USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 458 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 10 LYS NZ :NH3+ 169:sc= 0.972 (180deg=0) USER MOD Set 1.2: A 54 ASN : amide:sc= 0.496 K(o=1.5,f=-5) USER MOD Set 2.1: A 35 CYS SG : rot 180:sc= -0.062 USER MOD Set 2.2: A 36 SER OG : rot 180:sc= 0.0662 USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0341 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -1.94! C(o=-1.9!,f=-4.8!) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0197 X(o=-0.02,f=-0.22) USER MOD Single : A 13 TYR OH : rot -144:sc= 1.27 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 41:sc= 0.257 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc=-0.00702 (180deg=-0.129) USER MOD Single : A 27 THR OG1 : rot -63:sc= 1.28 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -146:sc= -0.758 (180deg=-2.16!) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= 0.478 (180deg=0.261) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.442 K(o=-0.44,f=-3.8!) USER MOD Single : A 47 GLN : amide:sc= -0.54 K(o=-0.54,f=-3.9!) USER MOD Single : A 53 SER OG : rot -102:sc= 0.918 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.37 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.798 0.632 12.228 1.00 0.00 N ATOM 2 CA GLY A 1 -13.657 0.000 10.894 1.00 0.00 C ATOM 3 C GLY A 1 -12.212 -0.075 10.449 1.00 0.00 C ATOM 4 O GLY A 1 -11.400 0.764 10.833 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.033 -0.095 12.933 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.903 1.092 12.491 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.557 1.343 12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.080 -1.004 10.923 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.232 0.567 10.162 1.00 0.00 H new ATOM 8 N SER A 2 -11.889 -1.085 9.645 1.00 0.00 N ATOM 9 CA SER A 2 -10.543 -1.231 9.105 1.00 0.00 C ATOM 10 C SER A 2 -10.581 -1.231 7.580 1.00 0.00 C ATOM 11 O SER A 2 -9.580 -1.509 6.918 1.00 0.00 O ATOM 12 CB SER A 2 -9.906 -2.525 9.614 1.00 0.00 C ATOM 13 OG SER A 2 -9.914 -2.574 11.031 1.00 0.00 O ATOM 0 H SER A 2 -12.541 -1.813 9.354 1.00 0.00 H new ATOM 0 HA SER A 2 -9.941 -0.387 9.441 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.447 -3.382 9.214 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.881 -2.597 9.250 1.00 0.00 H new ATOM 0 HG SER A 2 -9.503 -3.411 11.332 1.00 0.00 H new ATOM 19 N LEU A 3 -11.747 -0.909 7.036 1.00 0.00 N ATOM 20 CA LEU A 3 -11.965 -0.913 5.596 1.00 0.00 C ATOM 21 C LEU A 3 -11.888 0.519 5.071 1.00 0.00 C ATOM 22 O LEU A 3 -12.468 1.429 5.668 1.00 0.00 O ATOM 23 CB LEU A 3 -13.337 -1.532 5.289 1.00 0.00 C ATOM 24 CG LEU A 3 -13.444 -2.328 3.982 1.00 0.00 C ATOM 25 CD1 LEU A 3 -14.802 -3.012 3.895 1.00 0.00 C ATOM 26 CD2 LEU A 3 -13.230 -1.430 2.776 1.00 0.00 C ATOM 0 H LEU A 3 -12.567 -0.638 7.579 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.197 -1.509 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.608 -2.190 6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.076 -0.731 5.264 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.662 -3.087 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.867 -3.574 