USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 377 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 24 DHI H2 : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DHI H : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0526 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.703 K(o=0.7,f=-4.3!) USER MOD Single : A 18 ASN : amide:sc= 0.891 K(o=0.89,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 1.33 USER MOD Single : A 21 ASN : amide:sc= -0.0907 K(o=-0.091,f=-1.3) USER MOD Single : B 1 PHE N :NH3+ -176:sc= -0.0669 (180deg=-0.0756) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : B 4 GLN : amide:sc= 0.842 K(o=0.84,f=0) USER MOD Single : B 5 HIS : no HD1:sc=-0.00516 K(o=-0.0052,f=-0.8) 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=-0.0041) 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 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 173:sc= 1.21 (180deg=1.15) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.00384 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.264 -0.057 13.857 1.00 0.00 N ATOM 2 CA GLY A 1 6.195 -0.939 12.669 1.00 0.00 C ATOM 3 C GLY A 1 5.818 -0.169 11.411 1.00 0.00 C ATOM 4 O GLY A 1 5.969 1.053 11.353 1.00 0.00 O ATOM 0 H1 GLY A 1 7.086 -0.320 14.437 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.359 0.932 13.550 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.396 -0.163 14.419 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.159 -1.425 12.522 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.464 -1.728 12.845 1.00 0.00 H new ATOM 10 N ILE A 2 5.325 -0.879 10.390 1.00 0.00 N ATOM 11 CA ILE A 2 4.869 -0.294 9.113 1.00 0.00 C ATOM 12 C ILE A 2 3.478 0.364 9.211 1.00 0.00 C ATOM 13 O ILE A 2 2.770 0.221 10.212 1.00 0.00 O ATOM 14 CB ILE A 2 4.965 -1.321 7.955 1.00 0.00 C ATOM 15 CG1 ILE A 2 4.257 -2.680 8.160 1.00 0.00 C ATOM 16 CG2 ILE A 2 6.443 -1.591 7.629 1.00 0.00 C ATOM 17 CD1 ILE A 2 2.740 -2.620 8.381 1.00 0.00 C ATOM 0 H ILE A 2 5.228 -1.894 10.423 1.00 0.00 H new ATOM 0 HA ILE A 2 5.554 0.521 8.879 1.00 0.00 H new ATOM 0 HB ILE A 2 4.425 -0.841 7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.453 -3.305 7.289 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.710 -3.178 9.017 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.510 -2.313 6.815 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.925 -0.661 7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.943 -1.991 8.511 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.351 -3.630 8.513 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.525 -2.029 9.271 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.264 -2.158 7.516 1.00 0.00 H new ATOM 29 N VAL A 3 3.084 1.088 8.158 1.00 0.00 N ATOM 30 CA VAL A 3 1.764 1.729 7.997 1.00 0.00 C ATOM 31 C VAL A 3 1.177 1.453 6.610 1.00 0.00 C ATOM 32 O VAL A 3 1.909 1.285 5.636 1.00 0.00 O ATOM 33 CB VAL A 3 1.819 3.251 8.262 1.00 0.00 C ATOM 34 CG1 VAL A 3 2.080 3.553 9.741 1.00 0.00 C ATOM 35 CG2 VAL A 3 2.877 3.981 7.420 1.00 0.00 C ATOM 0 H VAL A 3 3.697 1.253 7.360 1.00 0.00 H new ATOM 0 HA VAL A 3 1.109 1.285 8.747 1.00 0.00 H new ATOM 0 HB VAL A 3 0.837 3.623 7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.113 4.632 9.892 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.280 3.126 10.346 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.033 3.116 10.039 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.860 5.045 7.657 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.864 3.575 7.644 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.659 3.842 6.361 1.00 0.00 H new ATOM 45 N GLU A 4 -0.150 1.436 6.490 1.00 0.00 N ATOM 46 CA GLU A 4 -0.884 1.139 5.245 1.00 0.00 C ATOM 47 C GLU A 4 -0.956 2.367 4.298 1.00 0.00 C ATOM 48 O GLU A 4 -2.024 2.729 3.799 1.00 0.00 O ATOM 49 CB GLU A 4 -2.259 0.551 5.629 1.00 0.00 C ATOM 50 CG GLU A 4 -2.947 -0.244 4.510 1.00 0.00 C ATOM 51 CD GLU A 4 -4.331 -0.742 4.974 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.425 -1.857 5.542 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.339 -0.019 4.780 1.00 0.00 O1- ATOM 0 H GLU A 4 -0.769 1.634 7.276 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.348 0.394 4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.133 -0.099 6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.916 1.365 5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.057 0.383 3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.326 -1.093 4.224 1.00 0.00 H new ATOM 60 N GLN A 5 0.172 3.072 4.114 1.00 0.00 N ATOM 61 CA GLN A 5 0.212 4.419 3.521 1.00 0.00 C ATOM 62 C GLN A 5 1.227 4.596 2.374 1.00 0.00 C ATOM 63 O GLN A 5 0.824 4.615 1.215 1.00 0.00 O ATOM 64 CB GLN A 5 0.381 5.491 4.618 1.00 0.00 C ATOM 65 CG GLN A 5 -0.778 5.517 5.628 1.00 0.00 C ATOM 66 CD GLN A 5 -0.611 6.637 6.653 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.070 6.453 7.734 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.048 7.844 6.354 1.00 0.00 N ATOM 0 H GLN A 5 1.092 2.719 4.376 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.755 4.557 3.038 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.314 5.311 5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.466 6.471 4.148 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.721 5.648 5.097 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.833 4.558 6.143 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.502 8.014 5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.933 8.608 7.020 1.00 0.00 H new ATOM 77 N CYS A 6 2.516 4.812 2.670 1.00 0.00 N ATOM 78 CA CYS A 6 3.471 5.462 1.752 1.00 0.00 C ATOM 79 C CYS A 6 2.933 6.789 1.158 1.00 0.00 C ATOM 80 O CYS A 6 2.862 6.965 -0.062 1.00 0.00 O ATOM 81 CB CYS A 6 3.991 4.493 0.680 1.00 0.00 C ATOM 82 SG CYS A 6 4.912 3.044 1.254 1.00 0.00 S ATOM 0 H CYS A 6 2.932 4.539 3.560 1.00 0.00 H new ATOM 