752 -8.338 1.00 0.00 C ATOM 560 OG SER A 39 -2.629 8.009 -9.298 1.00 0.00 O ATOM 0 H SER A 39 0.954 8.298 -6.857 1.00 0.00 H new ATOM 0 HA SER A 39 -1.633 7.349 -6.748 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.571 9.304 -7.696 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.266 9.488 -8.850 1.00 0.00 H new ATOM 0 HG SER A 39 -3.184 8.620 -9.826 1.00 0.00 H new ATOM 566 N MET A 40 0.694 7.257 -9.089 1.00 0.00 N ATOM 567 CA MET A 40 1.441 6.370 -9.965 1.00 0.00 C ATOM 568 C MET A 40 2.040 5.201 -9.180 1.00 0.00 C ATOM 569 O MET A 40 2.217 4.111 -9.722 1.00 0.00 O ATOM 570 CB MET A 40 2.563 7.155 -10.648 1.00 0.00 C ATOM 571 CG MET A 40 3.049 6.432 -11.906 1.00 0.00 C ATOM 572 SD MET A 40 3.657 7.617 -13.095 1.00 0.00 S ATOM 573 CE MET A 40 2.113 8.180 -13.790 1.00 0.00 C ATOM 0 H MET A 40 1.003 8.229 -9.101 1.00 0.00 H new ATOM 0 HA MET A 40 0.758 5.968 -10.714 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.207 8.151 -10.911 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.394 7.286 -9.955 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.838 5.726 -11.648 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.234 5.854 -12.341 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.076 7.924 -14.849 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.284 7.699 -13.271 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.035 9.261 -13.675 1.00 0.00 H new ATOM 583 N GLY A 41 2.336 5.469 -7.917 1.00 0.00 N ATOM 584 CA GLY A 41 2.912 4.452 -7.052 1.00 0.00 C ATOM 585 C GLY A 41 1.991 3.235 -6.948 1.00 0.00 C ATOM 586 O GLY A 41 2.404 2.115 -7.242 1.00 0.00 O ATOM 0 H GLY A 41 2.188 6.375 -7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.883 4.146 -7.441 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.084 4.868 -6.059 1.00 0.00 H new ATOM 590 N THR A 42 0.762 3.496 -6.529 1.00 0.00 N ATOM 591 CA THR A 42 -0.220 2.436 -6.383 1.00 0.00 C ATOM 592 C THR A 42 -0.218 1.532 -7.618 1.00 0.00 C ATOM 593 O THR A 42 -0.243 0.309 -7.497 1.00 0.00 O ATOM 594 CB THR A 42 -1.578 3.084 -6.107 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.819 2.812 -4.730 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.724 2.375 -6.832 1.00 0.00 C ATOM 0 H THR A 42 0.424 4.427 -6.286 1.00 0.00 H new ATOM 0 HA THR A 42 0.023 1.786 -5.543 1.00 0.00 H new ATOM 0 HB THR A 42 -1.548 4.130 -6.411 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.680 3.199 -4.466 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.665 2.875 -6.602 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.550 2.407 -7.907 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.775 1.337 -6.504 1.00 0.00 H new ATOM 604 N VAL A 43 -0.187 2.172 -8.779 1.00 0.00 N ATOM 605 CA VAL A 43 -0.180 1.441 -10.035 1.00 0.00 C ATOM 606 C VAL A 43 0.882 0.342 -9.976 1.00 0.00 C ATOM 607 O VAL A 43 0.604 -0.814 -10.289 1.00 0.00 O ATOM 608 CB VAL A 43 0.025 2.409 -11.201 1.00 0.00 C ATOM 609 CG1 VAL A 43 0.025 1.664 -12.539 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.034 3.514 -11.190 1.00 0.00 C ATOM 0 H VAL A 43 -0.166 3.187 -8.876 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.141 0.954 -10.199 1.00 0.00 H new ATOM 0 HB VAL A 43 1.001 2.879 -11.078 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.173 2.375 -13.352 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.832 0.931 -12.547 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.929 1.154 -12.672 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.865 4.188 -12.029 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.025 3.069 -11.276 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.967 4.073 -10.257 1.00 0.00 H new ATOM 620 N GLN A 44 2.080 0.742 -9.571 1.00 0.00 N ATOM 621 CA GLN A 44 3.185 -0.194 -9.467 1.00 0.00 C ATOM 622 C GLN A 44 2.905 -1.228 -8.375 1.00 0.00 C ATOM 623 O GLN A 44 2.894 -2.429 -8.640 1.00 0.00 O ATOM 624 CB GLN A 44 4.502 0.539 -9.203 1.00 0.00 C ATOM 625 CG GLN A 44 5.692 -0.418 -9.298 1.00 0.00 C ATOM 626 CD GLN A 44 6.935 0.303 -9.824 1.00 0.00 C ATOM 627 OE1 GLN A 44 7.154 1.477 -9.576 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.733 -0.463 -10.561 1.00 0.00 N ATOM 0 H GLN A 44 2.308 1.702 -9.311 1.00 0.00 H new ATOM 0 HA GLN A 44 3.282 -0.717 -10.418 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.623 1.348 -9.924 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.476 0.995 -8.213 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.901 -0.842 -8.316 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.443 -1.249 -9.958 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.490 -1.439 -10.730 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.589 -0.075 -10.958 1.00 0.00 H new ATOM 637 N LEU A 45 2.685 -0.724 -7.169 1.00 0.00 N ATOM 638 CA LEU A 45 2.405 -1.588 -6.036 1.00 0.00 C ATOM 639 C LEU A 45 1.390 -2.656 -6.452 1.00 0.00 C ATOM 640 O LEU A 45 1.528 -3.823 -6.090 1.00 0.00 O ATOM 641 CB LEU A 45 1.965 -0.761 -4.826 1.00 0.00 C ATOM 642 CG LEU A 45 0.656 -1.189 -4.162 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.852 -2.461 -3.334 1.00 0.00 C ATOM 644 CD2 LEU A 45 0.065 -0.050 -3.329 1.00 0.00 C ATOM 0 H LEU A 45 2.695 0.273 -6.953 1.00 0.00 H new ATOM 0 HA LEU A 45 3.309 -2.111 