USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 381 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 Set 1.1: A 1 GLY N :NH3+ -154:sc= 1.14 (180deg=0.0754) USER MOD Set 1.2: B 30 THR OG1 : rot 90:sc= 0.728 USER MOD Single : A 5 GLN : amide:sc= 0.714 K(o=0.71,f=-0.0022) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -123:sc= 0.219 USER MOD Single : A 12 SER OG : rot 33:sc= 0.193 USER MOD Single : A 14 TYR OH : rot 60:sc= 1.09 USER MOD Single : A 15 GLN : amide:sc= -0.0751 X(o=-0.075,f=-0.075) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.791 K(o=0.79,f=0) USER MOD Single : B 1 PHE N :NH3+ 143:sc= 0.444 (180deg=0.044) USER MOD Single : B 3 ASN : amide:sc= -0.0603 K(o=-0.06,f=-3.9!) USER MOD Single : B 4 GLN : amide:sc= 0.831 K(o=0.83,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.491 K(o=0.49,f=-1.8!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -136:sc= 0.511 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.472 10.541 -2.354 1.00 0.00 N ATOM 2 CA GLY A 1 -3.846 9.167 -2.768 1.00 0.00 C ATOM 3 C GLY A 1 -2.776 8.544 -3.645 1.00 0.00 C ATOM 4 O GLY A 1 -1.969 9.251 -4.252 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.944 10.774 -1.457 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.441 10.597 -2.227 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.768 11.217 -3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.000 8.548 -1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.792 9.193 -3.308 1.00 0.00 H new ATOM 10 N ILE A 2 -2.735 7.206 -3.725 1.00 0.00 N ATOM 11 CA ILE A 2 -1.615 6.456 -4.346 1.00 0.00 C ATOM 12 C ILE A 2 -1.379 6.774 -5.826 1.00 0.00 C ATOM 13 O ILE A 2 -0.231 6.749 -6.260 1.00 0.00 O ATOM 14 CB ILE A 2 -1.752 4.937 -4.076 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.403 4.214 -4.305 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.893 4.288 -4.885 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.336 2.839 -3.634 1.00 0.00 C ATOM 0 H ILE A 2 -3.475 6.605 -3.362 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.708 6.808 -3.855 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.025 4.822 -3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.238 4.097 -5.376 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.406 4.837 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.942 3.224 -4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.840 4.760 -4.622 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.705 4.421 -5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.635 2.384 -3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.471 2.952 -2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.124 2.201 -4.033 1.00 0.00 H new ATOM 29 N VAL A 3 -2.415 7.146 -6.582 1.00 0.00 N ATOM 30 CA VAL A 3 -2.269 7.478 -8.017 1.00 0.00 C ATOM 31 C VAL A 3 -1.475 8.783 -8.228 1.00 0.00 C ATOM 32 O VAL A 3 -0.810 8.922 -9.256 1.00 0.00 O ATOM 33 CB VAL A 3 -3.627 7.497 -8.758 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.509 7.791 -10.266 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.348 6.149 -8.604 1.00 0.00 C ATOM 0 H VAL A 3 -3.369 7.227 -6.231 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.684 6.675 -8.465 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.190 8.308 -8.295 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.502 7.788 -10.716 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.048 8.768 -10.411 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.894 7.026 -10.739 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.301 6.184 -9.132 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.729 5.355 -9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.526 5.950 -7.547 1.00 0.00 H new ATOM 45 N GLU A 4 -1.466 9.703 -7.251 1.00 0.00 N ATOM 46 CA GLU A 4 -0.554 10.859 -7.254 1.00 0.00 C ATOM 47 C GLU A 4 0.795 10.499 -6.614 1.00 0.00 C ATOM 48 O GLU A 4 1.843 10.777 -7.203 1.00 0.00 O ATOM 49 CB GLU A 4 -1.179 12.065 -6.530 1.00 0.00 C ATOM 50 CG GLU A 4 -2.415 12.604 -7.259 1.00 0.00 C ATOM 51 CD GLU A 4 -2.898 13.960 -6.705 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.661 14.275 -5.514 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.520 14.735 -7.472 1.00 0.00 O ATOM 0 H GLU A 4 -2.086 9.668 -6.442 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.382 11.135 -8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.456 11.774 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.437 12.858 -6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.186 12.712 -8.319 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.223 11.877 -7.179 1.00 0.00 H new ATOM 60 N GLN A 5 0.791 9.860 -5.436 1.00 0.00 N ATOM 61 CA GLN A 5 2.017 9.557 -4.681 1.00 0.00 C ATOM 62 C GLN A 5 2.976 8.660 -5.471 1.00 0.00 C ATOM 63 O GLN A 5 4.171 8.935 -5.488 1.00 0.00 O ATOM 64 CB GLN A 5 1.646 8.913 -3.333 1.00 0.00 C ATOM 65 CG GLN A 5 2.848 8.421 -2.501 1.00 0.00 C ATOM 66 CD GLN A 5 3.871 9.516 -2.169 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.545 10.563 -1.622 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.138 9.323 -2.465 1.00 0.00 N ATOM 0 H GLN A 5 -0.062 9.538 -4.979 1.00 0.00 H new ATOM 0 HA GLN A 5 2.544 10.494 -4.501 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.085 9.637 -2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.981 8.070 -3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.480 7.989 -1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.351 7.622 -3.046 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.429 8.458 -2.920 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.829 10.038 -2.239 1.00 0.00 H new ATOM 77 N CYS A 6 2.489 7.606 -6.128 1.00 0.00 N ATOM 78 CA CYS A 6 3.352 6.668 -6.854 1.00 0.00 C ATOM 79 C CYS A 6 3.794 7.179 -8.233 1.00 0.00 C ATOM 80 O CYS A 6 4.772 6.669 -8.780 1.00 0.00 O ATOM 81 CB CYS A 6 2.637 5.317 -6.977 1.00 0.00 C ATOM 82 SG CYS A 6 3.760 3.901 -6.870 1.00 0.00 S ATOM 0 H CYS A 6 1.496 7.378 -6.173 1.00 0.00 H new ATOM 0 HA CYS A 6 4.269 6.559 -6.276 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.887 5.238 -6.190 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.106 5.280 -7.928 1.00 0.00 H new ATOM 87 N CYS A 7 3.085 8.160 -8.804 1.00 0.00 N ATOM 88 CA CYS A 7 3.323 8.669 -10.163 1.00 0.00 C ATOM 89 C CYS A 7 4.117 9.985 -10.181 1.00 0.00 C ATOM 90 O CYS A 7 5.167 10.060 -10.833 1.00 0.00 O ATOM 91 CB CYS A 7 1.968 8.843 -10.863 1.00 0.00 C ATOM 92 SG CYS A 7 2.068 9.398 -12.585 1.00 0.00 S ATOM 0 H CYS A 7 2.316 8.632 -8.328 1.00 0.00 H new ATOM 0 HA CYS A 7 3.938 7.943 -10.695 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.435 7.893 -10.833 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.373 9.561 -10.299 1.00 0.00 H new ATOM 97 N THR A 8 3.626 11.011 -9.471 1.00 0.00 N ATOM 98 CA THR A 8 4.208 12.364 -9.409 1.00 0.00 C ATOM 99 C THR A 8 5.438 12.367 -8.512 1.00 0.00 C ATOM 100 O THR A 8 6.476 12.916 -8.882 1.00 0.00 O ATOM 101 CB THR A 8 3.148 13.362 -8.909 1.00 0.00 C ATOM 102 OG1 THR A 8 2.015 13.263 -9.749 1.00 0.00 O ATOM 103 CG2 THR A 8 3.640 14.809 -8.951 1.00 0.00 C ATOM 0 H THR A 8 2.783 10.921 -8.903 1.00 0.00 H new ATOM 0 HA THR A 8 4.523 12.670 -10.407 1.00 0.00 H new ATOM 0 HB THR A 8 2.919 13.112 -7.873 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.327 13.891 -9.445 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.854 15.471 -8.588 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.522 14.912 -8.319 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.895 15.077 -9.976 1.00 0.00 H new ATOM 111 N SER A 9 5.346 11.690 -7.371 1.00 0.00 N ATOM 112 CA SER A 9 6.509 11.199 -6.617 1.00 0.00 C ATOM 113 C SER A 9 6.714 9.695 -6.917 1.00 0.00 C ATOM 114 O SER A 9 6.381 9.231 -8.010 1.00 0.00 O ATOM 115 CB SER A 9 6.320 11.541 -5.126 1.00 0.00 C ATOM 116 OG SER A 9 7.503 11.292 -4.373 1.00 0.00 O ATOM 0 H SER A 9 4.453 11.461 -6.934 1.00 0.00 H new ATOM 0 HA SER A 9 7.432 11.691 -6.925 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.039 12.590 -5.026 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.499 10.951 -4.719 1.00 0.00 H new ATOM 0 HG SER A 9 7.302 10.667 -3.645 1.00 0.00 H new ATOM 122 N ILE A 10 7.269 8.925 -5.980 1.00 0.00 N ATOM 123 CA ILE A 10 7.514 7.478 -6.100 1.00 0.00 C ATOM 124 C ILE A 10 6.794 6.678 -5.005 1.00 0.00 C ATOM 125 O ILE A 10 6.491 7.201 -3.929 1.00 0.00 O ATOM 126 CB ILE A 10 9.035 7.183 -6.112 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.747 7.659 -4.822 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.670 7.786 -7.378 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.246 7.327 -4.789 1.00 0.00 C ATOM 0 H ILE A 10 7.573 9.301 -5.082 1.00 0.00 H new ATOM 0 HA ILE A 10 7.095 7.150 -7.051 1.00 0.00 H new ATOM 0 HB ILE A 10 9.168 6.101 -6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.620 8.737 -4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.263 7.201 -3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.740 7.577 -7.383 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.209 7.344 -8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.511 8.864 -7.386 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.679 7.690 -3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.381 6.247 -4.856 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.744 7.808 -5.631 1.00 0.00 H new ATOM 141 N CYS A 11 6.567 5.386 -5.255 1.00 0.00 N ATOM 142 CA CYS A 11 6.161 4.423 -4.229 1.00 0.00 C ATOM 143 C CYS A 11 6.674 3.000 -4.503 1.00 0.00 C ATOM 144 O CYS A 11 7.162 2.679 -5.591 1.00 0.00 O ATOM 145 CB CYS A 11 4.643 4.469 -3.980 1.00 0.00 C ATOM 146 SG CYS A 11 3.595 3.325 -4.925 1.00 0.00 S ATOM 0 H CYS A 11 6.661 4.975 -6.184 1.00 0.00 H new ATOM 0 HA CYS A 11 6.646 4.731 -3.303 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.472 4.282 -2.920 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.301 5.483 -4.184 1.00 0.00 H new ATOM 151 N SER A 12 6.602 2.141 -3.489 1.00 0.00 N ATOM 152 CA SER A 12 7.125 0.771 -3.536 1.00 0.00 C ATOM 153 C SER A 12 6.007 -0.274 -3.554 1.00 0.00 C ATOM 154 O SER A 12 4.850 0.018 -3.240 1.00 0.00 O ATOM 155 CB SER A 12 8.068 0.545 -2.341 1.00 0.00 C ATOM 156 OG SER A 12 8.767 -0.687 -2.462 1.00 0.00 O ATOM 0 H SER A 12 6.172 2.378 -2.595 1.00 0.00 H new ATOM 0 HA SER A 12 7.679 0.649 -4.467 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.782 1.366 -2.278 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.493 0.550 -1.415 1.00 0.00 H new ATOM 0 HG SER A 12 8.935 -0.876 -3.409 1.00 0.00 H new ATOM 162 N LEU A 13 6.362 -1.524 -3.865 1.00 0.00 N ATOM 163 CA LEU A 13 5.459 -2.679 -3.829 1.00 0.00 C ATOM 164 C LEU A 13 4.833 -2.868 -2.438 1.00 0.00 C ATOM 165 O LEU A 13 3.674 -3.257 -2.319 1.00 0.00 O ATOM 166 CB LEU A 13 6.250 -3.930 -4.248 1.00 0.00 C ATOM 167 CG LEU A 13 6.963 -3.852 -5.621 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.581 -5.221 -5.944 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.049 -3.415 -6.771 1.00 0.00 C ATOM 0 H LEU A 13 7.309 -1.767 -4.156 1.00 0.00 H new ATOM 0 HA LEU A 13 4.635 -2.510 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.999 -4.136 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.567 -4.780 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 13 7.730 -3.083 -5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.085 -5.174 -6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.302 -5.486 -5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.795 -5.975 -5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.621 -3.384 -7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.229 -4.125 -6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.647 -2.424 -6.560 1.00 0.00 H new ATOM 181 N TYR A 14 5.567 -2.507 -1.385 1.00 0.00 N ATOM 182 CA TYR A 14 5.063 -2.448 -0.011 1.00 0.00 C ATOM 183 C TYR A 14 3.881 -1.475 0.171 1.00 0.00 C ATOM 184 O TYR A 14 2.976 -1.733 0.963 1.00 0.00 O ATOM 185 CB TYR A 14 6.215 -2.015 0.911 1.00 0.00 C ATOM 186 CG TYR A 14 7.470 -2.872 0.892 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.391 -4.267 1.078 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.730 -2.256 0.749 