0 HA CYS A 6 4.333 5.745 2.356 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.138 4.143 0.098 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.632 5.054 -0.000 1.00 0.00 H new ATOM 87 N CYS A 7 2.524 7.716 2.036 1.00 0.00 N ATOM 88 CA CYS A 7 2.141 9.098 1.688 1.00 0.00 C ATOM 89 C CYS A 7 2.974 10.188 2.394 1.00 0.00 C ATOM 90 O CYS A 7 2.949 11.343 1.968 1.00 0.00 O ATOM 91 CB CYS A 7 0.628 9.282 1.883 1.00 0.00 C ATOM 92 SG CYS A 7 -0.329 8.845 0.406 1.00 0.00 S ATOM 0 H CYS A 7 2.447 7.523 3.035 1.00 0.00 H new ATOM 0 HA CYS A 7 2.379 9.240 0.634 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.297 8.667 2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.424 10.319 2.149 1.00 0.00 H new ATOM 97 N THR A 8 3.777 9.838 3.408 1.00 0.00 N ATOM 98 CA THR A 8 4.819 10.724 3.973 1.00 0.00 C ATOM 99 C THR A 8 5.983 10.908 2.984 1.00 0.00 C ATOM 100 O THR A 8 6.571 11.988 2.893 1.00 0.00 O ATOM 101 CB THR A 8 5.353 10.154 5.302 1.00 0.00 C ATOM 102 OG1 THR A 8 4.275 9.755 6.129 1.00 0.00 O ATOM 103 CG2 THR A 8 6.175 11.170 6.097 1.00 0.00 C ATOM 0 H THR A 8 3.726 8.928 3.866 1.00 0.00 H new ATOM 0 HA THR A 8 4.362 11.696 4.159 1.00 0.00 H new ATOM 0 HB THR A 8 5.991 9.313 5.032 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.624 9.393 6.970 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.524 10.712 7.022 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.032 11.488 5.504 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.555 12.035 6.332 1.00 0.00 H new ATOM 111 N SER A 9 6.283 9.862 2.206 1.00 0.00 N ATOM 112 CA SER A 9 7.268 9.828 1.115 1.00 0.00 C ATOM 113 C SER A 9 6.894 8.764 0.071 1.00 0.00 C ATOM 114 O SER A 9 6.062 7.887 0.329 1.00 0.00 O ATOM 115 CB SER A 9 8.673 9.555 1.675 1.00 0.00 C ATOM 116 OG SER A 9 8.726 8.317 2.370 1.00 0.00 O ATOM 0 H SER A 9 5.818 8.962 2.327 1.00 0.00 H new ATOM 0 HA SER A 9 7.267 10.801 0.624 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.396 9.546 0.859 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.961 10.363 2.347 1.00 0.00 H new ATOM 0 HG SER A 9 9.633 8.172 2.712 1.00 0.00 H new ATOM 122 N ILE A 10 7.503 8.833 -1.118 1.00 0.00 N ATOM 123 CA ILE A 10 7.351 7.823 -2.179 1.00 0.00 C ATOM 124 C ILE A 10 8.287 6.647 -1.861 1.00 0.00 C ATOM 125 O ILE A 10 9.505 6.748 -2.026 1.00 0.00 O ATOM 126 CB ILE A 10 7.602 8.443 -3.578 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.623 9.615 -3.813 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.443 7.380 -4.679 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.689 10.278 -5.193 1.00 0.00 C ATOM 0 H ILE A 10 8.124 9.600 -1.377 1.00 0.00 H new ATOM 0 HA ILE A 10 6.328 7.448 -2.209 1.00 0.00 H new ATOM 0 HB ILE A 10 8.624 8.821 -3.617 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.608 9.252 -3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.811 10.377 -3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.623 7.835 -5.653 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.161 6.577 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.432 6.974 -4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.959 11.086 -5.244 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.688 10.681 -5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.467 9.539 -5.963 1.00 0.00 H new ATOM 141 N CYS A 11 7.724 5.545 -1.355 1.00 0.00 N ATOM 142 CA CYS A 11 8.496 4.407 -0.848 1.00 0.00 C ATOM 143 C CYS A 11 8.983 3.457 -1.961 1.00 0.00 C ATOM 144 O CYS A 11 8.338 3.295 -3.001 1.00 0.00 O ATOM 145 CB CYS A 11 7.699 3.696 0.256 1.00 0.00 C ATOM 146 SG CYS A 11 6.240 2.752 -0.267 1.00 0.00 S ATOM 0 H CYS A 11 6.714 5.417 -1.285 1.00 0.00 H new ATOM 0 HA CYS A 11 9.417 4.789 -0.408 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.373 3.017 0.778 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.377 4.445 0.979 1.00 0.00 H new ATOM 151 N SER A 12 10.133 2.819 -1.733 1.00 0.00 N ATOM 152 CA SER A 12 10.731 1.822 -2.633 1.00 0.00 C ATOM 153 C SER A 12 10.022 0.465 -2.539 1.00 0.00 C ATOM 154 O SER A 12 9.487 0.096 -1.490 1.00 0.00 O ATOM 155 CB SER A 12 12.227 1.682 -2.323 1.00 0.00 C ATOM 156 OG SER A 12 12.828 0.693 -3.145 1.00 0.00 O ATOM 0 H SER A 12 10.692 2.984 -0.896 1.00 0.00 H new ATOM 0 HA SER A 12 10.607 2.171 -3.658 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.725 2.639 -2.477 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.361 1.418 -1.274 1.00 0.00 H new ATOM 0 HG SER A 12 13.782 0.624 -2.930 1.00 0.00 H new ATOM 162 N LEU A 13 10.080 -0.332 -3.609 1.00 0.00 N ATOM 163 CA LEU A 13 9.575 -1.710 -3.617 1.00 0.00 C ATOM 164 C LEU A 13 10.314 -2.607 -2.602 1.00 0.00 C ATOM 165 O LEU A 13 9.712 -3.527 -2.054 1.00 0.00 O ATOM 166 CB LEU A 13 9.676 -2.293 -5.037 1.00 0.00 C ATOM 167 CG LEU A 13 8.931 -1.511 -6.140 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.072 -2.246 -7.473 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.439 -1.336 -5.849 1.00 0.00 C ATOM 0 H LEU A 13 10.481 -0.039 -4.500 1.00 0.00 H new ATOM 0 HA LEU A 13 8.529 -1.685 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.729 -2.354 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.292 -3.313 -5.019 1.00 0.00 H new ATOM 0 HG LEU A 13 9.385 -0.521 -6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.546 -1.693 -8.251 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.127 -2.325 -7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.644 -3.245 -7.385 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.973 -0.779 -6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.968 -2.315 -5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.312 -0.789 -4.915 1.00 0.00 H new ATOM 181 N TYR A 14 11.573 -2.298 -2.266 1.00 0.00 N ATOM 182 CA TYR A 14 12.297 -2.961 -1.173 1.00 0.00 C ATOM 183 C TYR A 14 11.635 -2.725 0.197 1.00 0.00 C ATOM 184 O TYR A 14 11.582 -3.627 