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.757 -0.797 -4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.868 0.279 -5.138 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.064 -1.422 -4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.094 -2.744 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.195 -3.268 -3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.595 -2.279 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.865 -0.381 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.773 0.238 -2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.134 0.806 -3.973 1.00 0.00 H new ATOM 656 N LEU A 46 0.394 -2.217 -7.209 1.00 0.00 N ATOM 657 CA LEU A 46 -0.642 -3.120 -7.679 1.00 0.00 C ATOM 658 C LEU A 46 -0.004 -4.231 -8.514 1.00 0.00 C ATOM 659 O LEU A 46 -0.358 -5.401 -8.371 1.00 0.00 O ATOM 660 CB LEU A 46 -1.734 -2.344 -8.419 1.00 0.00 C ATOM 661 CG LEU A 46 -3.099 -2.286 -7.729 1.00 0.00 C ATOM 662 CD1 LEU A 46 -3.993 -1.225 -8.374 1.00 0.00 C ATOM 663 CD2 LEU A 46 -3.764 -3.663 -7.714 1.00 0.00 C ATOM 0 H LEU A 46 0.283 -1.248 -7.508 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.140 -3.600 -6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.384 -1.324 -8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.866 -2.791 -9.404 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.946 -1.991 -6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.957 -1.204 -7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.517 -0.248 -8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.143 -1.466 -9.426 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.732 -3.594 -7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.904 -4.010 -8.738 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.130 -4.367 -7.176 1.00 0.00 H new ATOM 675 N LEU A 47 0.924 -3.827 -9.368 1.00 0.00 N ATOM 676 CA LEU A 47 1.615 -4.775 -10.227 1.00 0.00 C ATOM 677 C LEU A 47 2.177 -5.913 -9.374 1.00 0.00 C ATOM 678 O LEU A 47 2.084 -7.081 -9.751 1.00 0.00 O ATOM 679 CB LEU A 47 2.671 -4.060 -11.073 1.00 0.00 C ATOM 680 CG LEU A 47 2.790 -4.521 -12.527 1.00 0.00 C ATOM 681 CD1 LEU A 47 3.113 -6.013 -12.605 1.00 0.00 C ATOM 682 CD2 LEU A 47 1.530 -4.164 -13.318 1.00 0.00 C ATOM 0 H LEU A 47 1.214 -2.856 -9.484 1.00 0.00 H new ATOM 0 HA LEU A 47 0.920 -5.222 -10.938 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.450 -2.993 -11.068 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.641 -4.187 -10.592 1.00 0.00 H new ATOM 0 HG LEU A 47 3.622 -3.989 -12.988 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.192 -6.314 -13.650 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.059 -6.208 -12.099 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.319 -6.583 -12.122 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.639 -4.502 -14.348 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.666 -4.651 -12.866 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.386 -3.084 -13.304 1.00 0.00 H new ATOM 694 N GLU A 48 2.748 -5.535 -8.240 1.00 0.00 N ATOM 695 CA GLU A 48 3.326 -6.510 -7.330 1.00 0.00 C ATOM 696 C GLU A 48 2.235 -7.127 -6.453 1.00 0.00 C ATOM 697 O GLU A 48 2.415 -8.214 -5.906 1.00 0.00 O ATOM 698 CB GLU A 48 4.425 -5.878 -6.474 1.00 0.00 C ATOM 699 CG GLU A 48 5.806 -6.390 -6.890 1.00 0.00 C ATOM 700 CD GLU A 48 5.963 -7.875 -6.555 1.00 0.00 C ATOM 701 OE1 GLU A 48 5.425 -8.279 -5.501 1.00 0.00 O ATOM 702 OE2 GLU A 48 6.617 -8.572 -7.360 1.00 0.00 O ATOM 0 H GLU A 48 2.823 -4.566 -7.930 1.00 0.00 H new ATOM 0 HA GLU A 48 3.783 -7.303 -7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.390 -4.793 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.249 -6.107 -5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.947 -6.238 -7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.580 -5.815 -6.381 1.00 0.00 H new ATOM 709 N LEU A 49 1.128 -6.407 -6.344 1.00 0.00 N ATOM 710 CA LEU A 49 0.009 -6.870 -5.543 1.00 0.00 C ATOM 711 C LEU A 49 -0.860 -7.810 -6.382 1.00 0.00 C ATOM 712 O LEU A 49 -1.771 -8.451 -5.860 1.00 0.00 O ATOM 713 CB LEU A 49 -0.758 -5.684 -4.956 1.00 0.00 C ATOM 714 CG LEU A 49 -1.197 -5.824 -3.497 1.00 0.00 C ATOM 715 CD1 LEU A 49 0.014 -5.986 -2.574 1.00 0.00 C ATOM 716 CD2 LEU A 49 -2.085 -4.651 -3.076 1.00 0.00 C ATOM 0 H LEU A 49 0.983 -5.505 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 49 0.366 -7.444 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.134 -4.795 -5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.645 -5.512 -5.566 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.796 -6.730 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.325 -6.084 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.572 -6.878 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.659 -5.112 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.383 -4.775 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.532 -3.718 -3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.974 -4.623 -3.707 1.00 0.00 H new ATOM 728 N GLN A 50 -0.548 -7.861 -7.668 1.00 0.00 N ATOM 729 CA GLN A 50 -1.288 -8.712 -8.585 1.00 0.00 C ATOM 730 C GLN A 50 -0.407 -9.864 -9.070 1.00 0.00 C ATOM 731 O GLN A 50 -0.760 -10.564 -10.017 1.00 0.00 O ATOM 732 CB GLN A 50 -1.832 -7.903 -9.764 1.00 0.00 C ATOM 733 CG GLN A 50 -2.812 -8.735 -10.595 1.00 0.00 C ATOM 734 CD GLN A 50 -3.644 -7.843 -11.517 1.00 0.00 C ATOM 735 OE1 GLN A 50 -3.275 -7.557 -12.645 1.00 0.00 O ATOM 736 NE2 GLN A 50 -4.783 -7.420 -10.978 1.00 0.00 N ATOM 0 H GLN A 50 0.207 -7.327 -8.097 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.140 -9.133 -8.051 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.332 -7.007 -9.395 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.006 -7.571 -10.394 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.262 -9.465 -11.189 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.472 -9.295 -9.932 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.032 -7.697 -10.028 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.408 -6.819 -11.514 1.00 0.00 H new ATOM 745 N SER A 51 0.724 -10.025 -8.398 1.00 0.00 N ATOM 746 CA SER A 51 1.659 -11.081 -8.750 1.00 0.00 C ATOM 747 C SER A 51 1.852 -12.026 -7.562 1.00 0.00 C ATOM 748 O SER A 51 1.598 -13.224 -7.671 1.00 0.00 O ATOM 749 CB SER A 51 3.005 -10.500 -9.189 1.00 0.00 C ATOM 750 OG SER A 51 2.997 -10.113 -10.561 1.00 0.00 O ATOM 0 H SER A 51 1.014 -9.443 -7.612 1.00 0.00 H new ATOM 0 HA SER A 51 1.244 -11.641 -9.588 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.246 -9.636 -8.570 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.790 -11.239 -9.025 1.00 0.00 H new ATOM 0 HG SER A 51 2.720 -9.176 -10.635 1.00 0.00 H new ATOM 756 N GLN A 52 2.297 -11.450 -6.454 1.00 0.00 N ATOM 757 CA GLN A 52 2.526 -12.227 -5.248 1.00 0.00 C ATOM 758 C GLN A 52 1.216 -12.415 -4.482 1.00 0.00 C ATOM 759 O GLN A 52 1.066 -13.375 -3.727 1.00 0.00 O ATOM 760 CB GLN A 52 3.588 -11.568 -4.365 1.00 0.00 C ATOM 761 CG GLN A 52 4.923 -11.457 -5.104 1.00 0.00 C ATOM 762 CD GLN A 52 5.845 -12.624 -4.745 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.658 -13.751 -5.173 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.849 -12.293 -3.938 1.00 0.00 N ATOM 0 H GLN A 52 2.505 -10.455 -6.367 1.00 0.00 H new ATOM 0 HA GLN A 52 2.900 -13.209 -5.537 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.251 -10.576 -4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.720 -12.150 -3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.748 -11.445 -6.180 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.407 -10.514 -4.849 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.948 -11.330 -3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.520 -13.002 -3.641 1.00 0.00 H new ATOM 773 N PHE A 53 0.299 -11.483 -4.701 1.00 0.00 N ATOM 774 CA PHE A 53 -0.994 -11.535 -4.040 1.00 0.00 C ATOM 775 C PHE A 53 -2.127 -11.649 -5.061 1.00 0.00 C ATOM 776 O PHE A 53 -3.279 -11.870 -4.692 1.00 0.00 O ATOM 777 CB PHE A 53 -1.152 -10.225 -3.265 1.00 0.00 C ATOM 778 CG PHE A 53 0.111 -9.786 -2.520 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.177 -9.308 -3.215 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.166 -9.874 -1.165 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.350 -8.900 -2.525 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.338 -9.466 -0.474 1.00 0.00 C ATOM 783 CZ PHE A 53 2.405 -8.988 -1.169 1.00 0.00 C ATOM 0 H PHE A 53 0.426 -10.688 -5.327 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.043 -12.405 -3.385 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.444 -9.437 -3.959 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.965 -10.335 -2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.132 -9.238 -4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.681 -10.254 -0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.197 -8.520 -3.077 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.382 -9.535 0.603 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.296 -8.678 -0.644 1.00 0.00 H new ATOM 793 N GLY A 54 -1.761 -11.493 -6.325 1.00 0.00 N ATOM 794 CA GLY A 54 -2.732 -11.576 -7.402 1.00 0.00 C ATOM 795 C GLY A 54 -4.027 -10.850 -7.029 1.00 0.00 C ATOM 796 O GLY A 54 -5.120 -11.361 -7.269 1.00 0.00 O ATOM 0 H GLY A 54 -0.804 -11.309 -6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.314 -11.139 -8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.947 -12.621 -7.623 1.00 0.00 H new ATOM 800 N VAL A 55 -3.860 -9.670 -6.451 1.00 0.00 N ATOM 801 CA VAL A 55 -5.002 -8.869 -6.043 1.00 0.00 C ATOM 802 C VAL A 55 -5.765 -8.406 -7.285 1.00 0.00 C ATOM 803 O VAL A 55 -5.242 -8.468 -8.397 1.00 0.00 O ATOM 804 CB VAL A 55 -4.538 -7.708 -5.159 1.00 0.00 C ATOM 805 CG1 VAL A 55 -3.983 -6.562 -6.008 1.00 0.00 C ATOM 806 CG2 VAL A 55 -5.671 -7.222 -4.253 1.00 0.00 C ATOM 0 H VAL A 55 -2.952 -9.249 -6.255 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.690 -9.464 -5.442 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.733 -8.072 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.660 -5.750 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.134 -6.919 -6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.759 -6.200 -6.682 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.315 -6.397 -3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.506 -6.883 -4.865 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.000 -8.040 -3.612 1.00 0.00 H new ATOM 816 N ASP A 56 -6.989 -7.953 -7.055 1.00 0.00 N ATOM 817 CA ASP A 56 -7.828 -7.480 -8.142 1.00 0.00 C ATOM 818 C ASP A 56 -8.410 -6.113 -7.775 1.00 0.00 C ATOM 819 O ASP A 56 -9.507 -5.765 -8.206 1.00 0.00 O ATOM 820 CB ASP A 56 -8.994 -8.438 -8.393 1.00 0.00 C ATOM 821 CG ASP A 56 -8.932 -9.201 -9.718 1.00 0.00 C ATOM 822 OD1 ASP A 56 -9.226 -8.566 -10.753 1.00 0.00 O ATOM 823 OD2 ASP A 56 -8.591 -10.403 -9.665 1.00 0.00 O ATOM 0 H ASP A 56 -7.419 -7.904 -6.132 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.213 -7.416 -9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.033 -9.160 -7.577 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.924 -7.870 -8.361 1.00 0.00 H new ATOM 828 N ALA A 57 -7.645 -5.375 -6.983 1.00 0.00 N ATOM 829 CA ALA A 57 -8.070 -4.054 -6.553 1.00 0.00 C ATOM 830 C ALA A 57 -8.257 -3.158 -7.779 1.00 0.00 C ATOM 831 O ALA A 57 -7.561 -3.318 -8.781 1.00 0.00 O ATOM 832 CB ALA A 57 -7.049 -3.485 -5.566 1.00 0.00 C ATOM 0 H ALA A 57 -6.734 -5.667 -6.628 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.028 -4.109 -6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.368 -2.494 -5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.975 -4.142 -4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.075 -3.413 -6.051 1.00 0.00 H new ATOM 838 N PRO A 58 -9.226 -2.212 -7.658 1.00 0.00 N ATOM 839 CA PRO A 58 -9.513 -1.290 -8.744 1.00 0.00 C ATOM 840 C PRO A 58 -8.429 -0.217 -8.854 1.00 0.00 C ATOM 841 O PRO A 58 -7.389 -0.312 -8.204 1.00 0.00 O ATOM 842 CB PRO A 58 -10.885 -0.720 -8.423 1.00 0.00 C ATOM 843 CG PRO A 58 -11.111 -0.985 -6.944 1.00 0.00 C ATOM 844 CD PRO A 58 -10.071 -1.993 -6.487 1.00 0.00 C ATOM 0 HA PRO A 58 -9.517 -1.777 -9.719 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.925 0.348 -8.639 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.657 -1.196 -9.027 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.023 -0.061 -6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.116 -1.370 -6.775 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.492 -1.611 -5.647 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.538 -2.921 -6.156 1.00 0.00 H new ATOM 852 N VAL A 59 -8.710 0.779 -9.681 1.00 0.00 N ATOM 853 CA VAL A 59 -7.771 1.870 -9.885 1.00 0.00 C ATOM 854 C VAL A 59 -8.529 3.102 -10.384 1.00 0.00 C ATOM 855 O VAL A 59 -8.270 4.218 -9.937 1.00 0.00 O ATOM 856 CB VAL A 59 -6.654 1.429 -10.832 1.00 0.00 C ATOM 857 CG1 VAL A 59 -5.787 2.619 -11.248 1.00 0.00 C ATOM 858 CG2 VAL A 59 -5.802 0.326 -10.201 1.00 0.00 C ATOM 0 H VAL A 59 -9.574 0.854 -10.218 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.291 2.143 -8.945 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.119 1.021 -11.730 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.000 2.278 -11.921 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.405 3.359 -11.757 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.337 3.069 -10.363 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.016 0.031 -10.896 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.352 0.696 -9.280 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.430 -0.536 -9.977 1.00 0.00 H new ATOM 868 N SER A 60 -9.448 2.858 -11.306 1.00 0.00 N ATOM 869 CA SER A 60 -10.245 3.933 -11.872 1.00 0.00 C ATOM 870 C SER A 60 -10.404 5.060 -10.849 1.00 0.00 C ATOM 871 O SER A 60 -9.902 6.165 -11.054 1.00 0.00 O ATOM 872 CB SER A 60 -11.616 3.425 -12.321 1.00 0.00 C ATOM 873 OG SER A 60 -11.802 3.562 -13.726 1.00 0.00 O ATOM 0 H SER A 60 -9.659 1.931 -11.676 1.00 0.00 H new ATOM 0 HA SER A 60 -9.726 4.318 -12.750 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.724 2.377 -12.042 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.396 3.976 -11.797 1.00 0.00 H new ATOM 0 HG SER A 60 -12.688 3.225 -13.973 1.00 0.00 H new ATOM 879 N GLU A 61 -11.105 4.742 -9.771 1.00 0.00 N ATOM 880 CA GLU A 61 -11.337 5.714 -8.716 1.00 0.00 C ATOM 881 C GLU A 61 -11.786 5.010 -7.434 1.00 0.00 C ATOM 882 O GLU A 61 -12.952 5.093 -7.052 1.00 0.00 O ATOM 883 CB GLU A 61 -12.362 6.763 -9.153 1.00 0.00 C ATOM 884 CG GLU A 61 -11.728 8.154 -9.220 1.00 0.00 C ATOM 885 CD GLU A 61 -11.403 8.539 -10.665 1.00 0.00 C ATOM 886 OE1 GLU A 61 -12.201 8.154 -11.548 1.00 0.00 O ATOM 887 OE2 GLU A 61 -10.365 9.209 -10.855 1.00 0.00 O ATOM 0 H GLU A 61 -11.520 3.825 -9.605 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.399 6.232 -8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.767 6.496 -10.129 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.198 6.774 -8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.408 8.889 -8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.817 8.172 -8.621 1.00 0.00 H new ATOM 894 N PHE A 62 -10.836 4.332 -6.806 1.00 0.00 N ATOM 895 CA PHE A 62 -11.119 3.613 -5.576 1.00 0.00 C ATOM 896 C PHE A 62 -11.031 4.543 -4.364 1.00 0.00 C ATOM 897 O PHE A 62 -10.926 5.760 -4.517 1.00 0.00 O ATOM 898 CB PHE A 62 -10.058 2.520 -5.443 1.00 0.00 C ATOM 899 CG PHE A 62 -8.624 3.016 -5.637 1.00 0.00 C ATOM 900 CD1 PHE A 62 -8.125 3.988 -4.828 1.00 0.00 C ATOM 901 CD2 PHE A 62 -7.849 2.486 -6.621 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.795 4.450 -5.010 1.00 0.00 C ATOM 903 CE2 PHE A 62 -6.518 2.947 -6.802 1.00 0.00 C ATOM 904 CZ PHE A 62 -6.020 3.920 -5.993 1.00 0.00 C ATOM 0 H PHE A 62 -9.870 4.266 -7.126 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.127 3.200 -5.610 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -10.143 2.064 -4.457 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.263 1.738 -6.175 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.741 4.409 -4.047 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.246 1.715 -7.265 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.399 5.223 -4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.902 2.525 -7.582 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.008 4.272 -6.132 1.00 0.00 H new ATOM 914 N ASP A 63 -11.076 3.937 -3.187 1.00 0.00 N ATOM 915 CA ASP A 63 -11.003 4.696 -1.951 1.00 0.00 C ATOM 916 C ASP A 63 -9.535 4.924 -1.584 1.00 0.00 C ATOM 917 O ASP A 63 -8.977 4.201 -0.760 1.00 0.00 O ATOM 918 CB ASP A 63 -11.665 3.938 -0.798 1.00 0.00 C ATOM 919 CG ASP A 63 -11.986 4.786 0.433 1.00 0.00 C ATOM 920 OD1 ASP A 63 -12.140 6.013 0.254 1.00 0.00 O ATOM 921 OD2 ASP A 63 -12.071 4.188 1.528 1.00 0.00 O ATOM 0 H ASP A 63 -11.162 2.928 -3.063 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.522 5.642 -2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.589 3.488 -1.162 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.010 3.121 -0.497 1.00 0.00 H new ATOM 926 N ARG A 64 -8.951 5.933 -2.215 1.00 0.00 N ATOM 927 CA ARG A 64 -7.559 6.266 -1.966 1.00 0.00 C ATOM 928 C ARG A 64 -7.275 6.268 -0.462 1.00 0.00 C ATOM 929 O ARG A 64 -6.138 6.060 -0.042 1.00 0.00 O ATOM 930 CB ARG A 64 -7.207 7.637 -2.547 1.00 0.00 C ATOM 931 CG ARG A 64 -8.338 8.640 -2.306 1.00 0.00 C ATOM 932 CD ARG A 64 -7.856 9.815 -1.452 1.00 0.00 C ATOM 933 NE ARG A 64 -8.938 10.258 -0.546 1.00 0.00 N ATOM 934 CZ ARG A 64 -9.898 11.127 -0.890 1.00 0.00 C ATOM 935 NH1 ARG A 64 -9.916 11.650 -2.123 1.00 0.00 N ATOM 936 NH2 ARG A 64 -10.840 11.472 -0.002 1.00 0.00 N ATOM 0 H ARG A 64 -9.417 6.530 -2.898 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.945 5.510 -2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.287 8.004 -2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.019 7.545 -3.617 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.711 9.009 -3.261 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.171 8.142 -1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.982 9.519 -0.871 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.547 10.640 -2.094 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.954 9.878 0.400 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.199 11.387 -2.799 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.647 12.312 -2.386 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.827 11.073 0.937 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.571 12.134 -0.265 1.00 0.00 H new ATOM 950 N LYS A 65 -8.327 6.507 0.306 1.00 0.00 N ATOM 951 CA LYS A 65 -8.206 6.540 1.753 1.00 0.00 C ATOM 952 C LYS A 65 -7.680 5.191 2.247 1.00 0.00 C ATOM 953 O LYS A 65 -6.921 5.132 3.214 1.00 0.00 O ATOM 954 CB LYS A 65 -9.531 6.956 2.394 1.00 0.00 C ATOM 955 CG LYS A 65 -9.637 6.429 3.826 1.00 0.00 C ATOM 956 CD LYS A 65 -10.295 7.462 4.743 1.00 0.00 C ATOM 957 CE LYS A 65 -9.240 8.276 5.497 1.00 0.00 C ATOM 958 NZ LYS A 65 -8.724 9.370 4.645 1.00 0.00 N ATOM 0 H LYS A 65 -9.268 6.680 -0.047 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.482 7.296 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.613 8.043 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.362 6.575 1.800 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.218 5.507 3.836 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.644 6.184 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.922 8.130 4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.948 6.958 5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.673 8.690 6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.420 7.626 5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.034 9.933 5.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.262 8.967 3.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.512 9.980 4.348 1.00 0.00 H new ATOM 972 N GLU A 66 -8.104 4.139 1.561 1.00 0.00 N ATOM 973 CA GLU A 66 -7.686 2.795 1.918 1.00 0.00 C ATOM 974 C GLU A 66 -6.278 2.518 1.387 1.00 0.00 C ATOM 975 O GLU A 66 -5.542 1.716 1.960 1.00 0.00 O ATOM 976 CB GLU A 66 -8.681 1.755 1.398 1.00 0.00 C ATOM 977 CG GLU A 66 -8.170 0.334 1.647 1.00 0.00 C ATOM 978 CD GLU A 66 -9.330 -0.661 1.712 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.095 -0.707 0.725 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.425 -1.355 2.748 1.00 0.00 O ATOM 0 H GLU A 66 -8.733 4.191 0.760 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.665 2.719 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.644 1.890 1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.844 1.905 0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.483 0.046 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.608 0.304 2.580 1.00 0.00 H new ATOM 987 N TRP A 67 -5.945 3.198 0.301 1.00 0.00 N ATOM 988 CA TRP A 67 -4.639 3.036 -0.314 1.00 0.00 C ATOM 989 C TRP A 67 -3.772 4.227 0.099 1.00 0.00 C ATOM 990 O TRP A 67 -2.746 