USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 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 12 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 1 GLY N :NH3+ -160:sc= 1.64 (180deg=0.485) USER MOD Set 2.2: A 5 GLN : amide:sc= 0.68 K(o=2.3,f=-5.5!) USER MOD Single : A 8 THR OG1 : rot 120:sc= 1.03 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00437 USER MOD Single : A 15 GLN : amide:sc= 1.53 K(o=1.5,f=-3.4!) USER MOD Single : A 18 ASN : amide:sc= 0.742 K(o=0.74,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc=-0.000464 K(o=-0.00046,f=-1.1) USER MOD Single : B 1 PHE N :NH3+ -156:sc= 0.213 (180deg=-0.0414) USER MOD Single : B 3 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.071) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.11) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-0.64) USER MOD Single : B 26 TYR OH : rot 166:sc= 0 USER MOD Single : B 27 THR OG1 : rot 49:sc= 0.00113 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.461 5.512 -1.480 1.00 0.00 N ATOM 2 CA GLY A 1 -10.008 4.223 -0.910 1.00 0.00 C ATOM 3 C GLY A 1 -8.608 3.857 -1.381 1.00 0.00 C ATOM 4 O GLY A 1 -8.161 4.332 -2.423 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.236 5.894 -0.902 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.669 6.186 -1.486 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.796 5.363 -2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.021 4.282 0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.705 3.435 -1.195 1.00 0.00 H new ATOM 10 N ILE A 2 -7.894 3.009 -0.629 1.00 0.00 N ATOM 11 CA ILE A 2 -6.444 2.767 -0.809 1.00 0.00 C ATOM 12 C ILE A 2 -6.054 2.333 -2.231 1.00 0.00 C ATOM 13 O ILE A 2 -5.302 3.050 -2.885 1.00 0.00 O ATOM 14 CB ILE A 2 -5.899 1.832 0.301 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.357 1.787 0.228 1.00 0.00 C ATOM 16 CG2 ILE A 2 -6.517 0.418 0.298 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.712 0.869 1.268 1.00 0.00 C ATOM 0 H ILE A 2 -8.304 2.464 0.130 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.946 3.729 -0.692 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.206 2.259 1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.060 1.457 -0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.968 2.797 0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.081 -0.171 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.595 0.492 0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.312 -0.067 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.628 0.892 1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.977 1.210 2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.071 -0.150 1.126 1.00 0.00 H new ATOM 29 N VAL A 3 -6.575 1.216 -2.744 1.00 0.00 N ATOM 30 CA VAL A 3 -6.203 0.704 -4.081 1.00 0.00 C ATOM 31 C VAL A 3 -6.791 1.566 -5.211 1.00 0.00 C ATOM 32 O VAL A 3 -6.155 1.734 -6.247 1.00 0.00 O ATOM 33 CB VAL A 3 -6.544 -0.797 -4.240 1.00 0.00 C ATOM 34 CG1 VAL A 3 -8.055 -1.080 -4.293 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.849 -1.412 -5.466 1.00 0.00 C ATOM 0 H VAL A 3 -7.261 0.640 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.119 0.784 -4.165 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.161 -1.274 -3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.221 -2.151 -4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.522 -0.735 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.494 -0.554 -5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.113 -2.467 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.172 -0.890 -6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.769 -1.316 -5.358 1.00 0.00 H new ATOM 45 N GLU A 4 -7.955 2.186 -4.989 1.00 0.00 N ATOM 46 CA GLU A 4 -8.559 3.174 -5.896 1.00 0.00 C ATOM 47 C GLU A 4 -7.634 4.391 -6.106 1.00 0.00 C ATOM 48 O GLU A 4 -7.573 4.939 -7.207 1.00 0.00 O ATOM 49 CB GLU A 4 -9.919 3.576 -5.299 1.00 0.00 C ATOM 50 CG GLU A 4 -10.646 4.733 -5.997 1.00 0.00 C ATOM 51 CD GLU A 4 -11.914 5.113 -5.216 1.00 0.00 C ATOM 52 OE1 GLU A 4 -11.789 5.541 -4.042 1.00 0.00 O1- ATOM 53 OE2 GLU A 4 -13.033 4.988 -5.765 1.00 0.00 O ATOM 0 H GLU A 4 -8.518 2.013 -4.156 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.703 2.743 -6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.571 2.703 -5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.769 3.846 -4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.984 5.596 -6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.910 4.445 -7.015 1.00 0.00 H new ATOM 60 N GLN A 5 -6.885 4.790 -5.073 1.00 0.00 N ATOM 61 CA GLN A 5 -5.905 5.876 -5.128 1.00 0.00 C ATOM 62 C GLN A 5 -4.548 5.372 -5.640 1.00 0.00 C ATOM 63 O GLN A 5 -4.059 5.875 -6.649 1.00 0.00 O ATOM 64 CB GLN A 5 -5.792 6.516 -3.732 1.00 0.00 C ATOM 65 CG GLN A 5 -7.054 7.328 -3.376 1.00 0.00 C ATOM 66 CD GLN A 5 -7.158 7.650 -1.883 1.00 0.00 C ATOM 67 OE1 GLN A 5 -8.093 7.243 -1.199 1.00 0.00 O ATOM 68 NE2 GLN A 5 -6.223 8.383 -1.314 1.00 0.00 N ATOM 0 H GLN A 5 -6.946 4.355 -4.153 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.239 6.635 -5.836 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.637 5.737 -2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.918 7.167 -3.699 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.052 8.259 -3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.938 6.769 -3.684 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.439 8.729 -1.867 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.283 8.604 -0.320 1.00 0.00 H new ATOM 77 N CYS A 6 -3.933 4.372 -4.999 1.00 0.00 N ATOM 78 CA CYS A 6 -2.557 3.952 -5.309 1.00 0.00 C ATOM 79 C CYS A 6 -2.399 3.288 -6.686 1.00 0.00 C ATOM 80 O CYS A 6 -1.335 3.386 -7.298 1.00 0.00 O ATOM 81 CB CYS A 6 -2.041 3.021 -4.207 1.00 0.00 C ATOM 82 SG CYS A 6 -2.042 3.691 -2.519 1.00 0.00 S ATOM 0 H CYS A 