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.922 -3.692 4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.591 -2.260 3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -13.311 -2.021 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.986 -0.645 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.239 -0.979 2.829 1.00 0.00 H new ATOM 38 N ASN A 4 -11.156 0.703 3.970 1.00 0.00 N ATOM 39 CA ASN A 4 -10.960 2.019 3.351 1.00 0.00 C ATOM 40 C ASN A 4 -10.137 2.920 4.259 1.00 0.00 C ATOM 41 O ASN A 4 -10.510 4.065 4.536 1.00 0.00 O ATOM 42 CB ASN A 4 -12.295 2.697 3.006 1.00 0.00 C ATOM 43 CG ASN A 4 -13.033 1.994 1.887 1.00 0.00 C ATOM 44 OD1 ASN A 4 -12.425 1.358 1.028 1.00 0.00 O ATOM 45 ND2 ASN A 4 -14.349 2.120 1.875 1.00 0.00 N ATOM 0 H ASN A 4 -10.681 -0.056 3.481 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.419 1.858 2.419 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -12.926 2.720 3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -12.109 3.732 2.720 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -14.897 1.681 1.135 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -14.817 2.656 2.606 1.00 0.00 H new ATOM 52 N MET A 5 -9.004 2.405 4.701 1.00 0.00 N ATOM 53 CA MET A 5 -8.143 3.126 5.626 1.00 0.00 C ATOM 54 C MET A 5 -7.040 3.858 4.865 1.00 0.00 C ATOM 55 O MET A 5 -6.285 3.245 4.114 1.00 0.00 O ATOM 56 CB MET A 5 -7.527 2.151 6.635 1.00 0.00 C ATOM 57 CG MET A 5 -7.509 2.675 8.060 1.00 0.00 C ATOM 58 SD MET A 5 -9.171 2.900 8.726 1.00 0.00 S ATOM 59 CE MET A 5 -8.803 3.434 10.394 1.00 0.00 C ATOM 0 H MET A 5 -8.656 1.484 4.433 1.00 0.00 H new ATOM 0 HA MET A 5 -8.743 3.861 6.162 1.00 0.00 H new ATOM 0 HB2 MET A 5 -8.085 1.215 6.609 1.00 0.00 H new ATOM 0 HB3 MET A 5 -6.506 1.922 6.329 1.00 0.00 H new ATOM 0 HG2 MET A 5 -6.957 1.981 8.693 1.00 0.00 H new ATOM 0 HG3 MET A 5 -6.976 3.626 8.089 1.00 0.00 H new ATOM 0 HE1 MET A 5 -9.734 3.613 10.932 1.00 0.00 H new ATOM 0 HE2 MET A 5 -8.231 2.660 10.906 1.00 0.00 H new ATOM 0 HE3 MET A 5 -8.220 4.354 10.361 1.00 0.00 H new ATOM 69 N PRO A 6 -6.950 5.186 5.026 1.00 0.00 N ATOM 70 CA PRO A 6 -5.908 5.989 4.393 1.00 0.00 C ATOM 71 C PRO A 6 -4.574 5.846 5.114 1.00 0.00 C ATOM 72 O PRO A 6 -4.495 6.021 6.331 1.00 0.00 O ATOM 73 CB PRO A 6 -6.424 7.431 4.513 1.00 0.00 C ATOM 74 CG PRO A 6 -7.786 7.340 5.131 1.00 0.00 C ATOM 75 CD PRO A 6 -7.848 6.016 5.834 1.00 0.00 C ATOM 0 HA PRO A 6 -5.726 5.681 3.363 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.757 8.033 5.130 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.472 7.910 3.535 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.950 8.159 5.831 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.563 7.412 4.370 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.512 6.089 6.868 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.861 5.615 5.856 1.00 0.00 H new ATOM 83 N ALA A 7 -3.524 5.543 4.364 1.00 0.00 N ATOM 84 CA ALA A 7 -2.221 5.291 4.959 1.00 0.00 C ATOM 85 C ALA A 7 -1.107 5.971 4.177 1.00 0.00 C ATOM 86 O ALA A 7 -1.081 5.938 2.946 1.00 0.00 O ATOM 87 CB ALA A 7 -1.972 3.797 5.063 1.00 0.00 C ATOM 0 H ALA A 7 -3.549 5.466 3.347 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.221 5.718 