4.499 -0.525 1.00 0.00 O ATOM 991 CB TRP A 67 -4.761 2.883 -1.832 1.00 0.00 C ATOM 992 CG TRP A 67 -5.896 1.959 -2.274 1.00 0.00 C ATOM 993 CD1 TRP A 67 -7.149 2.292 -2.614 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.830 0.523 -2.413 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.892 1.183 -2.959 1.00 0.00 N ATOM 996 CE2 TRP A 67 -7.066 0.073 -2.833 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.764 -0.365 -2.190 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -7.350 -1.278 -3.067 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -5.064 -1.711 -2.428 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -6.302 -2.181 -2.852 1.00 0.00 C ATOM 0 H TRP A 67 -6.558 3.864 -0.170 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.161 2.120 0.032 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.914 3.867 -2.275 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.820 2.499 -2.225 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.529 3.303 -2.617 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.869 1.178 -3.253 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.790 -0.035 -1.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -8.325 -1.606 -3.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -4.279 -2.436 -2.271 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -6.454 -3.238 -3.015 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.214 4.905 1.148 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.491 6.061 1.651 1.00 0.00 C ATOM 1013 C ASP A 68 -2.540 5.616 2.765 1.00 0.00 C ATOM 1014 O ASP A 68 -1.459 6.182 2.925 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.450 7.099 2.236 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.860 7.972 3.345 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.658 8.294 3.234 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.625 8.299 4.278 1.00 0.00 O ATOM 0 H ASP A 68 -5.064 4.676 1.664 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.943 6.504 0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.796 7.746 1.430 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.326 6.582 2.628 1.00 0.00 H new ATOM 1023 N THR A 69 -2.976 4.607 3.504 1.00 0.00 N ATOM 1024 CA THR A 69 -2.177 4.081 4.597 1.00 0.00 C ATOM 1025 C THR A 69 -1.756 2.638 4.304 1.00 0.00 C ATOM 1026 O THR A 69 -2.335 1.983 3.439 1.00 0.00 O ATOM 1027 CB THR A 69 -2.985 4.227 5.887 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.341 4.104 5.464 1.00 0.00 O ATOM 1029 CG2 THR A 69 -2.904 5.638 6.472 1.00 0.00 C ATOM 0 H THR A 69 -3.872 4.140 3.367 1.00 0.00 H new ATOM 0 HA THR A 69 -1.249 4.641 4.713 1.00 0.00 H new ATOM 0 HB THR A 69 -2.626 3.508 6.623 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.918 4.627 6.059 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.495 5.687 7.387 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.865 5.879 6.698 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.294 6.355 5.749 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.726 2.175 5.061 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.220 0.824 4.890 1.00 0.00 C ATOM 1039 C PRO A 70 -1.177 -0.201 5.505 1.00 0.00 C ATOM 1040 O PRO A 70 -1.410 -1.262 4.929 1.00 0.00 O ATOM 1041 CB PRO A 70 1.148 0.829 5.551 1.00 0.00 C ATOM 1042 CG PRO A 70 1.165 2.041 6.468 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.016 2.923 6.094 1.00 0.00 C ATOM 0 HA PRO A 70 -0.140 0.534 3.842 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.312 -0.089 6.115 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.941 0.892 4.806 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.096 1.732 7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.101 2.589 6.359 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.656 3.113 6.955 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.316 3.893 5.723 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.706 0.155 6.667 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.633 -0.720 7.366 1.00 0.00 C ATOM 1053 C ASN A 71 -3.872 -0.943 6.496 1.00 0.00 C ATOM 1054 O ASN A 71 -4.202 -2.079 6.159 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.088 -0.097 8.687 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.714 -0.990 9.872 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -2.856 -2.201 9.838 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.232 -0.327 10.918 1.00 0.00 N ATOM 0 H ASN A 71 -1.511 1.036 7.142 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.121 -1.661 7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.629 0.884 8.807 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.167 0.056 8.669 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.955 -0.833 11.759 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.139 0.688 10.880 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.523 0.160 6.158 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.719 0.099 5.333 1.00 0.00 C ATOM 1067 C LYS A 72 -5.446 -0.776 4.109 1.00 0.00 C ATOM 1068 O LYS A 72 -6.353 -1.422 3.587 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.203 1.509 4.987 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.457 1.870 5.787 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.745 