1.036 1.00 0.00 O ATOM 185 CB TYR A 14 13.752 -2.467 -1.158 1.00 0.00 C ATOM 186 CG TYR A 14 14.549 -2.995 0.021 1.00 0.00 C ATOM 187 CD1 TYR A 14 15.084 -4.298 -0.016 1.00 0.00 C ATOM 188 CD2 TYR A 14 14.690 -2.211 1.184 1.00 0.00 C ATOM 189 CE1 TYR A 14 15.756 -4.819 1.108 1.00 0.00 C ATOM 190 CE2 TYR A 14 15.351 -2.732 2.311 1.00 0.00 C ATOM 191 CZ TYR A 14 15.889 -4.037 2.277 1.00 0.00 C ATOM 192 OH TYR A 14 16.512 -4.540 3.378 1.00 0.00 O ATOM 0 H TYR A 14 12.119 -1.581 -2.744 1.00 0.00 H new ATOM 0 HA TYR A 14 12.269 -4.036 -1.353 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.241 -2.769 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.759 -1.377 -1.135 1.00 0.00 H new ATOM 0 HD1 TYR A 14 14.979 -4.899 -0.907 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.290 -1.208 1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 14 16.169 -5.816 1.076 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.447 -2.133 3.204 1.00 0.00 H new ATOM 0 HH TYR A 14 16.514 -3.866 4.089 1.00 0.00 H new ATOM 202 N GLN A 15 11.077 -1.531 0.424 1.00 0.00 N ATOM 203 CA GLN A 15 10.339 -1.226 1.658 1.00 0.00 C ATOM 204 C GLN A 15 9.013 -1.988 1.688 1.00 0.00 C ATOM 205 O GLN A 15 8.613 -2.485 2.739 1.00 0.00 O ATOM 206 CB GLN A 15 10.079 0.281 1.801 1.00 0.00 C ATOM 207 CG GLN A 15 11.384 1.088 1.821 1.00 0.00 C ATOM 208 CD GLN A 15 11.128 2.586 1.925 1.00 0.00 C ATOM 209 OE1 GLN A 15 11.129 3.307 0.936 1.00 0.00 O ATOM 210 NE2 GLN A 15 10.876 3.115 3.104 1.00 0.00 N ATOM 0 H GLN A 15 11.122 -0.754 -0.235 1.00 0.00 H new ATOM 0 HA GLN A 15 10.956 -1.544 2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.454 0.621 0.975 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.523 0.468 2.720 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.996 0.766 2.663 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.953 0.880 0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.872 2.526 3.937 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.685 4.114 3.185 1.00 0.00 H new ATOM 219 N LEU A 16 8.371 -2.153 0.527 1.00 0.00 N ATOM 220 CA LEU A 16 7.171 -2.982 0.390 1.00 0.00 C ATOM 221 C LEU A 16 7.449 -4.475 0.663 1.00 0.00 C ATOM 222 O LEU A 16 6.675 -5.118 1.367 1.00 0.00 O ATOM 223 CB LEU A 16 6.515 -2.769 -0.981 1.00 0.00 C ATOM 224 CG LEU A 16 5.995 -1.355 -1.275 1.00 0.00 C ATOM 225 CD1 LEU A 16 5.160 -1.383 -2.552 1.00 0.00 C ATOM 226 CD2 LEU A 16 5.125 -0.769 -0.161 1.00 0.00 C ATOM 0 H LEU A 16 8.670 -1.715 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 16 6.467 -2.658 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.239 -3.034 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.682 -3.466 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 16 6.878 -0.723 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.788 -0.381 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.777 -1.726 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.318 -2.062 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.797 0.231 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.254 -1.406 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.703 -0.714 0.761 1.00 0.00 H new ATOM 238 N GLU A 17 8.586 -5.023 0.219 1.00 0.00 N ATOM 239 CA GLU A 17 9.005 -6.399 0.557 1.00 0.00 C ATOM 240 C GLU A 17 9.208 -6.628 2.070 1.00 0.00 C ATOM 241 O GLU A 17 9.142 -7.768 2.533 1.00 0.00 O ATOM 242 CB GLU A 17 10.298 -6.775 -0.188 1.00 0.00 C ATOM 243 CG GLU A 17 10.089 -7.022 -1.685 1.00 0.00 C ATOM 244 CD GLU A 17 11.394 -7.504 -2.349 1.00 0.00 C ATOM 245 OE1 GLU A 17 12.220 -6.659 -2.773 1.00 0.00 O ATOM 246 OE2 GLU A 17 11.606 -8.738 -2.454 1.00 0.00 O1- ATOM 0 H GLU A 17 9.245 -4.530 -0.384 1.00 0.00 H new ATOM 0 HA GLU A 17 8.184 -7.041 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.029 -5.977 -0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.722 -7.672 0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.306 -7.767 -1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.749 -6.105 -2.165 1.00 0.00 H new ATOM 253 N ASN A 18 9.410 -5.569 2.863 1.00 0.00 N ATOM 254 CA ASN A 18 9.535 -5.655 4.324 1.00 0.00 C ATOM 255 C ASN A 18 8.180 -5.738 5.068 1.00 0.00 C ATOM 256 O ASN A 18 8.174 -5.983 6.277 1.00 0.00 O ATOM 257 CB ASN A 18 10.445 -4.516 4.832 1.00 0.00 C ATOM 258 CG ASN A 18 11.923 -4.845 4.693 1.00 0.00 C ATOM 259 OD1 ASN A 18 12.566 -5.302 5.629 1.00 0.00 O ATOM 260 ND2 ASN A 18 12.524 -4.643 3.541 1.00 0.00 N ATOM 0 H ASN A 18 9.492 -4.617 2.505 1.00 0.00 H new ATOM 0 HA ASN A 18 10.010 -6.607 4.561 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.225 -3.605 4.276 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.218 -4.314 5.879 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.514 -4.867 3.436 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.001 -4.263 2.752 1.00 0.00 H new ATOM 267 N TYR A 19 7.032 -5.601 4.384 1.00 0.00 N ATOM 268 CA TYR A 19 5.705 -5.845 4.981 1.00 0.00 C ATOM 269 C TYR A 19 5.452 -7.349 5.184 1.00 0.00 C ATOM 270 O TYR A 19 4.933 -7.757 6.224 1.00 0.00 O ATOM 271 CB TYR A 19 4.587 -5.240 4.116 1.00 0.00 C ATOM 272 CG TYR A 19 4.466 -3.727 4.184 1.00 0.00 C ATOM 273 CD1 TYR A 19 5.468 -2.908 3.638 1.00 0.00 C ATOM 274 CD2 TYR A 19 3.346 -3.135 4.798 1.00 0.00 C ATOM 275 CE1 TYR A 19 5.362 -1.508 3.694 1.00 0.00 C ATOM 276 CE2 TYR A 19 3.230 -1.733 4.857 1.00 0.00 C ATOM 277 CZ TYR A 19 4.235 -0.913 4.295 1.00 0.00 C ATOM 278 OH TYR A 19 4.145 0.442 4.353 1.00 0.00 O ATOM 0 H TYR A 19 6.996 -5.319 3.404 1.00 0.00 H new ATOM 0 HA TYR A 19 5.696 -5.357 5.955 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.755 -5.529 3.079 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.636 -5.679 4.419 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.330 -3.360 3.170 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.574 -3.758 5.225 