5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.993 3.621 5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.742 3.342 5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.001 3.353 4.068 1.00 0.00 H new ATOM 93 N TYR A 8 -0.188 6.579 4.911 1.00 0.00 N ATOM 94 CA TYR A 8 0.899 7.351 4.319 1.00 0.00 C ATOM 95 C TYR A 8 2.090 6.449 4.010 1.00 0.00 C ATOM 96 O TYR A 8 2.659 5.845 4.913 1.00 0.00 O ATOM 97 CB TYR A 8 1.324 8.460 5.286 1.00 0.00 C ATOM 98 CG TYR A 8 0.167 9.266 5.831 1.00 0.00 C ATOM 99 CD1 TYR A 8 -0.866 9.700 5.006 1.00 0.00 C ATOM 100 CD2 TYR A 8 0.107 9.592 7.180 1.00 0.00 C ATOM 101 CE1 TYR A 8 -1.921 10.432 5.513 1.00 0.00 C ATOM 102 CE2 TYR A 8 -0.945 10.324 7.692 1.00 0.00 C ATOM 103 CZ TYR A 8 -1.958 10.740 6.855 1.00 0.00 C ATOM 104 OH TYR A 8 -3.014 11.461 7.362 1.00 0.00 O ATOM 0 H TYR A 8 -0.172 6.553 5.931 1.00 0.00 H new ATOM 0 HA TYR A 8 0.549 7.794 3.386 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.870 8.015 6.118 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.014 9.131 4.775 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.842 9.461 3.953 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.898 9.267 7.840 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.715 10.762 4.859 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -0.974 10.570 8.743 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.888 11.592 8.325 1.00 0.00 H new ATOM 114 N VAL A 9 2.466 6.363 2.741 1.00 0.00 N ATOM 115 CA VAL A 9 3.563 5.492 2.320 1.00 0.00 C ATOM 116 C VAL A 9 4.864 5.869 3.023 1.00 0.00 C ATOM 117 O VAL A 9 5.336 7.002 2.912 1.00 0.00 O ATOM 118 CB VAL A 9 3.782 5.535 0.797 1.00 0.00 C ATOM 119 CG1 VAL A 9 4.959 4.658 0.409 1.00 0.00 C ATOM 120 CG2 VAL A 9 2.530 5.089 0.061 1.00 0.00 C ATOM 0 H VAL A 9 2.029 6.885 1.982 1.00 0.00 H new ATOM 0 HA VAL A 9 3.278 4.478 2.601 1.00 0.00 H new ATOM 0 HB VAL A 9 4.001 6.564 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.102 4.698 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.860 5.016 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.761 3.629 0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.707 5.127 -1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.281 4.068 0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.703 5.751 0.316 1.00 0.00 H new ATOM 130 N LYS A 10 5.440 4.902 3.729 1.00 0.00 N ATOM 131 CA LYS A 10 6.644 5.139 4.526 1.00 0.00 C ATOM 132 C LYS A 10 7.894 5.046 3.668 1.00 0.00 C ATOM 133 O LYS A 10 8.874 5.754 3.896 1.00 0.00 O ATOM 134 CB LYS A 10 6.761 4.127 5.672 1.00 0.00 C ATOM 135 CG LYS A 10 5.619 4.179 6.669 1.00 0.00 C ATOM 136 CD LYS A 10 5.924 3.383 7.932 1.00 0.00 C ATOM 137 CE LYS A 10 6.129 1.905 7.640 1.00 0.00 C ATOM 138 NZ LYS A 10 6.409 1.125 8.878 1.00 0.00 N ATOM 0 H LYS A 10 5.093 3.943 3.767 1.00 0.00 H new ATOM 0 HA LYS A 10 6.557 6.144 4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.815 3.123 5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.698 4.301 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.417 5.217 6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.714 3.788 6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.819 3.786 8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.105 3.502 8.642 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.240 1.505 7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.957 1.785 6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.358 0.108 8.