6 -4.371 3.831 -4.253 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.959 4.862 -5.350 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.645 2.114 -4.215 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.022 2.727 -4.457 1.00 0.00 H new ATOM 87 N CYS A 7 -3.445 2.648 -7.220 1.00 0.00 N ATOM 88 CA CYS A 7 -3.433 2.075 -8.577 1.00 0.00 C ATOM 89 C CYS A 7 -3.612 3.150 -9.677 1.00 0.00 C ATOM 90 O CYS A 7 -3.430 2.854 -10.863 1.00 0.00 O ATOM 91 CB CYS A 7 -4.507 0.977 -8.652 1.00 0.00 C ATOM 92 SG CYS A 7 -4.236 -0.360 -9.848 1.00 0.00 S ATOM 0 H CYS A 7 -4.326 2.511 -6.725 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.454 1.636 -8.770 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.605 0.531 -7.662 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.461 1.451 -8.884 1.00 0.00 H new ATOM 97 N THR A 8 -3.956 4.390 -9.285 1.00 0.00 N ATOM 98 CA THR A 8 -4.278 5.535 -10.162 1.00 0.00 C ATOM 99 C THR A 8 -3.253 6.668 -10.044 1.00 0.00 C ATOM 100 O THR A 8 -2.991 7.360 -11.026 1.00 0.00 O ATOM 101 CB THR A 8 -5.679 6.057 -9.801 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.596 4.984 -9.837 1.00 0.00 O ATOM 103 CG2 THR A 8 -6.195 7.125 -10.769 1.00 0.00 C ATOM 0 H THR A 8 -4.021 4.635 -8.297 1.00 0.00 H new ATOM 0 HA THR A 8 -4.250 5.188 -11.195 1.00 0.00 H new ATOM 0 HB THR A 8 -5.595 6.503 -8.810 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.005 4.873 -8.953 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.188 7.450 -10.457 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.516 7.978 -10.765 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.249 6.709 -11.775 1.00 0.00 H new ATOM 111 N SER A 9 -2.663 6.861 -8.866 1.00 0.00 N ATOM 112 CA SER A 9 -1.701 7.926 -8.549 1.00 0.00 C ATOM 113 C SER A 9 -0.584 7.445 -7.595 1.00 0.00 C ATOM 114 O SER A 9 -0.597 6.309 -7.113 1.00 0.00 O ATOM 115 CB SER A 9 -2.457 9.115 -7.936 1.00 0.00 C ATOM 116 OG SER A 9 -1.670 10.300 -8.004 1.00 0.00 O ATOM 0 H SER A 9 -2.848 6.254 -8.067 1.00 0.00 H new ATOM 0 HA SER A 9 -1.211 8.229 -9.474 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.398 9.266 -8.465 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.707 8.897 -6.898 1.00 0.00 H new ATOM 0 HG SER A 9 -2.168 11.047 -7.611 1.00 0.00 H new ATOM 122 N ILE A 10 0.394 8.309 -7.295 1.00 0.00 N ATOM 123 CA ILE A 10 1.528 7.992 -6.406 1.00 0.00 C ATOM 124 C ILE A 10 1.051 7.735 -4.968 1.00 0.00 C ATOM 125 O ILE A 10 0.314 8.546 -4.397 1.00 0.00 O ATOM 126 CB ILE A 10 2.593 9.120 -6.423 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.143 9.433 -7.835 1.00 0.00 C ATOM 128 CG2 ILE A 10 3.755 8.816 -5.451 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.919 8.289 -8.498 1.00 0.00 C ATOM 0 H ILE A 10 0.424 9.259 -7.665 1.00 0.00 H new ATOM 0 HA ILE A 10 1.990 7.080 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 10 2.071 10.015 -6.085 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.309 9.708 -8.480 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.795 10.304 -7.769 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.482 9.627 -5.489 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.366 8.724 -4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.237 7.882 -5.741 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.263 8.605 -9.483 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.778 8.026 -7.881 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.268 7.421 -8.603 1.00 0.00 H new ATOM 141 N CYS A 11 1.545 6.653 -4.360 1.00 0.00 N ATOM 142 CA CYS A 11 1.470 6.416 -2.913 1.00 0.00 C ATOM 143 C CYS A 11 2.874 6.316 -2.306 1.00 0.00 C ATOM 144 O CYS A 11 3.588 5.331 -2.493 1.00 0.00 O ATOM 145 CB CYS A 11 0.617 5.174 -2.631 1.00 0.00 C ATOM 146 SG CYS A 11 -1.160 5.516 -2.706 1.00 0.00 S ATOM 0 H CYS A 11 2.016 5.904 -4.867 1.00 0.00 H new ATOM 0 HA CYS A 11 0.983 7.264 -2.431 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.864 4.397 -3.354 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.866 4.783 -1.645 1.00 0.00 H new ATOM 151 N SER A 12 3.274 7.354 -1.579 1.00 0.00 N ATOM 152 CA SER A 12 4.553 7.453 -0.867 1.00 0.00 C ATOM 153 C SER A 12 4.439 7.026 0.610 1.00 0.00 C ATOM 154 O SER A 12 3.341 6.805 1.127 1.00 0.00 O ATOM 155 CB SER A 12 5.044 8.904 -0.946 1.00 0.00 C ATOM 156 OG SER A 12 5.228 9.317 -2.291 1.00 0.00 O ATOM 0 H SER A 12 2.696 8.186 -1.462 1.00 0.00 H new ATOM 0 HA SER A 12 5.260 6.773 -1.343 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.324 9.560 -0.458 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.984 9.002 -0.402 1.00 0.00 H new ATOM 0 HG SER A 12 5.539 10.246 -2.308 1.00 0.00 H new ATOM 162 N LEU A 13 5.571 6.943 1.322 1.00 0.00 N ATOM 163 CA LEU A 13 5.650 6.469 2.712 1.00 0.00 C ATOM 164 C LEU A 13 4.665 7.144 3.679 1.00 0.00 C ATOM 165 O LEU A 13 4.002 6.468 4.461 1.00 0.00 O ATOM 166 CB LEU A 13 7.115 6.568 3.189 1.00 0.00 C ATOM 167 CG LEU A 13 7.746 7.983 3.234 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.725 8.580 4.651 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.203 7.935 2.749 1.00 0.00 C ATOM 0 H LEU A 13 6.478 7.209 0.940 1.00 0.00 H new ATOM 0 HA LEU A 13 5.329 5.427 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.176 6.138 4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.727 5.945 2.537 1.00 0.00 H new ATOM 0 HG LEU A 13 7.146 8.615 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.177 9.572 4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.695 8.657 4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.288 7.935 5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.632 8.936 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.779 7.269 3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.233 7.565 1.724 1.00 0.00 H new ATOM 181 N TYR A 14 4.513 8.465 3.594 1.00 0.00 N ATOM 182 CA TYR A 14 3.652 9.247 4.491 1.00 0.00 C ATOM 183 C TYR A 14 2.148 9.062 4.226 1.00 0.00 C ATOM 184 O TYR A 14 1.330 9.296 5.114 1.00 0.00 O ATOM 185 CB TYR A 14 4.034 10.729 4.370 1.00 0.00 C ATOM 186 CG TYR A 14 4.199 11.228 2.948 1.00 0.00 C ATOM 187 CD1 TYR A 14 3.065 11.562 2.186 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.478 11.283 2.364 1.00 0.00 C ATOM 189 CE1 TYR A 14 3.199 11.921 0.833 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.626 11.674 1.021 1.00 0.00 C ATOM 191 CZ TYR A 14 4.486 12.005 0.251 1.00 0.00 C ATOM 192 OH TYR A 14 4.630 12.356 -1.058 1.00 0.00 O ATOM 0 H TYR A 14 4.989 9.033 2.893 1.00 0.00 H new ATOM 0 HA TYR A 14 3.820 8.880 5.503 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.269 11.328 4.864 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.967 10.895 4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.086 11.543 2.642 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.348 11.024 2.949 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.322 12.132 0.240 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.610 11.722 0.578 1.00 0.00 H new ATOM 0 HH TYR A 14 5.582 12.365 -1.292 1.00 0.00 H new ATOM 202 N GLN A 15 1.783 8.633 3.016 1.00 0.00 N ATOM 203 CA GLN A 15 0.425 8.230 2.647 1.00 0.00 C ATOM 204 C GLN A 15 0.189 6.788 3.110 1.00 0.00 C ATOM 205 O GLN A 15 -0.803 6.518 3.780 1.00 0.00 O ATOM 206 CB GLN A 15 0.292 8.327 1.118 1.00 0.00 C ATOM 207 CG GLN A 15 0.156 9.736 0.534 1.00 0.00 C ATOM 208 CD GLN A 15 0.444 9.687 -0.967 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.589 9.678 -1.397 1.00 0.00 O ATOM 210 NE2 GLN A 15 -0.551 9.549 -1.818 1.00 0.00 N ATOM 0 H GLN A 15 2.444 8.554 2.243 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.314 8.877 3.120 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.165 7.854 0.669 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.578 7.745 0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.848 10.121 0.712 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.850 10.416 1.028 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.514 9.554 -1.482 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.359 9.438 -2.814 1.00 0.00 H new ATOM 219 N LEU A 16 1.121 5.876 2.811 1.00 0.00 N ATOM 220 CA LEU A 16 1.057 4.454 3.149 1.00 0.00 C ATOM 221 C LEU A 16 1.011 4.184 4.660 1.00 0.00 C ATOM 222 O LEU A 16 0.352 3.239 5.094 1.00 0.00 O ATOM 223 CB LEU A 16 2.283 3.783 2.517 1.00 0.00 C ATOM 224 CG LEU A 16 2.208 3.621 0.987 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.584 3.193 0.475 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.181 2.566 0.566 1.00 0.00 C ATOM 0 H LEU A 16 1.973 6.121 2.307 1.00 0.00 H new ATOM 0 HA LEU A 16 0.126 4.043 2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.169 4.368 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.415 2.799 2.967 1.00 0.00 H new ATOM 0 HG LEU A 16 1.901 4.577 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.548 3.074 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.321 3.954 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.865 2.246 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.164 2.488 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.453 1.602 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.193 2.857 0.924 1.00 0.00 H new ATOM 238 N GLU A 17 1.670 5.016 5.470 1.00 0.00 N ATOM 239 CA GLU A 17 1.680 4.881 6.931 1.00 0.00 C ATOM 240 C GLU A 17 0.270 4.977 7.547 1.00 0.00 C ATOM 241 O GLU A 17 0.001 4.379 8.588 1.00 0.00 O ATOM 242 CB GLU A 17 2.608 5.945 7.531 1.00 0.00 C ATOM 243 CG GLU A 17 2.964 5.638 8.989 1.00 0.00 C ATOM 244 CD GLU A 17 3.991 6.642 9.532 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.593 7.758 9.944 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.204 6.321 9.564 1.00 0.00 O1- ATOM 0 H GLU A 17 2.216 5.808 5.130 1.00 0.00 H new ATOM 0 HA GLU A 17 2.052 3.885 7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.522 6.005 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.126 6.921 7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.062 5.669 9.601 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.365 4.627 9.063 1.00 0.00 H new ATOM 253 N ASN A 18 -0.661 5.667 6.884 1.00 0.00 N ATOM 254 CA ASN A 18 -2.062 5.757 7.317 1.00 0.00 C ATOM 255 C ASN A 18 -2.800 4.403 7.335 1.00 0.00 C ATOM 256 O ASN A 18 -3.839 4.282 7.988 1.00 0.00 O ATOM 257 CB ASN A 18 -2.819 6.747 6.423 1.00 0.00 C ATOM 258 CG ASN A 18 -2.311 8.173 6.579 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.601 8.864 7.549 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.528 8.637 5.629 1.00 0.00 N ATOM 0 H ASN A 18 -0.465 6.183 6.026 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.040 6.107 8.349 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.721 6.441 5.382 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.881 6.714 6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.153 9.584 5.694 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.295 8.050 4.828 1.00 0.00 H new ATOM 267 N TYR A 19 -2.272 3.383 6.647 1.00 0.00 N ATOM 268 CA TYR A 19 -2.829 2.024 6.608 1.00 0.00 C ATOM 269 C TYR A 19 -1.976 1.011 7.407 1.00 0.00 C ATOM 270 O TYR A 19 -2.247 -0.192 7.393 1.00 0.00 O ATOM 271 CB TYR A 19 -3.036 1.604 5.143 1.00 0.00 C ATOM 272 CG TYR A 19 -3.552 2.707 4.230 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.915 3.061 4.207 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.642 3.400 3.411 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.360 4.104 3.371 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.073 4.443 2.575 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.440 4.799 2.549 1.00 0.00 C ATOM 278 OH TYR A 19 -4.867 5.803 1.733 1.00 0.00 O ATOM 0 H TYR A 19 -1.425 3.482 6.088 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.798 