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.143 -0.889 3.277 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.371 -1.283 5.333 1.00 0.00 H new ATOM 0 HH TYR A 19 3.309 0.696 4.796 1.00 0.00 H new ATOM 288 N CYS A 20 5.863 -8.184 4.222 1.00 0.00 N ATOM 289 CA CYS A 20 5.770 -9.641 4.301 1.00 0.00 C ATOM 290 C CYS A 20 6.999 -10.258 4.979 1.00 0.00 C ATOM 291 O CYS A 20 7.927 -10.787 4.362 1.00 0.00 O ATOM 292 CB CYS A 20 5.443 -10.248 2.944 1.00 0.00 C ATOM 293 SG CYS A 20 6.372 -9.682 1.487 1.00 0.00 S ATOM 0 H CYS A 20 6.278 -7.855 3.350 1.00 0.00 H new ATOM 0 HA CYS A 20 4.931 -9.893 4.950 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.578 -11.327 3.023 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.385 -10.073 2.750 1.00 0.00 H new ATOM 298 N ASN A 21 6.969 -10.164 6.301 1.00 0.00 N ATOM 299 CA ASN A 21 8.006 -10.631 7.224 1.00 0.00 C ATOM 300 C ASN A 21 8.014 -12.168 7.351 1.00 0.00 C ATOM 301 O ASN A 21 7.009 -12.784 7.736 1.00 0.00 O ATOM 302 CB ASN A 21 7.816 -9.910 8.575 1.00 0.00 C ATOM 303 CG ASN A 21 8.903 -10.220 9.597 1.00 0.00 C ATOM 304 OD1 ASN A 21 9.872 -10.924 9.342 1.00 0.00 O ATOM 305 ND2 ASN A 21 8.780 -9.697 10.796 1.00 0.00 N ATOM 0 H ASN A 21 6.181 -9.738 6.789 1.00 0.00 H new ATOM 0 HA ASN A 21 8.992 -10.380 6.833 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.790 -8.834 8.401 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.848 -10.189 8.992 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.489 -9.878 11.507 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.976 -9.110 11.016 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 1.612 2.907 -8.007 1.00 0.00 N ATOM 314 CA PHE B 1 2.522 1.789 -7.736 1.00 0.00 C ATOM 315 C PHE B 1 3.995 2.145 -8.044 1.00 0.00 C ATOM 316 O PHE B 1 4.918 1.570 -7.463 1.00 0.00 O ATOM 317 CB PHE B 1 2.027 0.582 -8.556 1.00 0.00 C ATOM 318 CG PHE B 1 2.643 -0.789 -8.312 1.00 0.00 C ATOM 319 CD1 PHE B 1 3.418 -1.087 -7.171 1.00 0.00 C ATOM 320 CD2 PHE B 1 2.377 -1.813 -9.241 1.00 0.00 C ATOM 321 CE1 PHE B 1 3.938 -2.379 -6.981 1.00 0.00 C ATOM 322 CE2 PHE B 1 2.884 -3.109 -9.043 1.00 0.00 C ATOM 323 CZ PHE B 1 3.671 -3.393 -7.915 1.00 0.00 C ATOM 0 H1 PHE B 1 0.646 2.646 -7.722 1.00 0.00 H new ATOM 0 H2 PHE B 1 1.918 3.742 -7.468 1.00 0.00 H new ATOM 0 H3 PHE B 1 1.626 3.127 -9.023 1.00 0.00 H new ATOM 0 HA PHE B 1 2.509 1.546 -6.673 1.00 0.00 H new ATOM 0 HB2 PHE B 1 0.953 0.492 -8.391 1.00 0.00 H new ATOM 0 HB3 PHE B 1 2.169 0.822 -9.610 1.00 0.00 H new ATOM 0 HD1 PHE B 1 3.613 -0.317 -6.439 1.00 0.00 H new ATOM 0 HD2 PHE B 1 1.778 -1.601 -10.114 1.00 0.00 H new ATOM 0 HE1 PHE B 1 4.545 -2.593 -6.114 1.00 0.00 H new ATOM 0 HE2 PHE B 1 2.668 -3.888 -9.760 1.00 0.00 H new ATOM 0 HZ PHE B 1 4.069 -4.386 -7.767 1.00 0.00 H new ATOM 333 N VAL B 2 4.227 3.128 -8.919 1.00 0.00 N ATOM 334 CA VAL B 2 5.557 3.650 -9.280 1.00 0.00 C ATOM 335 C VAL B 2 5.504 5.164 -9.516 1.00 0.00 C ATOM 336 O VAL B 2 4.546 5.676 -10.097 1.00 0.00 O ATOM 337 CB VAL B 2 6.143 2.872 -10.481 1.00 0.00 C ATOM 338 CG1 VAL B 2 5.334 3.017 -11.777 1.00 0.00 C ATOM 339 CG2 VAL B 2 7.599 3.259 -10.761 1.00 0.00 C ATOM 0 H VAL B 2 3.471 3.601 -9.415 1.00 0.00 H new ATOM 0 HA VAL B 2 6.238 3.491 -8.444 1.00 0.00 H new ATOM 0 HB VAL B 2 6.089 1.828 -10.173 1.00 0.00 H new ATOM 0 HG11 VAL B 2 5.811 2.442 -12.570 1.00 0.00 H new ATOM 0 HG12 VAL B 2 4.322 2.645 -11.618 1.00 0.00 H new ATOM 0 HG13 VAL B 2 5.293 4.067 -12.065 1.00 0.00 H new ATOM 0 HG21 VAL B 2 7.970 2.688 -11.612 1.00 0.00 H new ATOM 0 HG22 VAL B 2 7.656 4.324 -10.986 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.209 3.040 -9.884 1.00 0.00 H new ATOM 349 N ASN B 3 6.526 5.887 -9.040 1.00 0.00 N ATOM 350 CA ASN B 3 6.649 7.355 -9.107 1.00 0.00 C ATOM 351 C ASN B 3 5.440 8.133 -8.522 1.00 0.00 C ATOM 352 O ASN B 3 5.174 9.270 -8.920 1.00 0.00 O ATOM 353 CB ASN B 3 7.057 7.783 -10.535 1.00 0.00 C ATOM 354 CG ASN B 3 8.404 7.243 -10.997 1.00 0.00 C ATOM 355 OD1 ASN B 3 9.225 6.751 -10.232 1.00 0.00 O ATOM 356 ND2 ASN B 3 8.690 7.333 -12.277 1.00 0.00 N ATOM 0 H ASN B 3 7.324 5.450 -8.578 1.00 0.00 H new ATOM 0 HA ASN B 3 7.454 7.647 -8.432 1.00 0.00 H new ATOM 0 HB2 ASN B 3 6.288 7.452 -11.233 1.00 0.00 H new ATOM 0 HB3 ASN B 3 7.081 8.872 -10.581 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.588 6.995 -12.624 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.014 7.741 -12.923 1.00 0.00 H new ATOM 363 N GLN B 4 4.711 7.536 -7.570 1.00 0.00 N ATOM 364 CA GLN B 4 3.583 8.152 -6.859 1.00 0.00 C ATOM 365 C GLN B 4 3.490 7.701 -5.392 1.00 0.00 C ATOM 366 O GLN B 4 3.931 6.608 -5.028 1.00 0.00 O ATOM 367 CB GLN B 4 2.250 7.871 -7.587 1.00 0.00 C ATOM 368 CG GLN B 4 1.862 6.381 -7.662 1.00 0.00 C ATOM 369 CD GLN B 4 0.374 6.182 -7.947 1.00 0.00 C ATOM 370 OE1 GLN B 4 -0.049 5.907 -9.063 1.00 0.00 O ATOM 371 NE2 GLN B 4 -0.478 6.313 -6.951 1.00 0.00 N ATOM 0 H GLN B 4 4.896 6.581 -7.264 1.00 0.00 H new ATOM 0 HA GLN B 4 3.770 9.226 -6.857 1.00 0.00 H new ATOM 0 HB2 GLN B 4 1.453 8.416 -7.081 1.00 0.00 H new ATOM 0 HB3 GLN B 4 2.314 8.268 -8.600 1.00 0.00 H new ATOM 0 HG2 GLN B 4 2.447 5.894 -8.442 1.00 0.00 H new ATOM 0 HG3 GLN B 4 2.118 5.894 -6.721 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -0.139 6.542 -6.017 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -1.477 6.186 -7.114 1.00 0.00 H new ATOM 380 N HIS B 5 2.842 8.519 -4.563 1.00 0.00 N ATOM 381 CA HIS B 5 2.371 8.142 -3.225 1.00 0.00 C ATOM 382 C HIS B 5 1.212 7.133 -3.317 1.00 0.00 C ATOM 383 O HIS B 5 0.498 7.102 -4.326 1.00 0.00 O ATOM 384 CB HIS B 5 1.961 9.413 -2.471 1.00 0.00 C ATOM 385 CG HIS B 5 3.040 10.469 -2.428 1.00 0.00 C ATOM 386 ND1 HIS B 5 3.258 11.438 -3.413 1.00 0.00 N ATOM 387 CD2 HIS B 5 4.002 10.593 -1.468 1.00 0.00 C ATOM 388 CE1 HIS B 5 4.341 12.126 -3.017 1.00 0.00 C ATOM 389 NE2 HIS B 5 4.793 11.658 -1.841 1.00 0.00 N ATOM 0 H HIS B 5 2.624 9.485 -4.806 1.00 0.00 H new ATOM 0 HA HIS B 5 3.173 7.649 -2.675 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.072 9.833 -2.942 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.685 9.146 -1.451 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.120 9.977 -0.589 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.787 12.942 -3.567 1.00 0.00 H new ATOM 0 HE2 HIS B 5 5.585 12.027 -1.315 1.00 0.00 H new ATOM 397 N LEU B 6 1.029 6.286 -2.295 1.00 0.00 N ATOM 398 CA LEU B 6 0.225 5.055 -2.415 1.00 0.00 C ATOM 399 C LEU B 6 -0.996 4.944 -1.475 1.00 0.00 C ATOM 400 O LEU B 6 -1.760 3.987 -1.600 1.00 0.00 O ATOM 401 CB LEU B 6 1.145 3.825 -2.266 1.00 0.00 C ATOM 402 CG LEU B 6 2.351 3.722 -3.215 1.00 0.00 C ATOM 403 CD1 LEU B 6 3.169 2.473 -2.882 1.00 0.00 C ATOM 404 CD2 LEU B 6 1.924 3.622 -4.677 1.00 0.00 C ATOM 0 H LEU B 6 1.429 6.430 -1.368 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.219 5.099 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.520 3.807 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.536 2.931 -2.398 1.00 0.00 H new ATOM 0 HG LEU B 6 2.940 4.629 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.022 2.406 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.525 2.535 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.544 1.587 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.808 3.551 -5.310 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.306 2.735 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.352 4.509 -4.950 1.00 0.00 H new ATOM 416 N CYS B 7 -1.215 5.872 -0.540 1.00 0.00 N ATOM 417 CA CYS B 7 -2.222 5.690 0.517 1.00 0.00 C ATOM 418 C CYS B 7 -3.655 5.543 -0.034 1.00 0.00 C ATOM 419 O CYS B 7 -4.052 6.209 -0.996 1.00 0.00 O ATOM 420 CB CYS B 7 -2.114 6.766 1.610 1.00 0.00 C ATOM 421 SG CYS B 7 -2.210 8.497 1.086 1.00 0.00 S ATOM 0 H CYS B 7 -0.711 6.757 -0.490 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.994 4.737 0.994 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.907 6.589 2.336 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.167 6.624 2.131 1.00 0.00 H new ATOM 426 N GLY B 8 -4.424 4.636 0.577 1.00 0.00 N ATOM 427 CA GLY B 8 -5.631 4.054 -0.022 1.00 0.00 C ATOM 428 C GLY B 8 -5.310 2.803 -0.854 1.00 0.00 C ATOM 429 O GLY B 8 -4.424 2.017 -0.501 1.00 0.00 O ATOM 0 H GLY B 8 -4.224 4.281 1.512 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -6.339 3.795 0.766 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -6.117 4.797 -0.655 1.00 0.00 H new ATOM 433 N SER B 9 -6.040 2.598 -1.951 1.00 0.00 N ATOM 434 CA SER B 9 -6.019 1.349 -2.734 1.00 0.00 C ATOM 435 C SER B 9 -4.666 1.020 -3.380 1.00 0.00 C ATOM 436 O SER B 9 -4.332 -0.157 -3.516 1.00 0.00 O ATOM 437 CB SER B 9 -7.086 1.405 -3.834 1.00 0.00 C ATOM 438 OG SER B 9 -8.363 1.690 -3.278 1.00 0.00 O ATOM 0 H SER B 9 -6.674 3.301 -2.331 1.00 0.00 H new ATOM 0 HA SER B 9 -6.222 0.556 -2.015 1.00 0.00 H new ATOM 0 HB2 SER B 9 -6.823 2.170 -4.565 1.00 0.00 H new ATOM 0 HB3 SER B 9 -7.119 0.454 -4.365 1.00 0.00 H new ATOM 0 HG SER B 9 -9.031 1.724 -3.994 1.00 0.00 H new ATOM 444 N HIS B 10 -3.865 2.022 -3.762 1.00 0.00 N ATOM 445 CA HIS B 10 -2.600 1.813 -4.486 1.00 0.00 C ATOM 446 C HIS B 10 -1.555 1.044 -3.664 1.00 0.00 C ATOM 447 O HIS B 10 -0.846 0.211 -4.224 1.00 0.00 O ATOM 448 CB HIS B 10 -2.041 3.164 -4.960 1.00 0.00 C ATOM 449 CG HIS B 10 -2.920 3.879 -5.955 1.00 0.00 C ATOM 450 ND1 HIS B 10 -3.992 4.718 -5.637 1.00 0.00 N ATOM 451 CD2 HIS B 10 -2.789 3.828 -7.312 1.00 0.00 C ATOM 452 CE1 HIS B 10 -4.483 5.151 -6.810 1.00 0.00 C ATOM 453 NE2 HIS B 10 -3.778 4.634 -7.832 1.00 0.00 N ATOM 0 H HIS B 10 -4.074 3.003 -3.579 1.00 0.00 H new ATOM 0 HA HIS B 10 -2.822 1.187 -5.350 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -1.893 3.808 -4.093 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -1.060 3.002 -5.408 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -2.054 3.266 -7.869 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -5.324 5.819 -6.917 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -3.947 4.809 -8.823 1.00 0.00 H new ATOM 461 N LEU B 11 -1.489 1.255 -2.345 1.00 0.00 N ATOM 462 CA LEU B 11 -0.585 0.539 -1.433 1.00 0.00 C ATOM 463 C LEU B 11 -0.999 -0.934 -1.296 1.00 0.00 C ATOM 464 O LEU B 11 -0.150 -1.825 -1.316 1.00 0.00 O ATOM 465 CB LEU B 11 -0.563 1.301 -0.087 1.00 0.00 C ATOM 466 CG LEU B 11 0.412 0.840 1.015 1.00 0.00 C ATOM 467 CD1 LEU B 11 -0.142 -0.319 1.838 1.00 0.00 C ATOM 468 CD2 LEU B 11 1.807 0.491 0.498 1.00 0.00 C ATOM 0 H LEU B 11 -2.074 1.942 -1.870 1.00 0.00 H new ATOM 0 HA LEU B 11 0.430 0.515 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.344 2.347 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.570 1.265 0.328 1.00 0.00 H new ATOM 0 HG LEU B 11 0.516 1.710 1.663 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.584 -0.604 2.599 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.071 -0.012 2.319 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.335 -1.170 1.184 1.00 0.00 H new ATOM 0 HD21 LEU B 11 2.435 0.176 1.331 1.00 0.00 H new ATOM 0 HD22 LEU B 11 1.734 -0.319 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU B 11 2.248 1.367 0.022 1.00 0.00 H new ATOM 480 N VAL B 12 -2.305 -1.200 -1.228 1.00 0.00 N ATOM 481 CA VAL B 12 -2.857 -2.562 -1.157 1.00 0.00 C ATOM 482 C VAL B 12 -2.622 -3.311 -2.473 1.00 0.00 C ATOM 483 O VAL B 12 -2.131 -4.439 -2.450 1.00 0.00 O ATOM 484 CB VAL B 12 -4.353 -2.531 -0.778 1.00 0.00 C ATOM 485 CG1 VAL B 12 -4.929 -3.943 -0.640 1.00 0.00 C ATOM 486 CG2 VAL B 12 -4.577 -1.803 0.557 1.00 0.00 C ATOM 0 H VAL B 12 -3.019 -0.472 -1.220 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.333 -3.105 -0.371 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.859 -2.001 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.984 -3.881 -0.373 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.825 -4.472 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.388 -4.482 0.138 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.641 -1.799 0.795 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.030 -2.317 1.348 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.219 -0.777 0.476 1.00 0.00 H new ATOM 496 N GLU B 13 -2.871 -2.678 -3.625 1.00 0.00 N ATOM 497 CA GLU B 13 -2.562 -3.249 -4.946 1.00 0.00 C ATOM 498 C GLU B 13 -1.058 -3.505 -5.127 1.00 0.00 C ATOM 499 O GLU B 13 -0.677 -4.557 -5.644 1.00 0.00 O ATOM 500 CB GLU B 13 -3.040 -2.308 -6.066 1.00 0.00 C ATOM 501 CG GLU B 13 -4.566 -2.266 -6.232 1.00 0.00 C ATOM 502 CD GLU B 13 -5.113 -3.566 -6.854 1.00 0.00 C ATOM 503 OE1 GLU B 13 -5.135 -3.682 -8.105 1.00 0.00 O ATOM 504 OE2 GLU B 13 -5.537 -4.476 -6.102 1.00 0.00 O1- ATOM 0 H GLU B 13 -3.294 -1.751 -3.670 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.087 -4.202 -5.005 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -2.679 -1.301 -5.860 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -2.590 -2.622 -7.008 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.032 -2.104 -5.260 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -4.839 -1.419 -6.862 1.00 0.00 H new ATOM 511 N ALA B 14 -0.199 -2.588 -4.665 1.00 0.00 N ATOM 512 CA ALA B 14 1.246 -2.769 -4.696 1.00 0.00 C ATOM 513 C ALA B 14 1.681 -3.980 -3.854 1.00 0.00 C ATOM 514 O ALA B 14 2.399 -4.849 -4.347 1.00 0.00 O ATOM 515 CB ALA B 14 1.915 -1.471 -4.229 1.00 0.00 C ATOM 0 H ALA B 14 -0.494 -1.700 -4.259 1.00 0.00 H new ATOM 0 HA ALA B 14 1.565 -2.983 -5.716 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.998 -1.593 -4.247 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.630 -0.655 -4.894 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.593 -1.241 -3.213 1.00 0.00 H new ATOM 521 N LEU B 15 1.199 -4.105 -2.612 1.00 0.00 N ATOM 522 CA LEU B 15 1.545 -5.232 -1.740 1.00 0.00 C ATOM 523 C LEU B 15 0.951 -6.568 -2.210 1.00 0.00 C ATOM 524 O LEU B 15 1.615 -7.593 -2.080 1.00 0.00 O ATOM 525 CB LEU B 15 1.177 -4.897 -0.283 1.00 0.00 C ATOM 526 CG LEU B 15 2.153 -3.885 0.345 1.00 0.00 C ATOM 527 CD1 LEU B 15 1.649 -3.449 1.712 1.00 0.00 C ATOM 528 CD2 LEU B 15 3.534 -4.496 0.577 1.00 0.00 C ATOM 0 H LEU B 15 0.562 -3.432 -2.186 1.00 0.00 H new ATOM 0 HA LEU B 15 2.624 -5.378 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.165 -4.493 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.174 -5.812 0.309 1.00 0.00 H new ATOM 0 HG LEU B 15 2.220 -3.050 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.347 -2.734 2.146 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.670 -2.982 1.607 1.00 0.00 H new ATOM 0 HD13 LEU B 15 1.568 -4.319 2.364 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.192 -3.749 1.021 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.446 -5.349 1.250 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.950 -4.826 -0.375 1.00 0.00 H new ATOM 540 N TYR B 16 -0.212 -6.575 -2.866 1.00 0.00 N ATOM 541 CA TYR B 16 -0.760 -7.774 -3.517 1.00 0.00 C ATOM 542 C TYR B 16 0.073 -8.274 -4.718 1.00 0.00 C ATOM 543 O TYR B 16 -0.133 -9.402 -5.168 1.00 0.00 O ATOM 544 CB TYR B 16 -2.222 -7.527 -3.917 1.00 0.00 C ATOM 545 CG TYR B 16 -3.252 -7.490 -2.794 1.00 0.00 C ATOM 546 CD1 TYR B 16 -2.938 -7.863 -1.467 1.00 0.00 C ATOM 547 CD2 TYR B 16 -4.574 -7.121 -3.112 1.00 0.00 C ATOM 548 CE1 TYR B 16 -3.934 -7.885 -0.478 1.00 0.00 C ATOM 549 CE2 TYR B 16 -5.577 -7.144 -2.123 1.00 0.00 C ATOM 550 CZ TYR B 16 -5.261 -7.527 -0.801 1.00 0.00 C ATOM 551 OH TYR B 16 -6.235 -7.546 0.150 1.00 0.00 O ATOM 0 H TYR B 16 -0.803 -5.750 -2.963 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.711 -8.579 -2.783 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.271 -6.579 -4.452 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.516 -8.306 -4.621 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -1.924 -8.133 -1.212 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -4.820 -6.819 -4.119 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.685 -8.176 0.532 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -6.590 -6.868 -2.376 1.00 0.00 H new ATOM 0 HH TYR B 16 -7.087 -7.270 -0.248 1.00 0.00 H new ATOM 561 N LEU B 17 1.039 -7.486 -5.211 1.00 0.00 N ATOM 562 CA LEU B 17 1.959 -7.860 -6.296 1.00 0.00 C ATOM 563 C LEU B 17 3.419 -8.026 -5.824 1.00 0.00 C ATOM 564 O LEU B 17 4.131 -8.891 -6.335 1.00 0.00 O ATOM 565 CB LEU B 17 1.823 -6.824 -7.429 1.00 0.00 C ATOM 566 CG LEU B 17 0.436 -6.812 -8.110 1.00 0.00 C ATOM 567 CD1 LEU B 17 0.349 -5.653 -9.102 1.00 0.00 C ATOM 568 CD2 LEU B 17 0.147 -8.107 -8.876 1.00 0.00 C ATOM 0 H LEU B 17 1.207 -6.544 -4.856 1.00 0.00 H new ATOM 0 HA LEU B 17 1.679 -8.846 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU B 17 2.026 -5.832 -7.026 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.584 -7.024 -8.183 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.299 -6.705 -7.312 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -0.632 -5.653 -9.577 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.497 -4.711 -8.574 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.120 -5.767 -9.864 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.840 -8.046 -9.335 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.900 -8.247 -9.652 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.175 -8.951 -8.187 1.00 0.00 H new ATOM 580 N VAL B 18 3.858 -7.254 -4.822 1.00 0.00 N ATOM 581 CA VAL B 18 5.209 -7.325 -4.222 1.00 0.00 C ATOM 582 C VAL B 18 5.310 -8.433 -3.164 1.00 0.00 C ATOM 583 O VAL B 18 6.301 -9.162 -3.121 1.00 0.00 O ATOM 584 CB VAL B 18 5.595 -5.953 -3.628 1.00 0.00 C ATOM 585 CG1 VAL B 18 6.941 -5.968 -2.899 1.00 0.00 C ATOM 586 CG2 VAL B 18 5.708 -4.899 -4.735 1.00 