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.360 1.359 9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.705 1.363 9.605 1.00 0.00 H new ATOM 152 N PHE A 11 7.854 4.167 2.686 1.00 0.00 N ATOM 153 CA PHE A 11 9.025 3.876 1.883 1.00 0.00 C ATOM 154 C PHE A 11 8.633 3.600 0.440 1.00 0.00 C ATOM 155 O PHE A 11 7.568 3.051 0.167 1.00 0.00 O ATOM 156 CB PHE A 11 9.791 2.706 2.513 1.00 0.00 C ATOM 157 CG PHE A 11 10.347 1.703 1.549 1.00 0.00 C ATOM 158 CD1 PHE A 11 11.545 1.937 0.901 1.00 0.00 C ATOM 159 CD2 PHE A 11 9.671 0.520 1.304 1.00 0.00 C ATOM 160 CE1 PHE A 11 12.064 1.010 0.019 1.00 0.00 C ATOM 161 CE2 PHE A 11 10.183 -0.412 0.425 1.00 0.00 C ATOM 162 CZ PHE A 11 11.381 -0.168 -0.218 1.00 0.00 C ATOM 0 H PHE A 11 7.020 3.641 2.425 1.00 0.00 H new ATOM 0 HA PHE A 11 9.685 4.743 1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.613 3.110 3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.125 2.189 3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.082 2.856 1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.735 0.325 1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 11 13.000 1.205 -0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.648 -1.332 0.240 1.00 0.00 H new ATOM 0 HZ PHE A 11 11.784 -0.897 -0.905 1.00 0.00 H new ATOM 172 N ASN A 12 9.506 4.001 -0.471 1.00 0.00 N ATOM 173 CA ASN A 12 9.248 3.888 -1.905 1.00 0.00 C ATOM 174 C ASN A 12 9.274 2.427 -2.345 1.00 0.00 C ATOM 175 O ASN A 12 10.338 1.855 -2.580 1.00 0.00 O ATOM 176 CB ASN A 12 10.285 4.695 -2.697 1.00 0.00 C ATOM 177 CG ASN A 12 10.019 4.695 -4.194 1.00 0.00 C ATOM 178 OD1 ASN A 12 9.310 5.559 -4.706 1.00 0.00 O ATOM 179 ND2 ASN A 12 10.598 3.740 -4.907 1.00 0.00 N ATOM 0 H ASN A 12 10.411 4.413 -0.242 1.00 0.00 H new ATOM 0 HA ASN A 12 8.256 4.292 -2.107 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.292 5.723 -2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.277 4.285 -2.510 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.462 3.704 -5.917 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.180 3.041 -4.446 1.00 0.00 H new ATOM 186 N TYR A 13 8.102 1.827 -2.434 1.00 0.00 N ATOM 187 CA TYR A 13 7.985 0.440 -2.840 1.00 0.00 C ATOM 188 C TYR A 13 7.736 0.377 -4.341 1.00 0.00 C ATOM 189 O TYR A 13 6.612 0.569 -4.804 1.00 0.00 O ATOM 190 CB TYR A 13 6.842 -0.225 -2.065 1.00 0.00 C ATOM 191 CG TYR A 13 6.693 -1.710 -2.311 1.00 0.00 C ATOM 192 CD1 TYR A 13 7.563 -2.619 -1.723 1.00 0.00 C ATOM 193 CD2 TYR A 13 5.670 -2.200 -3.112 1.00 0.00 C ATOM 194 CE1 TYR A 13 7.417 -3.978 -1.923 1.00 0.00 C ATOM 195 CE2 TYR A 13 5.518 -3.561 -3.323 1.00 0.00 C ATOM 196 CZ TYR A 13 6.397 -4.447 -2.723 1.00 0.00 C ATOM 197 OH TYR A 13 6.251 -5.806 -2.907 1.00 0.00 O ATOM 0 H TYR A 13 7.213 2.282 -2.229 1.00 0.00 H new ATOM 0 HA TYR A 13 8.908 -0.096 -2.617 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.000 -0.061 -0.999 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.907 0.269 -2.328 