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.564 -5.044 1.128 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.907 -3.029 0.796 1.00 0.00 C ATOM 191 CZ TYR A 14 9.829 -4.426 0.996 1.00 0.00 C ATOM 192 OH TYR A 14 10.973 -5.159 1.078 1.00 0.00 O ATOM 0 H TYR A 14 6.549 -2.242 -1.464 1.00 0.00 H new ATOM 0 HA TYR A 14 4.691 -3.441 0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.496 -0.996 0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.839 -1.987 1.934 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.427 -4.742 1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.793 -1.188 0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.498 -6.113 1.267 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.870 -2.554 0.679 1.00 0.00 H new ATOM 0 HH TYR A 14 10.978 -5.838 0.371 1.00 0.00 H new ATOM 202 N GLN A 15 3.866 -0.372 -0.582 1.00 0.00 N ATOM 203 CA GLN A 15 2.791 0.627 -0.571 1.00 0.00 C ATOM 204 C GLN A 15 1.619 0.186 -1.458 1.00 0.00 C ATOM 205 O GLN A 15 0.465 0.434 -1.104 1.00 0.00 O ATOM 206 CB GLN A 15 3.325 2.002 -1.010 1.00 0.00 C ATOM 207 CG GLN A 15 4.463 2.535 -0.114 1.00 0.00 C ATOM 208 CD GLN A 15 4.060 2.661 1.357 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.401 1.836 2.195 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.290 3.664 1.725 1.00 0.00 N ATOM 0 H GLN A 15 4.618 -0.142 -1.232 1.00 0.00 H new ATOM 0 HA GLN A 15 2.421 0.715 0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.684 1.933 -2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.504 2.720 -1.007 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.322 1.869 -0.193 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.781 3.510 -0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.997 4.360 1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.987 3.745 2.696 1.00 0.00 H new ATOM 219 N LEU A 16 1.886 -0.540 -2.555 1.00 0.00 N ATOM 220 CA LEU A 16 0.845 -1.233 -3.328 1.00 0.00 C ATOM 221 C LEU A 16 0.120 -2.273 -2.451 1.00 0.00 C ATOM 222 O LEU A 16 -1.109 -2.339 -2.451 1.00 0.00 O ATOM 223 CB LEU A 16 1.460 -1.873 -4.591 1.00 0.00 C ATOM 224 CG LEU A 16 2.211 -0.915 -5.539 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.723 -1.692 -6.756 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.345 0.248 -6.031 1.00 0.00 C ATOM 0 H LEU A 16 2.827 -0.663 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 16 0.099 -0.508 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.150 -2.657 -4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.662 -2.357 -5.154 1.00 0.00 H new ATOM 0 HG LEU A 16 3.035 -0.492 -4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.253 -1.013 -7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.401 -2.479 -6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.880 -2.137 -7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.932 0.884 -6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.484 -0.143 -6.573 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.001 0.832 -5.177 1.00 0.00 H new ATOM 238 N GLU A 17 0.868 -3.037 -1.650 1.00 0.00 N ATOM 239 CA GLU A 17 0.316 -3.979 -0.670 1.00 0.00 C ATOM 240 C GLU A 17 -0.462 -3.264 0.457 1.00 0.00 C ATOM 241 O GLU A 17 -1.498 -3.761 0.898 1.00 0.00 O ATOM 242 CB GLU A 17 1.458 -4.839 -0.097 1.00 0.00 C ATOM 243 CG GLU A 17 0.939 -6.048 0.683 1.00 0.00 C ATOM 244 CD GLU A 17 2.103 -6.901 1.210 1.00 0.00 C ATOM 245 OE1 GLU A 17 2.649 -6.578 2.291 1.00 0.00 O ATOM 246 OE2 GLU A 17 2.474 -7.904 0.552 1.00 0.00 O ATOM 0 H GLU A 17 1.888 -3.019 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.404 -4.620 -1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.096 -5.182 -0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.078 -4.226 0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.323 -5.711 1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.301 -6.654 0.040 1.00 0.00 H new ATOM 253 N ASN A 18 -0.026 -2.079 0.903 1.00 0.00 N ATOM 254 CA ASN A 18 -0.732 -1.291 1.925 1.00 0.00 C ATOM 255 C ASN A 18 -2.134 -0.821 1.467 1.00 0.00 C ATOM 256 O ASN A 18 -3.046 -0.699 2.286 1.00 0.00 O ATOM 257 CB ASN A 18 0.147 -0.099 2.331 1.00 0.00 C ATOM 258 CG ASN A 18 -0.444 0.689 3.496 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.987 1.772 3.327 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.366 0.164 4.706 1.00 0.00 N ATOM 0 H ASN A 18 0.829 -1.637 0.565 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.906 -1.936 2.786 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.139 -0.459 2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.274 0.564 1.475 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.760 0.662 5.504 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.088 -0.739 4.842 1.00 0.00 H new ATOM 267 N TYR A 19 -2.328 -0.612 0.159 1.00 0.00 N ATOM 268 CA TYR A 19 -3.629 -0.321 -0.468 1.00 0.00 C ATOM 269 C TYR A 19 -4.476 -1.581 -0.768 1.00 0.00 C ATOM 270 O TYR A 19 -5.604 -1.466 -1.257 1.00 0.00 O ATOM 271 CB TYR A 19 -3.392 0.536 -1.725 1.00 0.00 C ATOM 272 CG TYR A 19 -3.497 2.031 -1.469 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.574 2.686 -0.626 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.537 2.772 -2.059 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.693 4.068 -0.377 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.659 4.153 -1.822 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.737 4.808 -0.980 1.00 0.00 C ATOM 278 OH TYR A 19 -3.837 6.152 -0.789 1.00 0.00 O ATOM 0 H TYR A 19 -1.563 -0.641 -0.515 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.230 0.238 0.250 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.403 0.313 -2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.117 0.255 -2.489 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.772 2.125 -0.169 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.249 2.275 -2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.987 4.562 0.274 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.459 4.712 -2.285 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.613 6.495 -1.279 1.00 0.00 H new ATOM 288 N CYS A 20 -3.979 -2.784 -0.466 1.00 0.00 N ATOM 289 CA CYS A 20 -4.714 -4.049 -0.609 1.00 0.00 C ATOM 290 C CYS A 20 -5.655 -4.349 0.573 1.00 0.00 C ATOM 291 O CYS A 20 -5.524 -3.762 1.652 1.00 0.00 O ATOM 292 CB CYS A 20 -3.698 -5.172 -0.791 1.00 0.00 C ATOM 293 SG CYS A 20 -4.369 -6.696 -1.479 1.00 0.00 S ATOM 0 H CYS A 20 -3.033 -2.911 -0.107 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.363 -3.967 -1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.899 -4.817 -1.442 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -3.247 -5.395 0.176 1.00 0.00 H new ATOM 298 N ASN A 21 -6.573 -5.301 0.376 1.00 0.00 N ATOM 299 CA ASN A 21 -7.381 -5.918 1.435 1.00 0.00 C ATOM 300 C ASN A 21 -6.675 -7.147 2.028 1.00 0.00 C ATOM 301 O ASN A 21 -6.355 -8.090 1.273 1.00 0.00 O ATOM 302 CB ASN A 21 -8.779 -6.278 0.883 1.00 0.00 C ATOM 303 CG ASN A 21 -9.623 -5.072 0.503 1.00 0.00 C ATOM 304 OD1 ASN A 21 -10.388 -4.541 1.299 1.00 0.00 O ATOM 305 ND2 ASN A 21 -9.508 -4.597 -0.716 1.00 0.00 N ATOM 306 OXT ASN A 21 -6.407 -7.161 3.249 1.00 0.00 O ATOM 0 H ASN A 21 -6.781 -5.675 -0.550 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.504 -5.201 2.246 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.659 -6.915 0.007 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.315 -6.862 1.631 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.056 -3.785 -1.001 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.871 -5.040 -1.378 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.259 -6.494 -4.127 1.00 0.00 N ATOM 315 CA PHE B 1 11.317 -5.351 -3.991 1.00 0.00 C ATOM 316 C PHE B 1 11.970 -4.056 -4.498 1.00 0.00 C ATOM 317 O PHE B 1 13.192 -3.924 -4.417 1.00 0.00 O ATOM 318 CB PHE B 1 10.815 -5.195 -2.538 1.00 0.00 C ATOM 319 CG PHE B 1 10.139 -6.438 -1.971 1.00 0.00 C ATOM 320 CD1 PHE B 1 8.765 -6.657 -2.180 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.886 -7.369 -1.218 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.139 -7.799 -1.649 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.262 -8.514 -0.690 1.00 0.00 C ATOM 324 CZ PHE B 1 8.888 -8.726 -0.904 1.00 0.00 C ATOM 0 H1 PHE B 1 12.148 -7.134 -3.315 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.053 -7.011 -5.006 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.236 -6.138 -4.155 1.00 0.00 H new ATOM 0 HA PHE B 1 10.444 -5.560 -4.609 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.659 -4.932 -1.901 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.113 -4.363 -2.496 1.00 0.00 H new ATOM 0 HD1 PHE B 1 8.188 -5.945 -2.751 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.939 -7.202 -1.047 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.084 -7.963 -1.813 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.837 -9.229 -0.121 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.408 -9.603 -0.495 1.00 0.00 H new ATOM 336 N VAL B 2 11.193 -3.099 -5.033 1.00 0.00 N ATOM 337 CA VAL B 2 11.689 -1.831 -5.621 1.00 0.00 C ATOM 338 C VAL B 2 10.703 -0.675 -5.409 1.00 0.00 C ATOM 339 O VAL B 2 9.488 -0.858 -5.484 1.00 0.00 O ATOM 340 CB VAL B 2 12.006 -1.934 -7.139 1.00 0.00 C ATOM 341 CG1 VAL B 2 13.265 -2.768 -7.423 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.836 -2.482 -7.980 1.00 0.00 C ATOM 0 H VAL B 2 10.177 -3.182 -5.072 1.00 0.00 H new ATOM 0 HA VAL B 2 12.619 -1.629 -5.089 1.00 0.00 H new ATOM 0 HB VAL B 2 12.184 -0.903 -7.444 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.440 -2.808 -8.498 1.00 0.00 H new ATOM 0 HG12 VAL B 2 14.123 -2.310 -6.932 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.125 -3.779 -7.041 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.131 -2.525 -9.029 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.577 -3.483 -7.634 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.972 -1.826 -7.873 1.00 0.00 H new ATOM 352 N ASN B 3 11.255 0.523 -5.194 1.00 0.00 N ATOM 353 CA ASN B 3 10.548 1.809 -5.158 1.00 0.00 C ATOM 354 C ASN B 3 10.742 2.543 -6.494 1.00 0.00 C ATOM 355 O ASN B 3 11.853 2.600 -7.027 1.00 0.00 O ATOM 356 CB ASN B 3 11.070 2.610 -3.960 1.00 0.00 C ATOM 357 CG ASN B 3 10.318 3.895 -3.636 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.405 4.304 -4.336 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.673 4.565 -2.556 1.00 0.00 N ATOM 0 H ASN B 3 12.257 0.629 -5.032 1.00 0.00 H new ATOM 0 HA ASN B 3 9.475 1.668 -5.031 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.046 1.967 -3.080 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.115 2.860 -4.143 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.185 5.425 -2.306 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.436 4.223 -1.971 1.00 0.00 H new ATOM 366 N GLN B 4 9.651 3.038 -7.070 1.00 0.00 N ATOM 367 CA GLN B 4 9.553 3.404 -8.491 1.00 0.00 C ATOM 368 C GLN B 4 8.549 4.542 -8.757 1.00 0.00 C ATOM 369 O GLN B 4 7.638 4.783 -7.965 1.00 0.00 O ATOM 370 CB GLN B 4 9.116 2.157 -9.300 1.00 0.00 C ATOM 371 CG GLN B 4 10.156 1.028 -9.458 1.00 0.00 C ATOM 372 CD GLN B 4 11.346 1.419 -10.338 1.00 0.00 C ATOM 373 OE1 GLN B 4 11.346 1.236 -11.549 1.00 0.00 O ATOM 374 NE2 GLN B 4 12.403 1.974 -9.783 1.00 0.00 N ATOM 0 H GLN B 4 8.786 3.202 -6.555 1.00 0.00 H new ATOM 0 HA GLN B 4 10.536 3.761 -8.799 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.229 1.738 -8.824 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.818 2.486 -10.296 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.521 0.740 -8.472 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.669 0.152 -9.886 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.425 2.136 -8.776 1.00 0.00 H new ATOM 0 HE22 GLN B 4 13.200 2.242 -10.360 1.00 0.00 H new ATOM 383 N HIS B 5 8.666 5.195 -9.921 1.00 0.00 N ATOM 384 CA HIS B 5 7.553 5.926 -10.536 1.00 0.00 C ATOM 385 C HIS B 5 6.642 4.920 -11.267 1.00 0.00 C ATOM 386 O HIS B 5 7.101 4.186 -12.151 1.00 0.00 O ATOM 387 CB HIS B 5 8.069 6.972 -11.545 1.00 0.00 C ATOM 388 CG HIS B 5 8.700 8.202 -10.944 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.037 9.304 -10.458 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.043 