0.00 C ATOM 0 H VAL B 18 3.271 -6.540 -4.390 1.00 0.00 H new ATOM 0 HA VAL B 18 5.915 -7.579 -5.012 1.00 0.00 H new ATOM 0 HB VAL B 18 4.803 -5.716 -2.918 1.00 0.00 H new ATOM 0 HG11 VAL B 18 7.153 -4.974 -2.506 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.902 -6.683 -2.077 1.00 0.00 H new ATOM 0 HG13 VAL B 18 7.728 -6.258 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.981 -3.939 -4.297 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.473 -5.202 -5.449 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.750 -4.805 -5.247 1.00 0.00 H new ATOM 596 N CYS B 19 4.269 -8.587 -2.340 1.00 0.00 N ATOM 597 CA CYS B 19 4.150 -9.594 -1.279 1.00 0.00 C ATOM 598 C CYS B 19 3.098 -10.689 -1.573 1.00 0.00 C ATOM 599 O CYS B 19 3.015 -11.672 -0.832 1.00 0.00 O ATOM 600 CB CYS B 19 3.859 -8.865 0.041 1.00 0.00 C ATOM 601 SG CYS B 19 5.292 -8.084 0.827 1.00 0.00 S ATOM 0 H CYS B 19 3.447 -7.985 -2.397 1.00 0.00 H new ATOM 0 HA CYS B 19 5.094 -10.136 -1.215 1.00 0.00 H new ATOM 0 HB2 CYS B 19 3.105 -8.100 -0.144 1.00 0.00 H new ATOM 0 HB3 CYS B 19 3.424 -9.577 0.742 1.00 0.00 H new ATOM 606 N GLY B 20 2.324 -10.558 -2.656 1.00 0.00 N ATOM 607 CA GLY B 20 1.296 -11.518 -3.080 1.00 0.00 C ATOM 608 C GLY B 20 -0.085 -11.287 -2.450 1.00 0.00 C ATOM 609 O GLY B 20 -0.219 -10.723 -1.364 1.00 0.00 O ATOM 0 H GLY B 20 2.397 -9.756 -3.282 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.199 -11.473 -4.165 1.00 0.00 H new ATOM 0 HA3 GLY B 20 1.632 -12.525 -2.831 1.00 0.00 H new ATOM 613 N GLU B 21 -1.135 -11.732 -3.145 1.00 0.00 N ATOM 614 CA GLU B 21 -2.546 -11.481 -2.790 1.00 0.00 C ATOM 615 C GLU B 21 -3.097 -12.358 -1.645 1.00 0.00 C ATOM 616 O GLU B 21 -4.225 -12.148 -1.191 1.00 0.00 O ATOM 617 CB GLU B 21 -3.419 -11.579 -4.055 1.00 0.00 C ATOM 618 CG GLU B 21 -3.489 -12.996 -4.648 1.00 0.00 C ATOM 619 CD GLU B 21 -4.379 -13.026 -5.906 1.00 0.00 C ATOM 620 OE1 GLU B 21 -5.614 -13.222 -5.779 1.00 0.00 O1- ATOM 621 OE2 GLU B 21 -3.852 -12.868 -7.034 1.00 0.00 O ATOM 0 H GLU B 21 -1.032 -12.291 -3.992 1.00 0.00 H new ATOM 0 HA GLU B 21 -2.586 -10.469 -2.386 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -4.428 -11.244 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.027 -10.897 -4.810 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -2.485 -13.338 -4.900 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -3.883 -13.687 -3.903 1.00 0.00 H new ATOM 628 N ARG B 22 -2.309 -13.324 -1.150 1.00 0.00 N ATOM 629 CA ARG B 22 -2.644 -14.233 -0.032 1.00 0.00 C ATOM 630 C ARG B 22 -2.486 -13.533 1.328 1.00 0.00 C ATOM 631 O ARG B 22 -1.680 -13.933 2.171 1.00 0.00 O ATOM 632 CB ARG B 22 -1.825 -15.534 -0.146 1.00 0.00 C ATOM 633 CG ARG B 22 -2.148 -16.323 -1.427 1.00 0.00 C ATOM 634 CD ARG B 22 -1.362 -17.640 -1.467 1.00 0.00 C ATOM 635 NE ARG B 22 -1.636 -18.399 -2.705 1.00 0.00 N ATOM 636 CZ ARG B 22 -2.616 -19.260 -2.921 1.00 0.00 C ATOM 637 NH1 ARG B 22 -3.509 -19.546 -2.015 1.00 0.00 N1+ ATOM 638 NH2 ARG B 22 -2.721 -19.858 -4.073 1.00 0.00 N ATOM 0 H ARG B 22 -1.380 -13.505 -1.531 1.00 0.00 H new ATOM 0 HA ARG B 22 -3.696 -14.509 -0.099 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.762 -15.293 -0.130 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -2.023 -16.161 0.723 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -3.217 -16.531 -1.472 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -1.903 -15.721 -2.302 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -0.295 -17.430 -1.397 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -1.625 -18.248 -0.601 1.00 0.00 H new ATOM 0 HE ARG B 22 -0.995 -18.240 -3.483 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -3.467 -19.099 -1.099 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -4.249 -20.216 -2.222 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -2.046 -19.663 -4.812 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -3.478 -20.522 -4.236 1.00 0.00 H new ATOM 652 N GLY B 23 -3.199 -12.421 1.503 1.00 0.00 N ATOM 653 CA GLY B 23 -3.037 -11.463 2.602 1.00 0.00 C ATOM 654 C GLY B 23 -1.769 -10.617 2.443 1.00 0.00 C ATOM 655 O GLY B 23 -1.857 -9.410 2.226 1.00 0.00 O ATOM 0 H GLY B 23 -3.939 -12.149 0.855 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.907 -10.808 2.643 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.998 -12.001 3.549 1.00 0.00 H new HETATM 659 N DHI B 24 -0.595 -11.254 2.519 1.00 0.00 N HETATM 660 CA DHI B 24 0.713 -10.660 2.179 1.00 0.00 C HETATM 661 C DHI B 24 1.097 -9.441 3.037 1.00 0.00 C HETATM 662 O DHI B 24 1.760 -8.527 2.547 1.00 0.00 O HETATM 663 CB DHI B 24 1.795 -11.745 2.239 1.00 0.00 C HETATM 664 CG DHI B 24 1.990 -12.344 3.607 1.00 0.00 C HETATM 665 ND1 DHI B 24 2.813 -11.842 4.618 1.00 0.00 N HETATM 666 CD2 DHI B 24 1.351 -13.455 4.062 1.00 0.00 C HETATM 667 CE1 DHI B 24 2.656 -12.676 5.663 1.00 0.00 C HETATM 668 NE2 DHI B 24 1.783 -13.653 5.355 1.00 0.00 N HETATM 0 HE2 DHI B 24 1.491 -14.410 5.973 1.00 0.00 H new HETATM 0 HE1 DHI B 24 3.164 -12.574 6.622 1.00 0.00 H new HETATM 0 HD2 DHI B 24 0.637 -14.068 3.512 1.00 0.00 H new HETATM 0 HD1 DHI B 24 3.409 -11.015 4.574 1.00 0.00 H new HETATM 0 HB3 DHI B 24 1.536 -12.540 1.540 1.00 0.00 H new HETATM 0 HB2 DHI B 24 2.740 -11.319 1.902 1.00 0.00 H new HETATM 0 HA DHI B 24 0.628 -10.270 1.165 1.00 0.00 H new ATOM 676 N PHE B 25 0.637 -9.403 4.293 1.00 0.00 N ATOM 677 CA PHE B 25 0.678 -8.230 5.175 1.00 0.00 C ATOM 678 C PHE B 25 0.899 -8.560 6.672 1.00 0.00 C ATOM 679 O PHE B 25 1.736 -7.917 7.304 1.00 0.00 O ATOM 680 CB PHE B 25 -0.600 -7.400 4.943 1.00 0.00 C ATOM 681 CG PHE B 25 -0.483 -5.941 5.332 1.00 0.00 C ATOM 682 CD1 PHE B 25 -0.647 -5.527 6.668 1.00 0.00 C ATOM 683 CD2 PHE B 25 -0.216 -4.986 4.334 1.00 0.00 C ATOM 684 CE1 PHE B 25 -0.530 -4.164 7.001 1.00 0.00 C ATOM 685 CE2 PHE B 25 -0.098 -3.627 4.667 1.00 0.00 C ATOM 