2.028 7.107 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.089 1.238 4.747 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.737 0.770 5.114 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.620 2.532 4.831 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.597 3.126 3.425 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.406 4.374 3.357 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.363 4.970 1.955 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.104 6.171 1.241 1.00 0.00 H new ATOM 288 N CYS A 20 -0.946 1.493 8.115 1.00 0.00 N ATOM 289 CA CYS A 20 -0.106 0.696 9.020 1.00 0.00 C ATOM 290 C CYS A 20 -0.855 0.379 10.329 1.00 0.00 C ATOM 291 O CYS A 20 -1.495 1.263 10.905 1.00 0.00 O ATOM 292 CB CYS A 20 1.200 1.464 9.280 1.00 0.00 C ATOM 293 SG CYS A 20 2.415 0.702 10.392 1.00 0.00 S ATOM 0 H CYS A 20 -0.666 2.473 8.073 1.00 0.00 H new ATOM 0 HA CYS A 20 0.132 -0.262 8.558 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.685 1.636 8.319 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.940 2.442 9.686 1.00 0.00 H new ATOM 298 N ASN A 21 -0.783 -0.864 10.820 1.00 0.00 N ATOM 299 CA ASN A 21 -1.471 -1.276 12.054 1.00 0.00 C ATOM 300 C ASN A 21 -0.865 -0.594 13.296 1.00 0.00 C ATOM 301 O ASN A 21 0.301 -0.818 13.648 1.00 0.00 O ATOM 302 CB ASN A 21 -1.466 -2.811 12.207 1.00 0.00 C ATOM 303 CG ASN A 21 -2.327 -3.557 11.186 1.00 0.00 C ATOM 304 OD1 ASN A 21 -3.060 -2.982 10.389 1.00 0.00 O ATOM 305 ND2 ASN A 21 -2.280 -4.877 11.198 1.00 0.00 N ATOM 0 H ASN A 21 -0.249 -1.611 10.377 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.508 -0.949 11.974 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.439 -3.167 12.126 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.813 -3.064 13.209 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.852 -5.414 10.546 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.672 -5.360 11.859 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 10.439 0.570 -3.272 1.00 0.00 N ATOM 314 CA PHE B 1 9.355 0.862 -4.213 1.00 0.00 C ATOM 315 C PHE B 1 9.368 2.315 -4.730 1.00 0.00 C ATOM 316 O PHE B 1 8.588 2.668 -5.613 1.00 0.00 O ATOM 317 CB PHE B 1 8.016 0.467 -3.583 1.00 0.00 C ATOM 318 CG PHE B 1 7.620 1.309 -2.392 1.00 0.00 C ATOM 319 CD1 PHE B 1 6.874 2.483 -2.580 1.00 0.00 C ATOM 320 CD2 PHE B 1 8.003 0.915 -1.099 1.00 0.00 C ATOM 321 CE1 PHE B 1 6.478 3.248 -1.470 1.00 0.00 C ATOM 322 CE2 PHE B 1 7.606 1.676 0.013 1.00 0.00 C ATOM 323 CZ PHE B 1 6.833 2.836 -0.172 1.00 0.00 C ATOM 0 H1 PHE B 1 10.635 -0.451 -3.274 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.295 1.087 -3.557 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.158 0.866 -2.316 1.00 0.00 H new ATOM 0 HA PHE B 1 9.512 0.259 -5.107 1.00 0.00 H new ATOM 0 HB2 PHE B 1 7.235 0.539 -4.340 1.00 0.00 H new ATOM 0 HB3 PHE B 1 8.066 -0.577 -3.275 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.605 2.798 -3.577 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.602 0.027 -0.960 1.00 0.00 H new ATOM 0 HE1 PHE B 1 5.902 4.151 -1.613 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.894 1.371 1.008 1.00 0.00 H new ATOM 0 HZ PHE B 1 6.511 3.412 0.683 1.00 0.00 H new ATOM 333 N VAL B 2 10.262 3.150 -4.187 1.00 0.00 N ATOM 334 CA VAL B 2 10.792 4.420 -4.743 1.00 0.00 C ATOM 335 C VAL B 2 9.883 5.639 -4.554 1.00 0.00 C ATOM 336 O VAL B 2 10.393 6.743 -4.368 1.00 0.00 O ATOM 337 CB VAL B 2 11.228 4.276 -6.233 1.00 0.00 C ATOM 338 CG1 VAL B 2 11.866 5.557 -6.804 1.00 0.00 C ATOM 339 CG2 VAL B 2 12.255 3.137 -6.400 1.00 0.00 C ATOM 0 H VAL B 2 10.672 2.947 -3.275 1.00 0.00 H new ATOM 0 HA VAL B 2 11.677 4.621 -4.139 1.00 0.00 H new ATOM 0 HB VAL B 2 10.310 4.063 -6.780 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.147 5.391 -7.844 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.149 6.376 -6.748 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.753 5.811 -6.224 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.543 3.057 -7.448 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.137 3.351 -5.797 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.812 2.196 -6.073 1.00 0.00 H new ATOM 349 N ASN B 3 8.567 5.418 -4.588 1.00 0.00 N ATOM 350 CA ASN B 3 7.441 6.363 -4.619 1.00 0.00 C ATOM 351 C ASN B 3 6.873 6.347 -6.046 1.00 0.00 C ATOM 352 O ASN B 3 7.494 6.847 -6.987 1.00 0.00 O ATOM 353 CB ASN B 3 7.724 7.797 -4.120 1.00 0.00 C ATOM 354 CG ASN B 3 8.194 7.923 -2.663 1.00 0.00 C ATOM 355 OD1 ASN B 3 8.636 8.983 -2.237 1.00 0.00 O ATOM 356 ND2 ASN B 3 8.134 6.878 -1.849 1.00 0.00 N ATOM 0 H ASN B 3 8.221 4.458 -4.595 1.00 0.00 H new ATOM 0 HA ASN B 3 6.714 6.017 -3.885 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.482 8.242 -4.765 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.816 8.388 -4.240 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.453 6.964 -0.884 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.769 5.988 -2.188 1.00 0.00 H new ATOM 363 N GLN B 4 5.728 5.686 -6.213 1.00 0.00 N ATOM 364 CA GLN B 4 5.267 5.147 -7.491 1.00 0.00 C ATOM 365 C GLN B 4 3.759 4.855 -7.410 1.00 0.00 C ATOM 366 O GLN B 4 3.163 4.891 -6.331 1.00 0.00 O ATOM 367 CB GLN B 4 6.101 3.879 -7.788 1.00 0.00 C ATOM 368 CG GLN B 4 6.062 3.389 -9.246 1.00 0.00 C ATOM 369 CD GLN B 4 7.091 2.284 -9.493 1.00 0.00 C ATOM 370 OE1 GLN B 4 8.073 2.456 -10.206 1.00 0.00 O ATOM 371 NE2 GLN B 4 6.925 1.114 -8.907 1.00 0.00 N ATOM 0 H GLN B 4 5.081 5.507 -5.445 1.00 0.00 H new ATOM 0 HA GLN B 4 5.406 5.858 -8.306 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.138 4.075 -7.516 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.749 3.074 -7.143 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.064 3.018 -9.480 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.256 4.225 -9.918 1.00 0.00 H new ATOM 0 HE21 GLN