3.370 5.705 1.00 0.00 C ATOM 1072 CE LYS A 72 -7.560 4.039 7.068 1.00 0.00 C ATOM 1073 NZ LYS A 72 -8.519 3.487 8.051 1.00 0.00 N ATOM 0 H LYS A 72 -4.246 1.100 6.440 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.537 -0.368 5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.413 2.230 5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.417 1.572 3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.311 1.310 5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.325 1.578 6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.080 3.832 4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.764 3.530 5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.540 3.885 7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.705 5.115 6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.755 4.217 8.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.385 3.187 7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.092 2.669 8.531 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.190 -0.769 3.685 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.785 -1.553 2.531 1.00 0.00 C ATOM 1089 C ILE A 73 -3.552 -3.003 2.962 1.00 0.00 C ATOM 1090 O ILE A 73 -4.127 -3.926 2.387 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.576 -0.914 1.845 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -2.989 0.326 1.051 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.836 -1.932 0.975 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.800 0.906 0.280 1.00 0.00 C ATOM 0 H ILE A 73 -3.440 -0.232 4.121 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.577 -1.565 1.782 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.880 -0.585 2.617 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.787 0.067 0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.390 1.080 1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.981 -1.451 0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.488 -2.757 1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.510 -2.314 0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.122 1.787 -0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.014 1.186 0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.417 0.158 -0.415 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.706 -3.159 3.970 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.390 -4.480 4.485 1.00 0.00 C ATOM 1108 C ILE A 74 -3.687 -5.258 4.713 1.00 0.00 C ATOM 1109 O ILE A 74 -3.693 -6.487 4.675 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.510 -4.373 5.732 1.00 0.00 C ATOM 1111 CG1 ILE A 74 -0.025 -4.398 5.360 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.865 -5.460 6.748 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.844 -3.968 6.543 1.00 0.00 C ATOM 0 H ILE A 74 -2.230 -2.392 4.444 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.805 -5.042 3.757 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.706 -3.412 6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.257 -5.402 5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.153 -3.735 4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.225 -5.362 7.625 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.908 -5.353 7.046 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.715 -6.441 6.298 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.894 -3.995 6.252 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.576 -2.955 6.842 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.682 -4.648 7.379 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.756 -4.509 4.946 1.00 0.00 N ATOM 1126 CA ALA A 75 -6.056 -5.113 5.179 1.00 0.00 C ATOM 1127 C ALA A 75 -6.730 -5.399 3.836 1.00 0.00 C ATOM 1128 O ALA A 75 -7.426 -6.403 3.687 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.895 -4.192 6.068 1.00 0.00 C ATOM 0 H ALA A 75 -4.747 -3.490 4.978 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.949 -6.063 5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.871 -4.645 6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.387 -4.045 7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.025 -3.229 5.574 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.501 -4.499 2.891 1.00 0.00 N ATOM 1136 CA LYS A 76 -7.078 -4.641 1.565 1.00 0.00 C ATOM 1137 C LYS A 76 -6.441 -5.844 0.865 1.00 0.00 C ATOM 1138 O LYS A 76 -7.105 -6.545 0.102 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.950 -3.334 0.781 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.874 -3.333 -0.439 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.337 -3.483 -0.018 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.277 -3.019 -1.133 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.595 -3.680 -1.008 1.00 0.00 N ATOM 0 H LYS A 76 -5.923 -3.668 3.018 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.148 -4.839 1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.196 -2.492 1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.917 -3.198 0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.745 -2.405 -0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.599 -4.148 -1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.544 -4.525 0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.521 -2.900 0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.400 -1.937 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.839 -3.248 -2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.221 -3.354 -1.