686 CZ PHE B 25 -0.254 -3.213 6.002 1.00 0.00 C ATOM 0 H PHE B 25 0.211 -10.216 4.739 1.00 0.00 H new ATOM 0 HA PHE B 25 1.559 -7.646 4.909 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -0.871 -7.461 3.889 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -1.417 -7.849 5.508 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -0.862 -6.255 7.437 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -0.101 -5.300 3.307 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -0.653 -3.848 8.026 1.00 0.00 H new ATOM 0 HE2 PHE B 25 0.113 -2.899 3.897 1.00 0.00 H new ATOM 0 HZ PHE B 25 -0.162 -2.168 6.259 1.00 0.00 H new ATOM 696 N TYR B 26 0.244 -9.540 7.314 1.00 0.00 N ATOM 697 CA TYR B 26 -0.936 -10.321 6.907 1.00 0.00 C ATOM 698 C TYR B 26 -2.261 -9.602 7.215 1.00 0.00 C ATOM 699 O TYR B 26 -2.371 -8.846 8.183 1.00 0.00 O ATOM 700 CB TYR B 26 -0.903 -11.694 7.597 1.00 0.00 C ATOM 701 CG TYR B 26 -2.035 -12.619 7.178 1.00 0.00 C ATOM 702 CD1 TYR B 26 -1.973 -13.276 5.935 1.00 0.00 C ATOM 703 CD2 TYR B 26 -3.167 -12.792 8.005 1.00 0.00 C ATOM 704 CE1 TYR B 26 -3.025 -14.115 5.521 1.00 0.00 C ATOM 705 CE2 TYR B 26 -4.216 -13.639 7.598 1.00 0.00 C ATOM 706 CZ TYR B 26 -4.148 -14.306 6.354 1.00 0.00 C ATOM 707 OH TYR B 26 -5.151 -15.136 5.957 1.00 0.00 O ATOM 0 H TYR B 26 0.565 -9.838 8.235 1.00 0.00 H new ATOM 0 HA TYR B 26 -0.891 -10.443 5.825 1.00 0.00 H new ATOM 0 HB2 TYR B 26 0.049 -12.178 7.378 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -0.946 -11.549 8.676 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -1.114 -13.136 5.295 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -3.228 -12.274 8.951 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.972 -14.613 4.564 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.074 -13.779 8.238 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.849 -15.158 6.645 1.00 0.00 H new ATOM 717 N THR B 27 -3.279 -9.872 6.395 1.00 0.00 N ATOM 718 CA THR B 27 -4.679 -9.502 6.641 1.00 0.00 C ATOM 719 C THR B 27 -5.613 -10.584 6.061 1.00 0.00 C ATOM 720 O THR B 27 -5.394 -11.018 4.923 1.00 0.00 O ATOM 721 CB THR B 27 -4.990 -8.096 6.095 1.00 0.00 C ATOM 722 OG1 THR B 27 -6.312 -7.743 6.438 1.00 0.00 O ATOM 723 CG2 THR B 27 -4.833 -7.932 4.581 1.00 0.00 C ATOM 0 H THR B 27 -3.150 -10.369 5.514 1.00 0.00 H new ATOM 0 HA THR B 27 -4.853 -9.454 7.716 1.00 0.00 H new ATOM 0 HB THR B 27 -4.247 -7.444 6.554 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.512 -6.848 6.093 1.00 0.00 H new ATOM 0 HG21 THR B 27 -5.075 -6.907 4.299 1.00 0.00 H new ATOM 0 HG22 THR B 27 -3.805 -8.154 4.296 1.00 0.00 H new ATOM 0 HG23 THR B 27 -5.507 -8.618 4.069 1.00 0.00 H new ATOM 731 N PRO B 28 -6.614 -11.080 6.815 1.00 0.00 N ATOM 732 CA PRO B 28 -7.497 -12.157 6.366 1.00 0.00 C ATOM 733 C PRO B 28 -8.565 -11.681 5.365 1.00 0.00 C ATOM 734 O PRO B 28 -8.973 -10.514 5.359 1.00 0.00 O ATOM 735 CB PRO B 28 -8.114 -12.735 7.645 1.00 0.00 C ATOM 736 CG PRO B 28 -8.129 -11.545 8.603 1.00 0.00 C ATOM 737 CD PRO B 28 -6.893 -10.743 8.204 1.00 0.00 C ATOM 0 HA PRO B 28 -6.940 -12.912 5.811 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -9.118 -13.120 7.468 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -7.521 -13.560 8.039 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -9.040 -10.956 8.496 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -8.078 -11.868 9.643 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -7.071 -9.674 8.316 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -6.045 -10.993 8.842 1.00 0.00 H new ATOM 745 N LYS B 29 -9.049 -12.608 4.527 1.00 0.00 N ATOM 746 CA LYS B 29 -10.121 -12.368 3.544 1.00 0.00 C ATOM 747 C LYS B 29 -11.489 -12.182 4.227 1.00 0.00 C ATOM 748 O LYS B 29 -11.764 -12.804 5.257 1.00 0.00 O ATOM 749 CB LYS B 29 -10.148 -13.529 2.530 1.00 0.00 C ATOM 750 CG LYS B 29 -10.904 -13.177 1.234 1.00 0.00 C ATOM 751 CD LYS B 29 -11.044 -14.372 0.277 1.00 0.00 C ATOM 752 CE LYS B 29 -11.963 -15.490 0.798 1.00 0.00 C ATOM 753 NZ LYS B 29 -13.388 -15.071 0.875 1.00 0.00 N1+ ATOM 0 H LYS B 29 -8.701 -13.567 4.511 1.00 0.00 H new ATOM 0 HA LYS B 29 -9.912 -11.438 3.015 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -9.125 -13.812 2.282 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -10.616 -14.398 2.993 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.896 -12.804 1.488 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -10.381 -12.369 0.723 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -11.429 -14.015 -0.678 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.055 -14.789 0.086 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -11.878 -16.358 0.145 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -11.626 -15.801 1.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -13.979 -15.892 1.117 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -13.496 -14.339 1.606 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -13.687 -14.688 -0.044 1.00 0.00 H new ATOM 767 N THR B 30 -12.356 -11.363 3.625 1.00 0.00 N ATOM 768 CA THR B 30 -13.787 -11.225 3.975 1.00 0.00 C ATOM 769 C THR B 30 -14.590 -12.503 3.711 1.00 0.00 C ATOM 770 O THR B 30 -15.488 -12.818 4.524 1.00 0.00 O ATOM 771 CB THR B 30 -14.432 -10.052 3.227 1.00 0.00 C ATOM 772 OG1 THR B 30 -14.109 -10.099 1.852 1.00 0.00 O ATOM 773 CG2 THR B 30 -13.947 -8.707 3.777 1.00 0.00 C ATOM 774 OXT THR B 30 -14.323 -13.189 2.696 1.00 0.00 O1- ATOM 0 H THR B 30 -12.080 -10.755 2.854 1.00 0.00 H new ATOM 0 HA THR B 30 -13.814 -11.031 5.047 1.00 0.00 H new ATOM 0 HB THR B 30 -15.509 -10.141 3.368 1.00 0.00 H new ATOM 0 HG1 THR B 30 -14.531 -9.344 1.391 1.00 0.00 H new ATOM 0 HG21 THR B 30 -14.423 -7.896 3.226 1.00 0.00 H new ATOM 0 HG22 THR B 30 -14.208 -8.630 4.833 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.865 -8.637 3.665 1.00 0.00 H new TER 782 THR B 30