B 4 6.114 0.953 -8.310 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.608 0.370 -9.051 1.00 0.00 H new ATOM 380 N HIS B 5 3.139 4.530 -8.545 1.00 0.00 N ATOM 381 CA HIS B 5 1.855 3.823 -8.576 1.00 0.00 C ATOM 382 C HIS B 5 2.029 2.394 -8.013 1.00 0.00 C ATOM 383 O HIS B 5 2.999 1.706 -8.350 1.00 0.00 O ATOM 384 CB HIS B 5 1.326 3.791 -10.018 1.00 0.00 C ATOM 385 CG HIS B 5 1.270 5.140 -10.689 1.00 0.00 C ATOM 386 ND1 HIS B 5 0.201 6.034 -10.631 1.00 0.00 N ATOM 387 CD2 HIS B 5 2.251 5.673 -11.475 1.00 0.00 C ATOM 388 CE1 HIS B 5 0.569 7.088 -11.380 1.00 0.00 C ATOM 389 NE2 HIS B 5 1.796 6.902 -11.897 1.00 0.00 N ATOM 0 H HIS B 5 3.511 4.749 -9.469 1.00 0.00 H new ATOM 0 HA HIS B 5 1.129 4.345 -7.952 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.959 3.130 -10.610 1.00 0.00 H new ATOM 0 HB3 HIS B 5 0.326 3.358 -10.016 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.200 5.219 -11.719 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -0.039 7.965 -11.544 1.00 0.00 H new ATOM 0 HE2 HIS B 5 2.301 7.556 -12.496 1.00 0.00 H new ATOM 397 N LEU B 6 1.108 1.939 -7.159 1.00 0.00 N ATOM 398 CA LEU B 6 1.190 0.664 -6.434 1.00 0.00 C ATOM 399 C LEU B 6 -0.180 -0.019 -6.411 1.00 0.00 C ATOM 400 O LEU B 6 -1.183 0.601 -6.066 1.00 0.00 O ATOM 401 CB LEU B 6 1.661 0.917 -4.989 1.00 0.00 C ATOM 402 CG LEU B 6 3.039 1.586 -4.821 1.00 0.00 C ATOM 403 CD1 LEU B 6 3.171 2.008 -3.356 1.00 0.00 C ATOM 404 CD2 LEU B 6 4.207 0.676 -5.219 1.00 0.00 C ATOM 0 H LEU B 6 0.259 2.462 -6.945 1.00 0.00 H new ATOM 0 HA LEU B 6 1.904 0.016 -6.942 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.917 1.539 -4.492 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.679 -0.038 -4.464 1.00 0.00 H new ATOM 0 HG LEU B 6 3.092 2.443 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.138 2.487 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.375 2.709 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.094 1.129 -2.716 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.148 1.208 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.199 -0.219 -4.597 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.106 0.391 -6.266 1.00 0.00 H new ATOM 416 N CYS B 7 -0.232 -1.305 -6.752 1.00 0.00 N ATOM 417 CA CYS B 7 -1.493 -2.030 -6.947 1.00 0.00 C ATOM 418 C CYS B 7 -1.308 -3.532 -6.690 1.00 0.00 C ATOM 419 O CYS B 7 -0.402 -4.148 -7.258 1.00 0.00 O ATOM 420 CB CYS B 7 -1.986 -1.724 -8.370 1.00 0.00 C ATOM 421 SG CYS B 7 -3.755 -1.956 -8.662 1.00 0.00 S ATOM 0 H CYS B 7 0.599 -1.878 -6.902 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.247 -1.703 -6.231 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.731 -0.691 -8.607 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.437 -2.356 -9.067 1.00 0.00 H new ATOM 426 N GLY B 8 -2.117 -4.115 -5.796 1.00 0.00 N ATOM 427 CA GLY B 8 -2.009 -5.523 -5.392 1.00 0.00 C ATOM 428 C GLY B 8 -0.708 -5.803 -4.638 1.00 0.00 C ATOM 429 O GLY B 8 -0.439 -5.194 -3.601 1.00 0.00 O ATOM 0 H GLY B 8 -2.874 -3.617 -5.327 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -2.858 -5.785 -4.761 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.060 -6.159 -6.276 1.00 0.00 H new ATOM 433 N SER B 9 0.107 -6.720 -5.163 1.00 0.00 N ATOM 434 CA SER B 9 1.393 -7.128 -4.572 1.00 0.00 C ATOM 435 C SER B 9 2.313 -5.929 -4.287 1.00 0.00 C ATOM 436 O SER B 9 2.728 -5.737 -3.148 1.00 0.00 O ATOM 437 CB SER B 9 2.081 -8.147 -5.493 1.00 0.00 C ATOM 438 OG SER B 9 3.241 -8.694 -4.881 1.00 0.00 O ATOM 0 H SER B 9 -0.109 -7.213 -6.029 1.00 0.00 H new ATOM 0 HA SER B 9 1.188 -7.593 -3.608 1.00 0.00 H new ATOM 0 HB2 SER B 9 1.384 -8.948 -5.738 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.355 -7.665 -6.432 1.00 0.00 H new ATOM 0 HG SER B 9 3.658 -9.340 -5.489 1.00 0.00 H new ATOM 444 N HIS B 10 2.542 -5.038 -5.261 1.00 0.00 N ATOM 445 CA HIS B 10 3.297 -3.786 -5.075 1.00 0.00 C ATOM 446 C HIS B 10 2.816 -2.957 -3.867 1.00 0.00 C ATOM 447 O HIS B 10 3.630 -2.444 -3.100 1.00 0.00 O ATOM 448 CB HIS B 10 3.180 -2.946 -6.362 1.00 0.00 C ATOM 449 CG HIS B 10 4.200 -3.239 -7.430 1.00 0.00 C ATOM 450 ND1 HIS B 10 4.566 -2.342 -8.437 1.00 0.00 N ATOM 451 CD2 HIS B 10 4.930 -4.382 -7.570 1.00 0.00 C ATOM 452 CE1 HIS B 10 5.507 -2.971 -9.158 1.00 0.00 C ATOM 453 NE2 HIS B 10 5.747 -4.199 -8.663 1.00 0.00 N ATOM 0 H HIS B 10 2.204 -5.166 -6.215 1.00 0.00 H new ATOM 0 HA HIS B 10 4.333 -4.054 -4.870 1.00 0.00 H new ATOM 0 HB2 HIS B 10 2.186 -3.098 -6.784 1.00 0.00 H new ATOM 0 HB3 HIS B 10 3.255 -1.892 -6.094 1.00 0.00 H new ATOM 0 HD2 HIS B 10 4.878 -5.261 -6.945 1.00 0.00 H new ATOM 0 HE1 HIS B 10 6.004 -2.549 -10.019 1.00 0.00 H new ATOM 0 HE2 HIS B 10 6.416 -4.875 -9.032 1.00 0.00 H new ATOM 461 N LEU B 11 1.494 -2.854 -3.681 1.00 0.00 N ATOM 462 CA LEU B 11 0.875 -2.118 -2.576 1.00 0.00 C ATOM 463 C LEU B 11 1.108 -2.843 -1.238 1.00 0.00 C ATOM 464 O LEU B 11 1.516 -2.207 -0.272 1.00 0.00 O ATOM 465 CB LEU B 11 -0.618 -1.897 -2.913 1.00 0.00 C ATOM 466 CG LEU B 11 -1.190 -0.516 -2.529 1.00 0.00 C ATOM 467 CD1 LEU B 11 -2.683 -0.477 -2.884 1.00 0.00 C ATOM 468 CD2 LEU B 11 -1.012 -0.173 -1.047 1.00 0.00 C ATOM 0 H LEU B 11 0.815 -3.288 -4.306 1.00 0.00 H new ATOM 0 HA LEU B 11 1.337 -1.138 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.756 -2.042 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.204 -2.666 -2.409 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.629 0.230 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.095 0.496 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.807 -0.641 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.208 -1.258 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.437 0.811 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.522 -0.919 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.050 -0.167 -0.800 1.00 0.00 H new ATOM 