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.474 -4.711 -1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.018 -3.440 -0.089 1.00 0.00 H new ATOM 1157 N VAL A 77 -5.163 -6.044 1.146 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.429 -7.148 0.552 1.00 0.00 C ATOM 1159 C VAL A 77 -4.858 -8.458 1.219 1.00 0.00 C ATOM 1160 O VAL A 77 -4.930 -9.497 0.566 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.924 -6.892 0.652 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -2.127 -8.116 0.199 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.525 -5.651 -0.149 1.00 0.00 C ATOM 0 H VAL A 77 -4.616 -5.460 1.778 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.660 -7.232 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.685 -6.707 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.060 -7.906 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.378 -8.968 0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.373 -8.347 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.450 -5.491 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.786 -5.795 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.054 -4.781 0.240 1.00 0.00 H new ATOM 1173 N GLU A 78 -5.131 -8.363 2.512 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.551 -9.527 3.275 1.00 0.00 C ATOM 1175 C GLU A 78 -7.015 -9.855 2.979 1.00 0.00 C ATOM 1176 O GLU A 78 -7.433 -11.006 3.096 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.329 -9.309 4.774 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.837 -9.268 5.107 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.294 -10.677 5.358 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -3.816 -11.330 6.286 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -2.367 -11.067 4.615 1.00 0.00 O ATOM 0 H GLU A 78 -5.070 -7.499 3.051 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.940 -10.377 2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.800 -8.376 5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.809 -10.110 5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.290 -8.804 4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.674 -8.649 5.989 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.756 -8.823 2.601 1.00 0.00 N ATOM 1189 CA GLN A 79 -9.165 -8.988 2.287 1.00 0.00 C ATOM 1190 C GLN A 79 -9.358 -9.134 0.776 1.00 0.00 C ATOM 1191 O GLN A 79 -10.413 -8.787 0.246 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.989 -7.822 2.835 1.00 0.00 C ATOM 1193 CG GLN A 79 -10.450 -8.101 4.267 1.00 0.00 C ATOM 1194 CD GLN A 79 -10.484 -6.815 5.094 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -9.814 -5.839 4.799 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -11.300 -6.867 6.142 1.00 0.00 N ATOM 0 H GLN A 79 -7.407 -7.869 2.505 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.521 -9.899 2.769 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.394 -6.909 2.812 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.856 -7.653 2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.441 -8.554 4.252 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.778 -8.821 4.735 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.833 -7.716 6.332 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.394 -6.058 6.756 1.00 0.00 H new ATOM 1205 N ALA A 80 -8.324 -9.645 0.125 1.00 0.00 N ATOM 1206 CA ALA A 80 -8.367 -9.840 -1.314 1.00 0.00 C ATOM 1207 C ALA A 80 -8.001 -11.290 -1.639 1.00 0.00 C ATOM 1208 O ALA A 80 -8.673 -11.938 -2.440 1.00 0.00 O ATOM 1209 CB ALA A 80 -7.433 -8.837 -1.993 1.00 0.00 C ATOM 0 H ALA A 80 -7.451 -9.930 0.568 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.372 -9.660 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.465 -8.983 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.753 -7.823 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.414 -8.989 -1.636 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.938 -11.756 -1.000 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.475 -13.116 -1.212 1.00 0.00 C ATOM 1217 C GLN A 81 -7.660 -14.085 -1.225 1.00 0.00 C ATOM 1218 O GLN A 81 -8.277 -14.331 -0.189 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.450 -13.519 -0.149 1.00 0.00 C ATOM 1220 CG GLN A 81 -4.214 -12.620 -0.211 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.689 -12.509 -1.644 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -2.812 -13.242 -2.071 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -4.273 -11.554 -2.362 1.00 0.00 N ATOM 0 H GLN A 81 -6.384 -11.216 -0.335 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.981 -13.163 -2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.902 -13.454 0.841 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.156 -14.558 -0.297 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.462 -11.628 0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.434 -13.022 0.436 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.001 -10.975 -1.944 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.993 -11.401 -3.331 1.00 0.00 H new