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.367 -2.257 -1.099 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.982 -1.510 -3.578 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.100 -4.671 -1.454 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.720 -3.928 -3.951 1.00 0.00 H new ATOM 0 HH TYR A 13 5.954 -5.982 -3.824 1.00 0.00 H new ATOM 207 N MET A 14 8.790 0.123 -5.103 1.00 0.00 N ATOM 208 CA MET A 14 8.675 0.112 -6.550 1.00 0.00 C ATOM 209 C MET A 14 8.247 -1.263 -7.032 1.00 0.00 C ATOM 210 O MET A 14 9.053 -2.191 -7.100 1.00 0.00 O ATOM 211 CB MET A 14 9.989 0.532 -7.213 1.00 0.00 C ATOM 212 CG MET A 14 9.855 0.752 -8.711 1.00 0.00 C ATOM 213 SD MET A 14 8.555 1.938 -9.117 1.00 0.00 S ATOM 214 CE MET A 14 8.667 1.974 -10.904 1.00 0.00 C ATOM 0 H MET A 14 9.725 -0.076 -4.746 1.00 0.00 H new ATOM 0 HA MET A 14 7.913 0.837 -6.836 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.347 1.450 -6.747 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.743 -0.234 -7.030 1.00 0.00 H new ATOM 0 HG2 MET A 14 10.805 1.107 -9.110 1.00 0.00 H new ATOM 0 HG3 MET A 14 9.641 -0.199 -9.198 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.923 2.665 -11.301 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.663 2.304 -11.200 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.483 0.975 -11.300 1.00 0.00 H new ATOM 224 N ALA A 15 6.965 -1.379 -7.347 1.00 0.00 N ATOM 225 CA ALA A 15 6.377 -2.640 -7.775 1.00 0.00 C ATOM 226 C ALA A 15 6.935 -3.093 -9.118 1.00 0.00 C ATOM 227 O ALA A 15 7.205 -2.272 -9.997 1.00 0.00 O ATOM 228 CB ALA A 15 4.866 -2.499 -7.860 1.00 0.00 C ATOM 0 H ALA A 15 6.304 -0.603 -7.313 1.00 0.00 H new ATOM 0 HA ALA A 15 6.634 -3.399 -7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.430 -3.445 -8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.470 -2.230 -6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.613 -1.720 -8.580 1.00 0.00 H new ATOM 234 N GLU A 16 7.105 -4.398 -9.271 1.00 0.00 N ATOM 235 CA GLU A 16 7.537 -4.974 -10.536 1.00 0.00 C ATOM 236 C GLU A 16 6.472 -5.926 -11.067 1.00 0.00 C ATOM 237 O GLU A 16 6.325 -6.100 -12.279 1.00 0.00 O ATOM 238 CB GLU A 16 8.870 -5.711 -10.375 1.00 0.00 C ATOM 239 CG GLU A 16 10.055 -4.791 -10.127 1.00 0.00 C ATOM 240 CD GLU A 16 11.374 -5.537 -10.121 1.00 0.00 C ATOM 241 OE1 GLU A 16 11.792 -6.024 -11.197 1.00 0.00 O ATOM 242 OE2 GLU A 16 11.995 -5.650 -9.045 1.00 0.00 O ATOM 0 H GLU A 16 6.949 -5.082 -8.530 1.00 0.00 H new ATOM 0 HA GLU A 16 7.680 -4.163 -11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.788 -6.414 -9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.060 -6.299 -11.273 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.080 -4.020 -10.897 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.924 -4.283 -9.172 1.00 0.00 H new ATOM 249 N ARG A 17 5.728 -6.529 -10.151 1.00 0.00 N ATOM 250 CA ARG A 17 4.635 -7.413 -10.512 1.00 0.00 C ATOM 251 C ARG A 17 3.417 -6.592 -10.904 1.00 0.00 C ATOM 252 O ARG A 17 3.283 -5.434 -10.504 1.00 0.00 O ATOM 253 CB ARG A 17 4.286 -8.334 -9.342 1.00 0.00 C ATOM 254 CG ARG A 17 5.377 -9.334 -9.002 1.00 0.00 C ATOM 255 CD ARG A 17 5.138 -9.983 -7.646 1.00 0.00 C ATOM 256 NE ARG A 17 