480 N VAL B 12 0.952 -4.172 -1.195 1.00 0.00 N ATOM 481 CA VAL B 12 1.255 -5.001 -0.005 1.00 0.00 C ATOM 482 C VAL B 12 2.733 -4.911 0.398 1.00 0.00 C ATOM 483 O VAL B 12 3.037 -4.731 1.577 1.00 0.00 O ATOM 484 CB VAL B 12 0.884 -6.493 -0.240 1.00 0.00 C ATOM 485 CG1 VAL B 12 1.379 -7.454 0.858 1.00 0.00 C ATOM 486 CG2 VAL B 12 -0.633 -6.678 -0.385 1.00 0.00 C ATOM 0 H VAL B 12 0.609 -4.714 -1.988 1.00 0.00 H new ATOM 0 HA VAL B 12 0.646 -4.601 0.806 1.00 0.00 H new ATOM 0 HB VAL B 12 1.399 -6.752 -1.165 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.076 -8.472 0.614 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.466 -7.404 0.922 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.945 -7.167 1.816 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.857 -7.732 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.130 -6.338 0.524 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.991 -6.095 -1.234 1.00 0.00 H new ATOM 496 N GLU B 13 3.641 -5.026 -0.572 1.00 0.00 N ATOM 497 CA GLU B 13 5.092 -4.938 -0.378 1.00 0.00 C ATOM 498 C GLU B 13 5.485 -3.563 0.173 1.00 0.00 C ATOM 499 O GLU B 13 6.230 -3.472 1.147 1.00 0.00 O ATOM 500 CB GLU B 13 5.813 -5.175 -1.716 1.00 0.00 C ATOM 501 CG GLU B 13 5.696 -6.605 -2.261 1.00 0.00 C ATOM 502 CD GLU B 13 6.677 -7.565 -1.570 1.00 0.00 C ATOM 503 OE1 GLU B 13 7.847 -7.658 -2.012 1.00 0.00 O1- ATOM 504 OE2 GLU B 13 6.285 -8.241 -0.590 1.00 0.00 O ATOM 0 H GLU B 13 3.381 -5.188 -1.545 1.00 0.00 H new ATOM 0 HA GLU B 13 5.388 -5.702 0.341 1.00 0.00 H new ATOM 0 HB2 GLU B 13 5.412 -4.484 -2.457 1.00 0.00 H new ATOM 0 HB3 GLU B 13 6.869 -4.933 -1.593 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.677 -6.965 -2.120 1.00 0.00 H new ATOM 0 HG3 GLU B 13 5.887 -6.601 -3.334 1.00 0.00 H new ATOM 511 N ALA B 14 4.949 -2.489 -0.414 1.00 0.00 N ATOM 512 CA ALA B 14 5.191 -1.121 0.028 1.00 0.00 C ATOM 513 C ALA B 14 4.671 -0.871 1.449 1.00 0.00 C ATOM 514 O ALA B 14 5.411 -0.365 2.296 1.00 0.00 O ATOM 515 CB ALA B 14 4.526 -0.184 -0.976 1.00 0.00 C ATOM 0 H ALA B 14 4.327 -2.551 -1.220 1.00 0.00 H new ATOM 0 HA ALA B 14 6.265 -0.937 0.068 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.690 0.850 -0.672 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.957 -0.344 -1.964 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.456 -0.387 -1.010 1.00 0.00 H new ATOM 521 N LEU B 15 3.424 -1.268 1.734 1.00 0.00 N ATOM 522 CA LEU B 15 2.840 -1.156 3.070 1.00 0.00 C ATOM 523 C LEU B 15 3.686 -1.882 4.117 1.00 0.00 C ATOM 524 O LEU B 15 3.973 -1.304 5.161 1.00 0.00 O ATOM 525 CB LEU B 15 1.400 -1.691 3.078 1.00 0.00 C ATOM 526 CG LEU B 15 0.333 -0.760 2.493 1.00 0.00 C ATOM 527 CD1 LEU B 15 -0.990 -1.524 2.446 1.00 0.00 C ATOM 528 CD2 LEU B 15 0.157 0.508 3.332 1.00 0.00 C ATOM 0 H LEU B 15 2.794 -1.675 1.043 1.00 0.00 H new ATOM 0 HA LEU B 15 2.822 -0.098 3.333 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.379 -2.629 2.523 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.126 -1.924 4.107 1.00 0.00 H new ATOM 0 HG LEU B 15 0.648 -0.451 1.496 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.767 -0.881 2.032 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.878 -2.408 1.818 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.270 -1.829 3.454 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.609 1.139 2.881 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.146 0.236 4.343 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.100 1.053 3.370 1.00 0.00 H new ATOM 540 N TYR B 16 4.153 -3.096 3.825 1.00 0.00 N ATOM 541 CA TYR B 16 5.083 -3.820 4.691 1.00 0.00 C ATOM 542 C TYR B 16 6.419 -3.071 4.875 1.00 0.00 C ATOM 543 O TYR B 16 6.890 -2.935 6.004 1.00 0.00 O ATOM 544 CB TYR B 16 5.302 -5.232 4.130 1.00 0.00 C ATOM 545 CG TYR B 16 6.473 -5.941 4.778 1.00 0.00 C ATOM 546 CD1 TYR B 16 6.380 -6.375 6.115 1.00 0.00 C ATOM 547 CD2 TYR B 16 7.692 -6.056 4.083 1.00 0.00 C ATOM 548 CE1 TYR B 16 7.504 -6.925 6.759 1.00 0.00 C ATOM 549 CE2 TYR B 16 8.822 -6.597 4.723 1.00 0.00 C ATOM 550 CZ TYR B 16 8.732 -7.036 6.065 1.00 0.00 C ATOM 551 OH TYR B 16 9.831 -7.549 6.685 1.00 0.00 O ATOM 0 H TYR B 16 3.896 -3.606 2.980 1.00 0.00 H new ATOM 0 HA TYR B 16 4.641 -3.892 5.685 1.00 0.00 H new ATOM 0 HB2 TYR B 16 4.398 -5.822 4.278 1.00 0.00 H new ATOM 0 HB3 TYR B 16 5.469 -5.170 3.055 1.00 0.00 H new ATOM 0 HD1 TYR B 16 5.444 -6.285 6.647 1.00 0.00 H new ATOM 0 HD2 TYR B 16 7.760 -5.728 3.056 1.00 0.00 H new ATOM 0 HE1 TYR B 16 7.429 -7.262 7.782 1.00 0.00 H new ATOM 0 HE2 TYR B 16 9.758 -6.677 4.190 1.00 0.00 H new ATOM 0 HH TYR B 16 10.587 -7.553 6.061 1.00 0.00 H new ATOM 561 N LEU B 17 7.016 -2.539 3.801 1.00 0.00 N ATOM 562 CA LEU B 17 8.291 -1.808 3.864 1.00 0.00 C ATOM 563 C LEU B 17 8.180 -0.497 4.663 1.00 0.00 C ATOM 564 O LEU B 17 9.105 -0.157 5.400 1.00 0.00 O ATOM 565 CB LEU B 17 8.808 -1.568 2.434 1.00 0.00 C ATOM 566 CG LEU B 17 9.391 -2.832 1.764 1.00 0.00 C ATOM 567 CD1 LEU B 17 9.578 -2.569 0.264 1.00 0.00 C ATOM 568 CD2 LEU B 17 10.736 -3.250 2.380 1.00 0.00 C ATOM 0 H LEU B 17 6.628 -2.603 2.860 1.00 0.00 H new ATOM 0 HA LEU B 17 9.013 -2.419 4.406 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.991 -1.187 1.821 1.00 0.00 H new ATOM 0 HB3 LEU B 17 9.575 -0.794 2.460 1.00 0.00 H new ATOM 0 HG LEU B 17 8.687 -3.648 1.927 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.989 -3.459 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.615 -2.329 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU B 17 10.263 -1.733 0.124 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.105 -4.143 1.876 1.00 0.00 H new ATOM 0 HD22 LEU B 17 11.457 -2.442 2.261 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.600 -3.462 3.440 1.00 0.00 H new ATOM 580 N VAL B 18 7.048 0.206 4.568 1.00 0.00 N ATOM 581 CA VAL B 18 6.746 1.413 