8.476 -10.867 1.00 0.00 C ATOM 391 CE1 HIS B 5 8.955 10.213 -10.088 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.203 9.760 -10.321 1.00 0.00 N ATOM 0 H HIS B 5 9.531 5.231 -10.460 1.00 0.00 H new ATOM 0 HA HIS B 5 6.999 6.447 -9.755 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.800 6.492 -12.196 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.236 7.284 -12.175 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.025 9.413 -10.390 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.841 7.816 -11.174 1.00 0.00 H new ATOM 0 HE1 HIS B 5 8.724 11.178 -9.661 1.00 0.00 H new ATOM 400 N LEU B 6 5.356 4.897 -10.922 1.00 0.00 N ATOM 401 CA LEU B 6 4.321 4.049 -11.510 1.00 0.00 C ATOM 402 C LEU B 6 3.039 4.881 -11.691 1.00 0.00 C ATOM 403 O LEU B 6 2.560 5.506 -10.745 1.00 0.00 O ATOM 404 CB LEU B 6 4.074 2.842 -10.582 1.00 0.00 C ATOM 405 CG LEU B 6 5.222 1.812 -10.478 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.912 0.814 -9.353 1.00 0.00 C ATOM 407 CD2 LEU B 6 5.422 1.044 -11.794 1.00 0.00 C ATOM 0 H LEU B 6 4.989 5.501 -10.186 1.00 0.00 H new ATOM 0 HA LEU B 6 4.635 3.677 -12.485 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.860 3.218 -9.582 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.179 2.323 -10.926 1.00 0.00 H new ATOM 0 HG LEU B 6 6.141 2.357 -10.263 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.721 0.087 -9.278 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.817 1.349 -8.408 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.978 0.297 -9.573 1.00 0.00 H new ATOM 0 HD21 LEU B 6 6.238 0.330 -11.678 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.506 0.510 -12.047 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.664 1.746 -12.592 1.00 0.00 H new ATOM 419 N CYS B 7 2.481 4.885 -12.904 1.00 0.00 N ATOM 420 CA CYS B 7 1.340 5.720 -13.303 1.00 0.00 C ATOM 421 C CYS B 7 0.278 4.889 -14.037 1.00 0.00 C ATOM 422 O CYS B 7 0.613 3.992 -14.817 1.00 0.00 O ATOM 423 CB CYS B 7 1.844 6.835 -14.232 1.00 0.00 C ATOM 424 SG CYS B 7 3.114 7.949 -13.557 1.00 0.00 S ATOM 0 H CYS B 7 2.819 4.290 -13.660 1.00 0.00 H new ATOM 0 HA CYS B 7 0.884 6.144 -12.408 1.00 0.00 H new ATOM 0 HB2 CYS B 7 2.243 6.372 -15.134 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.988 7.438 -14.535 1.00 0.00 H new ATOM 429 N GLY B 8 -0.998 5.211 -13.816 1.00 0.00 N ATOM 430 CA GLY B 8 -2.136 4.743 -14.622 1.00 0.00 C ATOM 431 C GLY B 8 -2.191 3.226 -14.787 1.00 0.00 C ATOM 432 O GLY B 8 -2.193 2.477 -13.809 1.00 0.00 O ATOM 0 H GLY B 8 -1.280 5.822 -13.050 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.062 5.083 -14.158 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.085 5.205 -15.608 1.00 0.00 H new ATOM 436 N SER B 9 -2.210 2.760 -16.032 1.00 0.00 N ATOM 437 CA SER B 9 -2.282 1.333 -16.373 1.00 0.00 C ATOM 438 C SER B 9 -1.082 0.536 -15.843 1.00 0.00 C ATOM 439 O SER B 9 -1.241 -0.608 -15.428 1.00 0.00 O ATOM 440 CB SER B 9 -2.369 1.169 -17.899 1.00 0.00 C ATOM 441 OG SER B 9 -3.453 1.923 -18.438 1.00 0.00 O ATOM 0 H SER B 9 -2.175 3.369 -16.850 1.00 0.00 H new ATOM 0 HA SER B 9 -3.176 0.934 -15.894 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.434 1.493 -18.356 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.496 0.115 -18.147 1.00 0.00 H new ATOM 0 HG SER B 9 -3.484 1.802 -19.410 1.00 0.00 H new ATOM 447 N HIS B 10 0.110 1.138 -15.775 1.00 0.00 N ATOM 448 CA HIS B 10 1.303 0.492 -15.219 1.00 0.00 C ATOM 449 C HIS B 10 1.236 0.391 -13.684 1.00 0.00 C ATOM 450 O HIS B 10 1.645 -0.622 -13.113 1.00 0.00 O ATOM 451 CB HIS B 10 2.547 1.265 -15.683 1.00 0.00 C ATOM 452 CG HIS B 10 2.734 1.268 -17.182 1.00 0.00 C ATOM 453 ND1 HIS B 10 3.161 0.213 -17.956 1.00 0.00 N ATOM 454 CD2 HIS B 10 2.493 2.317 -18.029 1.00 0.00 C ATOM 455 CE1 HIS B 10 3.175 0.615 -19.239 1.00 0.00 C ATOM 456 NE2 HIS B 10 2.772 1.898 -19.337 1.00 0.00 N ATOM 0 H HIS B 10 0.275 2.089 -16.105 1.00 0.00 H new ATOM 0 HA HIS B 10 1.358 -0.532 -15.587 1.00 0.00 H new ATOM 0 HB2 HIS B 10 2.476 2.295 -15.332 1.00 0.00 H new ATOM 0 HB3 HIS B 10 3.430 0.829 -15.216 1.00 0.00 H new ATOM 0 HD2 HIS B 10 2.147 3.298 -17.739 1.00 0.00 H new ATOM 0 HE1 HIS B 10 3.468 -0.003 -20.074 1.00 0.00 H new ATOM 0 HE2 HIS B 10 2.687 2.451 -20.190 1.00 0.00 H new ATOM 464 N LEU B 11 0.652 1.397 -13.016 1.00 0.00 N ATOM 465 CA LEU B 11 0.341 1.340 -11.585 1.00 0.00 C ATOM 466 C LEU B 11 -0.703 0.254 -11.300 1.00 0.00 C ATOM 467 O LEU B 11 -0.485 -0.560 -10.408 1.00 0.00 O ATOM 468 CB LEU B 11 -0.105 2.736 -11.100 1.00 0.00 C ATOM 469 CG LEU B 11 -0.438 2.830 -9.597 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.755 2.468 -8.706 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.887 4.259 -9.269 1.00 0.00 C ATOM 0 H LEU B 11 0.382 2.276 -13.458 1.00 0.00 H new ATOM 0 HA LEU B 11 1.234 1.063 -11.024 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.685 3.452 -11.327 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.983 3.039 -11.671 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.232 2.112 -9.394 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.465 2.551 -7.659 1.00 0.00 H new ATOM 0 HD12 LEU B 11 1.069 1.445 -8.916 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.581 3.150 -8.909 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.124 4.331 -8.207 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.085 4.957 -9.510 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.772 4.506 -9.856 1.00 0.00 H new ATOM 483 N VAL B 12 -1.788 0.200 -12.079 1.00 0.00 N ATOM 484 CA VAL B 12 -2.821 -0.849 -11.959 1.00 0.00 C ATOM 485 C VAL B 12 -2.236 -2.246 -12.207 1.00 0.00 C ATOM 486 O VAL B 12 -2.562 -3.173 -11.470 1.00 0.00 O ATOM 487 CB VAL B 12 -4.030 -0.582 -12.893 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.031 -1.753 -12.929 1.00 0.00 C ATOM 489 CG2 VAL B 12 -4.796 0.669 -12.436 1.00 0.00 C ATOM 0 H VAL B 12 -1.981 0.881 -12.814 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.187 -0.815 -10.933 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.611 -0.448 -13.890 