3.818 -10.606 -7.545 1.00 0.00 N ATOM 257 CZ ARG A 17 3.584 -11.758 -6.911 1.00 0.00 C ATOM 258 NH1 ARG A 17 4.588 -12.433 -6.355 1.00 0.00 N ATOM 259 NH2 ARG A 17 2.340 -12.226 -6.824 1.00 0.00 N ATOM 0 H ARG A 17 5.865 -6.419 -9.146 1.00 0.00 H new ATOM 0 HA ARG A 17 4.944 -8.026 -11.359 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.077 -7.725 -8.462 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.370 -8.876 -9.579 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.419 -10.104 -9.772 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.344 -8.832 -9.000 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.906 -10.736 -7.467 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.241 -9.231 -6.864 1.00 0.00 H new ATOM 0 HE ARG A 17 3.029 -10.132 -7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.540 -12.071 -6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.405 -13.312 -5.872 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.569 -11.705 -7.241 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.159 -13.106 -6.340 1.00 0.00 H new ATOM 273 N GLU A 18 2.538 -7.190 -11.687 1.00 0.00 N ATOM 274 CA GLU A 18 1.330 -6.516 -12.137 1.00 0.00 C ATOM 275 C GLU A 18 0.325 -6.410 -10.990 1.00 0.00 C ATOM 276 O GLU A 18 -0.464 -5.465 -10.913 1.00 0.00 O ATOM 277 CB GLU A 18 0.727 -7.280 -13.319 1.00 0.00 C ATOM 278 CG GLU A 18 -0.530 -6.649 -13.892 1.00 0.00 C ATOM 279 CD GLU A 18 -1.040 -7.385 -15.108 1.00 0.00 C ATOM 280 OE1 GLU A 18 -1.549 -8.511 -14.956 1.00 0.00 O ATOM 281 OE2 GLU A 18 -0.943 -6.833 -16.226 1.00 0.00 O ATOM 0 H GLU A 18 2.637 -8.146 -12.027 1.00 0.00 H new ATOM 0 HA GLU A 18 1.580 -5.506 -12.462 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.475 -7.355 -14.108 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.497 -8.297 -13.001 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.307 -6.634 -13.127 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.324 -5.612 -14.158 1.00 0.00 H new ATOM 288 N ASP A 19 0.383 -7.381 -10.088 1.00 0.00 N ATOM 289 CA ASP A 19 -0.540 -7.452 -8.959 1.00 0.00 C ATOM 290 C ASP A 19 -0.029 -6.636 -7.771 1.00 0.00 C ATOM 291 O ASP A 19 -0.731 -6.470 -6.770 1.00 0.00 O ATOM 292 CB ASP A 19 -0.771 -8.917 -8.556 1.00 0.00 C ATOM 293 CG ASP A 19 0.505 -9.641 -8.164 1.00 0.00 C ATOM 294 OD1 ASP A 19 1.432 -9.733 -9.001 1.00 0.00 O ATOM 295 OD2 ASP A 19 0.581 -10.145 -7.029 1.00 0.00 O ATOM 0 H ASP A 19 1.066 -8.138 -10.116 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.491 -7.020 -9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.471 -8.951 -7.721 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.240 -9.445 -9.386 1.00 0.00 H new ATOM 300 N GLU A 20 1.185 -6.114 -7.893 1.00 0.00 N ATOM 301 CA GLU A 20 1.753 -5.254 -6.862 1.00 0.00 C ATOM 302 C GLU A 20 1.273 -3.816 -7.026 1.00 0.00 C ATOM 303 O GLU A 20 0.663 -3.464 -8.039 1.00 0.00 O ATOM 304 CB GLU A 20 3.276 -5.273 -6.907 1.00 0.00 C ATOM 305 CG GLU A 20 3.903 -6.538 -6.362 1.00 0.00 C ATOM 306 CD GLU A 20 5.420 -6.486 -6.414 1.00 0.00 C ATOM 307 OE1 GLU A 20 5.976 -6.239 -7.511 1.00 0.00 O ATOM 308 OE2 GLU A 20 6.060 -6.687 -5.364 1.00 0.00 O ATOM 0 H GLU A 20 1.795 -6.271 -8.695 1.00 0.00 H new