5.367 1.00 0.00 C ATOM 582 C VAL B 18 6.476 1.058 6.835 1.00 0.00 C ATOM 583 O VAL B 18 7.085 1.628 7.739 1.00 0.00 O ATOM 584 CB VAL B 18 5.529 2.166 4.782 1.00 0.00 C ATOM 585 CG1 VAL B 18 5.036 3.332 5.658 1.00 0.00 C ATOM 586 CG2 VAL B 18 5.895 2.722 3.405 1.00 0.00 C ATOM 0 H VAL B 18 6.298 -0.046 3.924 1.00 0.00 H new ATOM 0 HA VAL B 18 7.622 2.060 5.323 1.00 0.00 H new ATOM 0 HB VAL B 18 4.719 1.439 4.728 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.181 3.810 5.180 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.740 2.953 6.636 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.838 4.061 5.779 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.040 3.254 2.988 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.737 3.408 3.501 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.170 1.901 2.742 1.00 0.00 H new ATOM 596 N CYS B 19 5.554 0.121 7.067 1.00 0.00 N ATOM 597 CA CYS B 19 5.079 -0.267 8.405 1.00 0.00 C ATOM 598 C CYS B 19 6.106 -1.075 9.231 1.00 0.00 C ATOM 599 O CYS B 19 6.009 -1.146 10.459 1.00 0.00 O ATOM 600 CB CYS B 19 3.759 -1.027 8.225 1.00 0.00 C ATOM 601 SG CYS B 19 2.705 -1.185 9.688 1.00 0.00 S ATOM 0 H CYS B 19 5.105 -0.403 6.316 1.00 0.00 H new ATOM 0 HA CYS B 19 4.928 0.637 8.995 1.00 0.00 H new ATOM 0 HB2 CYS B 19 3.184 -0.530 7.444 1.00 0.00 H new ATOM 0 HB3 CYS B 19 3.990 -2.029 7.862 1.00 0.00 H new ATOM 606 N GLY B 20 7.119 -1.649 8.575 1.00 0.00 N ATOM 607 CA GLY B 20 8.269 -2.313 9.198 1.00 0.00 C ATOM 608 C GLY B 20 7.934 -3.726 9.677 1.00 0.00 C ATOM 609 O GLY B 20 7.384 -4.531 8.929 1.00 0.00 O ATOM 0 H GLY B 20 7.163 -1.665 7.556 1.00 0.00 H new ATOM 0 HA2 GLY B 20 9.090 -2.359 8.483 1.00 0.00 H new ATOM 0 HA3 GLY B 20 8.615 -1.718 10.043 1.00 0.00 H new ATOM 613 N GLU B 21 8.271 -4.030 10.932 1.00 0.00 N ATOM 614 CA GLU B 21 8.005 -5.332 11.570 1.00 0.00 C ATOM 615 C GLU B 21 6.522 -5.531 11.955 1.00 0.00 C ATOM 616 O GLU B 21 6.154 -6.575 12.500 1.00 0.00 O ATOM 617 CB GLU B 21 8.906 -5.500 12.808 1.00 0.00 C ATOM 618 CG GLU B 21 10.398 -5.475 12.455 1.00 0.00 C ATOM 619 CD GLU B 21 11.262 -5.750 13.695 1.00 0.00 C ATOM 620 OE1 GLU B 21 11.599 -4.789 14.429 1.00 0.00 O1- ATOM 621 OE2 GLU B 21 11.618 -6.927 13.944 1.00 0.00 O ATOM 0 H GLU B 21 8.745 -3.370 11.549 1.00 0.00 H new ATOM 0 HA GLU B 21 8.236 -6.100 10.832 1.00 0.00 H new ATOM 0 HB2 GLU B 21 8.691 -4.704 13.521 1.00 0.00 H new ATOM 0 HB3 GLU B 21 8.668 -6.442 13.301 1.00 0.00 H new ATOM 0 HG2 GLU B 21 10.607 -6.222 11.689 1.00 0.00 H new ATOM 0 HG3 GLU B 21 10.659 -4.504 12.033 1.00 0.00 H new ATOM 628 N ARG B 22 5.666 -4.527 11.721 1.00 0.00 N ATOM 629 CA ARG B 22 4.211 -4.564 11.914 1.00 0.00 C ATOM 630 C ARG B 22 3.470 -4.746 10.579 1.00 0.00 C ATOM 631 O ARG B 22 3.966 -4.363 9.516 1.00 0.00 O ATOM 632 CB ARG B 22 3.751 -3.277 12.628 1.00 0.00 C ATOM 633 CG ARG B 22 4.465 -2.956 13.957 1.00 0.00 C ATOM 634 CD ARG B 22 4.243 -3.969 15.090 1.00 0.00 C ATOM 635 NE ARG B 22 4.944 -5.244 14.863 1.00 0.00 N ATOM 636 CZ ARG B 22 5.129 -6.234 15.725 1.00 0.00 C ATOM 637 NH1 ARG B 22 4.724 -6.169 16.977 1.00 0.00 N ATOM 638 NH2 ARG B 22 5.737 -7.321 15.305 1.00 0.00 N1+ ATOM 0 H ARG B 22 5.986 -3.622 11.375 1.00 0.00 H new ATOM 0 HA ARG B 22 3.966 -5.424 12.537 1.00 0.00 H new ATOM 0 HB2 ARG B 22 3.893 -2.436 11.949 1.00 0.00 H new ATOM 0 HB3 ARG B 22 2.681 -3.354 12.821 1.00 0.00 H new ATOM 0 HG2 ARG B 22 5.535 -2.881 13.765 1.00 0.00 H new ATOM 0 HG3 ARG B 22 4.133 -1.976 14.300 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.583 -3.535 16.030 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.175 -4.161 15.195 1.00 0.00 H new ATOM 0 HE ARG B 22 5.334 -5.382 13.931 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.248 -5.333 17.316 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.887 -6.954 17.607 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.053 -7.387 14.337 1.00 0.00 H new ATOM 0 HH22 ARG B 22 5.893 -8.098 15.947 1.00 0.00 H new ATOM 652 N GLY B 23 2.276 -5.343 10.644 1.00 0.00 N ATOM 653 CA GLY B 23 1.414 -5.629 9.488 1.00 0.00 C ATOM 654 C GLY B 23 0.494 -4.469 9.107 1.00 0.00 C ATOM 655 O GLY B 23 0.505 -3.404 9.719 1.00 0.00 O ATOM 0 H GLY B 23 1.869 -5.650 11.527 1.00 0.00 H new ATOM 0 HA2 GLY B 23 2.040 -5.881 8.632 1.00 0.00 H new ATOM 0 HA3 GLY B 23 0.806 -6.507 9.707 1.00 0.00 H new ATOM 659 N HIS B 24 -0.335 -4.699 8.093 1.00 0.00 N ATOM 660 CA HIS B 24 -1.321 -3.745 7.571 1.00 0.00 C ATOM 661 C HIS B 24 -2.669 -4.428 7.255 1.00 0.00 C ATOM 662 O HIS B 24 -2.719 -5.619 6.932 1.00 0.00 O ATOM 663 CB HIS B 24 -0.726 -3.036 6.346 1.00 0.00 C ATOM 664 CG HIS B 24 -0.245 -3.965 5.265 1.00 0.00 C ATOM 665 ND1 HIS B 24 -1.044 -4.530 4.268 1.00 0.00 N ATOM 666 CD2 HIS B 24 1.060 -4.300 5.038 1.00 0.00 C ATOM 667 CE1 HIS B 24 -0.194 -5.182 3.460 1.00 0.00 C ATOM 668 NE2 HIS B 24 1.072 -5.071 3.899 1.00 0.00 N ATOM 0 H HIS B 24 -0.342 -5.587 7.590 1.00 0.00 H new ATOM 0 HA HIS B 24 -1.541 -3.000 8.336 1.00 0.00 H new ATOM 0 HB2 HIS B 24 -1.478 -2.368 5.926 1.00 0.00 H new ATOM 0 HB3 HIS B 24 0.107 -2.413 6.671 1.00 0.00 H new ATOM 0 HD2 HIS B 24 1.914 -4.016 5.635 1.00 0.00 H new ATOM 0 HE1 HIS B 24 -0.488 -5.725 2.574 1.00 0.00 H new ATOM 0 HE2 HIS B 24 1.896 -5.486 3.464 1.00 0.00 H new ATOM 676 N PHE B 25 -3.768 -3.676 7.365 1.00 0.00 N ATOM 677 CA PHE B 25 -5.136 -4.197 7.234 1.00 0.00 C ATOM 678 C PHE B 25 -5.627 -4.331 5.779 1.00 0.00 C ATOM 679 O PHE B 25 -6.690 -4.907 5.542 1.00 0.00 O ATOM 680 CB PHE B 25 -6.077 -3.327 8.086 1.00 0.00 C ATOM 681 CG PHE B 25 -6.071 -1.837 7.781 1.00 0.00 C ATOM 682 CD1 PHE B 25 -6.658 -1.349 6.597 1.00 0.00 C ATOM 683 CD2 PHE B 25 -5.496 -0.933 8.697 1.00 0.00 C ATOM 684 CE1 PHE B 25 -6.673 0.032 6.332 1.00 0.00 C ATOM 685 CE2 PHE B 25 -5.534 0.449 8.442 1.00 0.00 C ATOM 686 CZ PHE B 25 -6.134 0.932 7.266 1.00 0.00 