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.855 -1.507 -13.599 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.528 -2.651 -13.287 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.420 -1.930 -11.926 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.641 0.842 -13.102 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.160 0.522 -11.419 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.131 1.532 -12.462 1.00 0.00 H new ATOM 499 N GLU B 13 -1.352 -2.398 -13.198 1.00 0.00 N ATOM 500 CA GLU B 13 -0.680 -3.665 -13.497 1.00 0.00 C ATOM 501 C GLU B 13 0.210 -4.116 -12.332 1.00 0.00 C ATOM 502 O GLU B 13 0.104 -5.260 -11.889 1.00 0.00 O ATOM 503 CB GLU B 13 0.142 -3.504 -14.785 1.00 0.00 C ATOM 504 CG GLU B 13 0.816 -4.805 -15.239 1.00 0.00 C ATOM 505 CD GLU B 13 1.488 -4.617 -16.609 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.574 -3.993 -16.677 1.00 0.00 O ATOM 507 OE2 GLU B 13 0.940 -5.104 -17.626 1.00 0.00 O ATOM 0 H GLU B 13 -1.081 -1.637 -13.821 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.433 -4.440 -13.641 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.509 -3.143 -15.581 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.906 -2.742 -14.628 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.559 -5.112 -14.503 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.076 -5.603 -15.297 1.00 0.00 H new ATOM 514 N ALA B 14 1.044 -3.226 -11.796 1.00 0.00 N ATOM 515 CA ALA B 14 1.908 -3.528 -10.654 1.00 0.00 C ATOM 516 C ALA B 14 1.093 -3.891 -9.397 1.00 0.00 C ATOM 517 O ALA B 14 1.355 -4.897 -8.734 1.00 0.00 O ATOM 518 CB ALA B 14 2.828 -2.324 -10.417 1.00 0.00 C ATOM 0 H ALA B 14 1.140 -2.271 -12.142 1.00 0.00 H new ATOM 0 HA ALA B 14 2.512 -4.408 -10.875 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.482 -2.527 -9.569 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.432 -2.147 -11.307 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.225 -1.441 -10.207 1.00 0.00 H new ATOM 524 N LEU B 15 0.054 -3.107 -9.101 1.00 0.00 N ATOM 525 CA LEU B 15 -0.855 -3.307 -7.972 1.00 0.00 C ATOM 526 C LEU B 15 -1.576 -4.663 -8.064 1.00 0.00 C ATOM 527 O LEU B 15 -1.607 -5.422 -7.095 1.00 0.00 O ATOM 528 CB LEU B 15 -1.800 -2.092 -7.973 1.00 0.00 C ATOM 529 CG LEU B 15 -2.818 -2.002 -6.831 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.184 -2.061 -5.439 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.586 -0.681 -6.972 1.00 0.00 C ATOM 0 H LEU B 15 -0.185 -2.288 -9.660 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.327 -3.358 -7.020 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.190 -1.189 -7.955 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.347 -2.089 -8.916 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.474 -2.869 -6.913 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.964 -1.992 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.648 -3.003 -5.323 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.488 -1.230 -5.321 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -4.317 -0.597 -6.168 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.887 0.154 -6.916 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -4.100 -0.660 -7.933 1.00 0.00 H new ATOM 543 N TYR B 16 -2.054 -5.023 -9.257 1.00 0.00 N ATOM 544 CA TYR B 16 -2.621 -6.344 -9.551 1.00 0.00 C ATOM 545 C TYR B 16 -1.592 -7.489 -9.441 1.00 0.00 C ATOM 546 O TYR B 16 -1.933 -8.582 -8.989 1.00 0.00 O ATOM 547 CB TYR B 16 -3.271 -6.301 -10.942 1.00 0.00 C ATOM 548 CG TYR B 16 -3.930 -7.600 -11.368 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.278 -7.850 -11.036 1.00 0.00 C ATOM 550 CD2 TYR B 16 -3.190 -8.571 -12.074 1.00 0.00 C ATOM 551 CE1 TYR B 16 -5.881 -9.070 -11.392 1.00 0.00 C ATOM 552 CE2 TYR B 16 -3.788 -9.795 -12.430 1.00 0.00 C ATOM 553 CZ TYR B 16 -5.135 -10.050 -12.091 1.00 0.00 C ATOM 554 OH TYR B 16 -5.710 -11.236 -12.433 1.00 0.00 O ATOM 0 H TYR B 16 -2.059 -4.395 -10.061 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.373 -6.567 -8.794 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.018 -5.507 -10.956 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.511 -6.036 -11.677 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.849 -7.102 -10.506 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.162 -8.375 -12.342 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.912 -9.259 -11.132 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.216 -10.540 -12.963 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.057 -11.791 -12.909 1.00 0.00 H new ATOM 564 N LEU B 17 -0.325 -7.252 -9.786 1.00 0.00 N ATOM 565 CA LEU B 17 0.747 -8.250 -9.644 1.00 0.00 C ATOM 566 C LEU B 17 1.189 -8.458 -8.188 1.00 0.00 C ATOM 567 O LEU B 17 1.535 -9.582 -7.818 1.00 0.00 O ATOM 568 CB LEU B 17 1.937 -7.873 -10.548 1.00 0.00 C ATOM 569 CG LEU B 17 1.698 -8.122 -12.052 1.00 0.00 C ATOM 570 CD1 LEU B 17 2.821 -7.459 -12.863 1.00 0.00 C ATOM 571 CD2 LEU B 17 1.650 -9.621 -12.392 1.00 0.00 C ATOM 0 H LEU B 17 -0.009 -6.363 -10.173 1.00 0.00 H new ATOM 0 HA LEU B 17 0.343 -9.210 -9.967 1.00 0.00 H new ATOM 0 HB2 LEU B 17 2.171 -6.819 -10.399 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.812 -8.441 -10.232 1.00 0.00 H new ATOM 0 HG LEU B 17 0.730 -7.690 -12.307 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.654 -7.634 -13.926 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.826 -6.387 -12.668 1.00 0.00 H new ATOM 0 HD13 LEU B 17 3.781 -7.885 -12.572 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.480 -9.746 -13.461 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.597 -10.087 -12.118 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.839 -10.094 -11.838 1.00 0.00 H new ATOM 583 N VAL B 18 1.130 -7.419 -7.353 1.00 0.00 N ATOM 584 CA VAL B 18 1.377 -7.540 -5.899 1.00 0.00 C ATOM 585 C VAL B 18 0.209 -8.236 -5.197 1.00 0.00 C ATOM 586 O VAL B 18 0.441 -9.094 -4.346 1.00 0.00 O ATOM 587 CB VAL B 18 1.637 -6.169 -5.229 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.765 -6.235 -3.695 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.940 -5.549 -5.761 1.00 0.00 C ATOM 