C ATOM 0 H PHE B 25 -3.734 -2.674 7.550 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.137 -5.222 7.605 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.094 -3.698 7.961 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.814 -3.463 9.135 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.098 -2.038 5.891 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -5.026 -1.303 9.596 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -7.099 0.401 5.410 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -5.102 1.140 9.150 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.181 1.995 7.081 1.00 0.00 H new ATOM 696 N TYR B 26 -4.880 -3.811 4.797 1.00 0.00 N ATOM 697 CA TYR B 26 -5.265 -3.824 3.378 1.00 0.00 C ATOM 698 C TYR B 26 -5.347 -5.235 2.759 1.00 0.00 C ATOM 699 O TYR B 26 -6.206 -5.449 1.899 1.00 0.00 O ATOM 700 CB TYR B 26 -4.266 -2.952 2.595 1.00 0.00 C ATOM 701 CG TYR B 26 -4.269 -3.169 1.089 1.00 0.00 C ATOM 702 CD1 TYR B 26 -5.436 -2.943 0.332 1.00 0.00 C ATOM 703 CD2 TYR B 26 -3.123 -3.687 0.455 1.00 0.00 C ATOM 704 CE1 TYR B 26 -5.465 -3.248 -1.043 1.00 0.00 C ATOM 705 CE2 TYR B 26 -3.131 -3.950 -0.925 1.00 0.00 C ATOM 706 CZ TYR B 26 -4.304 -3.737 -1.682 1.00 0.00 C ATOM 707 OH TYR B 26 -4.312 -4.019 -3.015 1.00 0.00 O ATOM 0 H TYR B 26 -3.979 -3.363 4.967 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.277 -3.424 3.313 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.485 -1.904 2.797 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -3.262 -3.146 2.973 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.314 -2.533 0.809 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -2.232 -3.883 1.033 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.374 -3.108 -1.608 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -2.237 -4.316 -1.408 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.391 -4.124 -3.333 1.00 0.00 H new ATOM 717 N THR B 27 -4.456 -6.154 3.178 1.00 0.00 N ATOM 718 CA THR B 27 -4.153 -7.481 2.584 1.00 0.00 C ATOM 719 C THR B 27 -5.273 -8.030 1.667 1.00 0.00 C ATOM 720 O THR B 27 -6.291 -8.513 2.175 1.00 0.00 O ATOM 721 CB THR B 27 -3.758 -8.496 3.673 1.00 0.00 C ATOM 722 OG1 THR B 27 -4.645 -8.431 4.772 1.00 0.00 O ATOM 723 CG2 THR B 27 -2.344 -8.216 4.192 1.00 0.00 C ATOM 0 H THR B 27 -3.883 -5.980 4.003 1.00 0.00 H new ATOM 0 HA THR B 27 -3.297 -7.328 1.927 1.00 0.00 H new ATOM 0 HB THR B 27 -3.802 -9.485 3.217 1.00 0.00 H new ATOM 0 HG1 THR B 27 -5.570 -8.458 4.448 1.00 0.00 H new ATOM 0 HG21 THR B 27 -2.087 -8.946 4.960 1.00 0.00 H new ATOM 0 HG22 THR B 27 -1.633 -8.290 3.369 1.00 0.00 H new ATOM 0 HG23 THR B 27 -2.304 -7.213 4.617 1.00 0.00 H new ATOM 731 N PRO B 28 -5.129 -7.912 0.326 1.00 0.00 N ATOM 732 CA PRO B 28 -6.230 -8.055 -0.624 1.00 0.00 C ATOM 733 C PRO B 28 -6.629 -9.522 -0.828 1.00 0.00 C ATOM 734 O PRO B 28 -5.836 -10.439 -0.611 1.00 0.00 O ATOM 735 CB PRO B 28 -5.740 -7.409 -1.925 1.00 0.00 C ATOM 736 CG PRO B 28 -4.230 -7.621 -1.871 1.00 0.00 C ATOM 737 CD PRO B 28 -3.931 -7.485 -0.380 1.00 0.00 C ATOM 0 HA PRO B 28 -7.134 -7.569 -0.256 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -6.182 -7.883 -2.801 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -5.997 -6.351 -1.971 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -3.944 -8.600 -2.255 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -3.694 -6.878 -2.462 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -3.076 -8.100 -0.099 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -3.679 -6.455 -0.128 1.00 0.00 H new ATOM 745 N LYS B 29 -7.864 -9.742 -1.291 1.00 0.00 N ATOM 746 CA LYS B 29 -8.459 -11.073 -1.513 1.00 0.00 C ATOM 747 C LYS B 29 -8.070 -11.702 -2.880 1.00 0.00 C ATOM 748 O LYS B 29 -8.854 -12.424 -3.505 1.00 0.00 O ATOM 749 CB LYS B 29 -9.983 -10.947 -1.272 1.00 0.00 C ATOM 750 CG LYS B 29 -10.736 -12.256 -0.954 1.00 0.00 C ATOM 751 CD LYS B 29 -10.235 -13.033 0.276 1.00 0.00 C ATOM 752 CE LYS B 29 -10.247 -12.180 1.554 1.00 0.00 C ATOM 753 NZ LYS B 29 -9.835 -12.966 2.746 1.00 0.00 N1+ ATOM 0 H LYS B 29 -8.499 -8.980 -1.530 1.00 0.00 H new ATOM 0 HA LYS B 29 -8.049 -11.791 -0.802 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.143 -10.252 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -10.434 -10.500 -2.158 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.790 -12.021 -0.807 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -10.674 -12.910 -1.824 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -10.860 -13.914 0.425 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.222 -13.389 0.090 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -9.576 -11.330 1.430 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -11.247 -11.777 1.712 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -9.856 -12.356 3.588 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.490 -13.763 2.880 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -8.871 -13.330 2.606 1.00 0.00 H new ATOM 767 N THR B 30 -6.863 -11.389 -3.361 1.00 0.00 N ATOM 768 CA THR B 30 -6.269 -11.846 -4.638 1.00 0.00 C ATOM 769 C THR B 30 -6.136 -13.373 -4.709 1.00 0.00 C ATOM 770 O THR B 30 -6.600 -13.966 -5.709 1.00 0.00 O ATOM 771 CB THR B 30 -4.897 -11.193 -4.855 1.00 0.00 C ATOM 772 OG1 THR B 30 -5.023 -9.793 -4.701 1.00 0.00 O ATOM 773 CG2 THR B 30 -4.335 -11.450 -6.254 1.00 0.00 C ATOM 774 OXT THR B 30 -5.573 -13.977 -3.766 1.00 0.00 O1- ATOM 0 H THR B 30 -6.232 -10.775 -2.846 1.00 0.00 H new ATOM 0 HA THR B 30 -6.950 -11.539 -5.432 1.00 0.00 H new ATOM 0 HB THR B 30 -4.218 -11.630 -4.123 1.00 0.00 H new ATOM 0 HG1 THR B 30 -4.150 -9.369 -4.837 1.00 0.00 H new ATOM 0 HG21 THR B 30 -3.364 -10.965 -6.351 1.00 0.00 H new ATOM 0 HG22 THR B 30 -4.222 -12.523 -6.409 1.00 0.00 H new ATOM 0 HG23 THR B 30 -5.018 -11.046 -7.001 1.00 0.00 H new TER 782 THR B 30