0 H VAL B 18 0.911 -6.470 -7.655 1.00 0.00 H new ATOM 0 HA VAL B 18 2.277 -8.145 -5.792 1.00 0.00 H new ATOM 0 HB VAL B 18 0.763 -5.567 -5.478 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.946 -5.235 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.843 -6.631 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.597 -6.886 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.108 -4.586 -5.280 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.775 -6.214 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.862 -5.407 -6.839 1.00 0.00 H new ATOM 599 N CYS B 19 -1.038 -7.867 -5.533 1.00 0.00 N ATOM 600 CA CYS B 19 -2.190 -8.169 -4.666 1.00 0.00 C ATOM 601 C CYS B 19 -3.542 -8.418 -5.359 1.00 0.00 C ATOM 602 O CYS B 19 -4.576 -8.484 -4.695 1.00 0.00 O ATOM 603 CB CYS B 19 -2.322 -7.050 -3.625 1.00 0.00 C ATOM 604 SG CYS B 19 -2.687 -7.698 -1.977 1.00 0.00 S ATOM 0 H CYS B 19 -1.273 -7.365 -6.389 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.962 -9.135 -4.216 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -1.397 -6.475 -3.592 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -3.113 -6.364 -3.928 1.00 0.00 H new ATOM 609 N GLY B 20 -3.570 -8.572 -6.687 1.00 0.00 N ATOM 610 CA GLY B 20 -4.810 -8.643 -7.484 1.00 0.00 C ATOM 611 C GLY B 20 -5.718 -9.844 -7.186 1.00 0.00 C ATOM 612 O GLY B 20 -6.928 -9.751 -7.387 1.00 0.00 O ATOM 0 H GLY B 20 -2.724 -8.652 -7.251 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -5.380 -7.729 -7.319 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -4.542 -8.665 -8.540 1.00 0.00 H new ATOM 616 N GLU B 21 -5.166 -10.937 -6.651 1.00 0.00 N ATOM 617 CA GLU B 21 -5.937 -12.103 -6.188 1.00 0.00 C ATOM 618 C GLU B 21 -6.692 -11.863 -4.863 1.00 0.00 C ATOM 619 O GLU B 21 -7.691 -12.537 -4.599 1.00 0.00 O ATOM 620 CB GLU B 21 -5.015 -13.335 -6.098 1.00 0.00 C ATOM 621 CG GLU B 21 -3.901 -13.239 -5.043 1.00 0.00 C ATOM 622 CD GLU B 21 -3.018 -14.496 -5.072 1.00 0.00 C ATOM 623 OE1 GLU B 21 -3.326 -15.473 -4.349 1.00 0.00 O ATOM 624 OE2 GLU B 21 -2.010 -14.515 -5.819 1.00 0.00 O ATOM 0 H GLU B 21 -4.159 -11.042 -6.524 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.715 -12.285 -6.929 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -5.626 -14.211 -5.881 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.557 -13.499 -7.074 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.291 -12.355 -5.230 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.340 -13.119 -4.053 1.00 0.00 H new ATOM 631 N ARG B 22 -6.247 -10.890 -4.055 1.00 0.00 N ATOM 632 CA ARG B 22 -6.919 -10.421 -2.830 1.00 0.00 C ATOM 633 C ARG B 22 -7.825 -9.208 -3.103 1.00 0.00 C ATOM 634 O ARG B 22 -8.917 -9.105 -2.538 1.00 0.00 O ATOM 635 CB ARG B 22 -5.859 -10.042 -1.786 1.00 0.00 C ATOM 636 CG ARG B 22 -5.170 -11.269 -1.169 1.00 0.00 C ATOM 637 CD ARG B 22 -3.965 -10.901 -0.295 1.00 0.00 C ATOM 638 NE ARG B 22 -4.332 -10.038 0.844 1.00 0.00 N ATOM 639 CZ ARG B 22 -3.725 -9.961 2.023 1.00 0.00 C ATOM 640 NH1 ARG B 22 -2.656 -10.672 2.316 1.00 0.00 N ATOM 641 NH2 ARG B 22 -4.208 -9.148 2.933 1.00 0.00 N ATOM 0 H ARG B 22 -5.378 -10.389 -4.241 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.548 -11.230 -2.459 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -5.108 -9.404 -2.252 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -6.327 -9.457 -0.994 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.893 -11.821 -0.568 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.843 -11.935 -1.967 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -3.501 -11.813 0.080 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -3.220 -10.392 -0.906 1.00 0.00 H new ATOM 0 HE ARG B 22 -5.142 -9.433 0.711 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.264 -11.312 1.625 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -2.220 -10.583 3.234 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -5.036 -8.589 2.729 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -3.755 -9.076 3.844 1.00 0.00 H new ATOM 655 N GLY B 23 -7.388 -8.312 -3.998 1.00 0.00 N ATOM 656 CA GLY B 23 -8.116 -7.126 -4.457 1.00 0.00 C ATOM 657 C GLY B 23 -7.758 -5.868 -3.668 1.00 0.00 C ATOM 658 O GLY B 23 -7.554 -5.904 -2.453 1.00 0.00 O ATOM 0 H GLY B 23 -6.474 -8.400 -4.441 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -7.902 -6.960 -5.513 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.187 -7.309 -4.374 1.00 0.00 H new ATOM 662 N PHE B 24 -7.687 -4.741 -4.379 1.00 0.00 N ATOM 663 CA PHE B 24 -7.105 -3.482 -3.907 1.00 0.00 C ATOM 664 C PHE B 24 -8.034 -2.264 -4.051 1.00 0.00 C ATOM 665 O PHE B 24 -8.967 -2.250 -4.856 1.00 0.00 O ATOM 666 CB PHE B 24 -5.800 -3.259 -4.686 1.00 0.00 C ATOM 667 CG PHE B 24 -5.948 -3.382 -6.197 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.438 -2.303 -6.959 1.00 0.00 C ATOM 669 CD2 PHE B 24 -5.600 -4.588 -6.843 1.00 0.00 C ATOM 670 CE1 PHE B 24 -6.565 -2.420 -8.356 1.00 0.00 C ATOM 671 CE2 PHE B 24 -5.734 -4.703 -8.237 1.00 0.00 C ATOM 672 CZ PHE B 24 -6.211 -3.621 -8.996 1.00 0.00 C ATOM 0 H PHE B 24 -8.045 -4.677 -5.332 1.00 0.00 H new ATOM 0 HA PHE B 24 -6.929 -3.572 -2.835 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.413 -2.268 -4.449 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.058 -3.981 -4.345 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.717 -1.382 -6.469 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -5.231 -5.423 -6.266 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.934 -1.587 -8.936 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -5.469 -5.628 -8.728 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.305 -3.712 -10.068 1.00 0.00 H new ATOM 682 N PHE B 25 -7.726 -1.223 -3.272 1.00 0.00 N ATOM 683 CA PHE B 25 -8.224 0.144 -3.426 1.00 0.00 C ATOM 684 C PHE B 25 -7.289 0.961 -4.340 1.00 0.00 C ATOM 685 O PHE B 25 -6.122 0.620 -4.520 1.00 0.00 O ATOM 686 CB PHE B 25 -8.358 0.762 -2.024 1.00 0.00 C ATOM 687 CG PHE B 25 -8.909 2.178 -1.980 1.00 0.00 C ATOM 688 CD1 PHE B 25 -10.169 2.471 -2.547 1.00 0.00 C ATOM 689 CD2 PHE B 25 -8.174 3.208 -1.361 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.678 3.780 -2.506 1.00 0.00 C ATOM 691 CE2 PHE B 25 -8.690 4.516 -1.311 1.00 0.00 C ATOM 692 CZ PHE B 25 -9.939 4.803 -1.887 1.00 0.00 C ATOM 0 H PHE B 25 -7.092 -1.317 -2.479 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.202 0.147 -3.908 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.004 0.121 -1.424 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.377 0.758 -1.550 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.744 1.685 -3.014 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.211 2.993 -0.923 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.637 4.000 -2.950 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.125 5.300 -0.829 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.331 5.809 -1.854 1.00 0.00 H new ATOM 702 N TYR B 26 -7.801 2.049 -4.917 1.00 0.00 N ATOM 703 CA TYR B 26 -7.137 2.850 -5.956 1.00 0.00 C ATOM 704 C TYR B 26 -7.776 4.249 -6.070 1.00 0.00 C ATOM 705 O TYR B 26 -8.995 4.347 -6.236 1.00 0.00 O ATOM 706 CB TYR B 26 -7.228 2.075 -7.284 1.00 0.00 C ATOM 707 CG TYR B 26 -6.535 2.708 -8.475 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.184 2.410 -8.738 1.00 0.00 C ATOM 709 CD2 TYR B 26 -7.252 3.540 -9.359 1.00 0.00 C ATOM 710 CE1 TYR B 26 -4.558 2.916 -9.891 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.629 4.063 -10.508 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.279 3.749 -10.780 1.00 0.00 C ATOM 713 OH TYR B 26 -4.678 4.256 -11.894 1.00 0.00 O ATOM 0 H TYR B 26 -8.721 2.412 -4.668 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.090 3.009 -5.696 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.807 1.081 -7.131 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.281 1.941 -7.531 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.626 1.790 -8.051 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -8.285 3.778 -9.153 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.527 2.669 -10.098 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.182 4.703 -11.180 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.320 4.805 -12.391 1.00 0.00 H new ATOM 723 N THR B 27 -6.967 5.319 -5.982 1.00 0.00 N ATOM 724 CA THR B 27 -7.416 6.731 -6.004 1.00 0.00 C ATOM 725 C THR B 27 -6.243 7.724 -6.132 1.00 0.00 C ATOM 726 O THR B 27 -5.160 7.445 -5.601 1.00 0.00 O ATOM 727 CB THR B 27 -8.278 7.060 -4.771 1.00 0.00 C ATOM 728 OG1 THR B 27 -8.803 8.355 -4.927 1.00 0.00 O ATOM 729 CG2 THR B 27 -7.505 7.013 -3.451 1.00 0.00 C ATOM 0 H THR B 27 -5.955 5.228 -5.891 1.00 0.00 H new ATOM 0 HA THR B 27 -8.030 6.847 -6.897 1.00 0.00 H new ATOM 0 HB THR B 27 -9.056 6.299 -4.716 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.726 8.843 -4.081 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.176 7.255 -2.627 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.096 6.013 -3.304 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.691 7.737 -3.480 1.00 0.00 H new ATOM 737 N PRO B 28 -6.430 8.889 -6.788 1.00 0.00 N ATOM 738 CA PRO B 28 -5.521 10.023 -6.678 1.00 0.00 C ATOM 739 C PRO B 28 -5.718 10.820 -5.385 1.00 0.00 C ATOM 740 O PRO B 28 -4.772 11.444 -4.909 1.00 0.00 O ATOM 741 CB PRO B 28 -5.814 10.883 -7.912 1.00 0.00 C ATOM 742 CG PRO B 28 -7.300 10.638 -8.169 1.00 0.00 C ATOM 743 CD PRO B 28 -7.481 9.178 -7.760 1.00 0.00 C ATOM 0 HA PRO B 28 -4.484 9.689 -6.638 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.607 11.937 -7.726 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -5.204 10.584 -8.764 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -7.928 11.304 -7.577 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -7.561 10.800 -9.215 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -8.467 9.016 -7.325 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -7.402 8.520 -8.625 1.00 0.00 H new ATOM 751 N LYS B 29 -6.920 10.797 -4.801 1.00 0.00 N ATOM 752 CA LYS B 29 -7.363 11.750 -3.780 1.00 0.00 C ATOM 753 C LYS B 29 -7.713 11.055 -2.449 1.00 0.00 C ATOM 754 O LYS B 29 -8.519 10.119 -2.411 1.00 0.00 O ATOM 755 CB LYS B 29 -8.543 12.520 -4.387 1.00 0.00 C ATOM 756 CG LYS B 29 -9.015 13.676 -3.491 1.00 0.00 C ATOM 757 CD LYS B 29 -10.137 14.473 -4.168 1.00 0.00 C ATOM 758 CE LYS B 29 -10.566 15.640 -3.269 1.00 0.00 C ATOM 759 NZ LYS B 29 -11.653 16.439 -3.888 1.00 0.00 N ATOM 0 H LYS B 29 -7.628 10.099 -5.031 1.00 0.00 H new ATOM 0 HA LYS B 29 -6.563 12.441 -3.516 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -8.253 12.915 -5.361 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -9.373 11.833 -4.556 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -9.368 13.282 -2.538 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -8.176 14.337 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -9.795 14.852 -5.131 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.989 13.822 -4.365 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.901 15.254 -2.306 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -9.708 16.283 -3.073 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -11.916 17.218 -3.252 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.325 16.828 -4.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -12.481 15.831 -4.052 1.00 0.00 H new ATOM 773 N THR B 30 -7.089 11.521 -1.361 1.00 0.00 N ATOM 774 CA THR B 30 -7.167 10.933 -0.006 1.00 0.00 C ATOM 775 C THR B 30 -8.509 11.219 0.679 1.00 0.00 C ATOM 776 O THR B 30 -9.142 10.260 1.180 1.00 0.00 O ATOM 777 CB THR B 30 -6.011 11.433 0.865 1.00 0.00 C ATOM 778 OG1 THR B 30 -4.804 11.334 0.136 1.00 0.00 O ATOM 779 CG2 THR B 30 -5.846 10.609 2.144 1.00 0.00 C ATOM 780 OXT THR B 30 -8.940 12.393 0.704 1.00 0.00 O ATOM 0 H THR B 30 -6.493 12.348 -1.394 1.00 0.00 H new ATOM 0 HA THR B 30 -7.087 9.852 -0.124 1.00 0.00 H new ATOM 0 HB THR B 30 -6.239 12.463 1.139 1.00 0.00 H new ATOM 0 HG1 THR B 30 -4.651 12.166 -0.358 1.00 0.00 H new ATOM 0 HG21 THR B 30 -5.013 11.004 2.726 1.00 0.00 H new ATOM 0 HG22 THR B 30 -6.761 10.666 2.734 1.00 0.00 H new ATOM 0 HG23 THR B 30 -5.646 9.570 1.884 1.00 0.00 H new TER 788 THR B 30