ATOM 0 HA GLU A 20 1.417 -5.642 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.598 -5.138 -7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.655 -4.422 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.580 -6.689 -5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.549 -7.395 -6.935 1.00 0.00 H new ATOM 315 N LEU A 21 1.553 -2.993 -6.027 1.00 0.00 N ATOM 316 CA LEU A 21 1.225 -1.577 -6.084 1.00 0.00 C ATOM 317 C LEU A 21 2.491 -0.745 -5.860 1.00 0.00 C ATOM 318 O LEU A 21 3.169 -0.899 -4.845 1.00 0.00 O ATOM 319 CB LEU A 21 0.176 -1.248 -5.017 1.00 0.00 C ATOM 320 CG LEU A 21 -0.767 -0.087 -5.327 1.00 0.00 C ATOM 321 CD1 LEU A 21 -1.712 0.148 -4.167 1.00 0.00 C ATOM 322 CD2 LEU A 21 -0.011 1.191 -5.638 1.00 0.00 C ATOM 0 H LEU A 21 2.009 -3.284 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 21 0.816 -1.337 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.426 -2.140 -4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.695 -1.027 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.338 -0.363 -6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.378 0.978 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.302 -0.751 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.137 0.386 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.720 1.990 -5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.601 1.470 -4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.630 1.033 -6.505 1.00 0.00 H new ATOM 334 N SER A 22 2.809 0.125 -6.810 1.00 0.00 N ATOM 335 CA SER A 22 3.964 1.004 -6.681 1.00 0.00 C ATOM 336 C SER A 22 3.685 2.115 -5.667 1.00 0.00 C ATOM 337 O SER A 22 2.858 2.997 -5.905 1.00 0.00 O ATOM 338 CB SER A 22 4.329 1.592 -8.047 1.00 0.00 C ATOM 339 OG SER A 22 3.197 2.184 -8.668 1.00 0.00 O ATOM 0 H SER A 22 2.284 0.241 -7.677 1.00 0.00 H new ATOM 0 HA SER A 22 4.810 0.422 -6.316 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.114 2.339 -7.927 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.731 0.808 -8.688 1.00 0.00 H new ATOM 0 HG SER A 22 2.678 2.678 -7.999 1.00 0.00 H new ATOM 345 N LEU A 23 4.368 2.056 -4.532 1.00 0.00 N ATOM 346 CA LEU A 23 4.158 3.019 -3.464 1.00 0.00 C ATOM 347 C LEU A 23 5.247 4.081 -3.472 1.00 0.00 C ATOM 348 O LEU A 23 6.420 3.783 -3.692 1.00 0.00 O ATOM 349 CB LEU A 23 4.131 2.316 -2.106 1.00 0.00 C ATOM 350 CG LEU A 23 3.028 1.274 -1.935 1.00 0.00 C ATOM 351 CD1 LEU A 23 3.079 0.682 -0.539 1.00 0.00 C ATOM 352 CD2 LEU A 23 1.663 1.895 -2.203 1.00 0.00 C ATOM 0 H LEU A 23 5.074 1.348 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 23 3.196 3.503 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.094 1.832 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.020 3.070 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 23 3.188 0.474 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.288 -0.060 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.047 0.206 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.939 1.474 0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.888 1.139 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.491 2.712 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.632 2.280 -3.222 1.00 0.00 H new ATOM 364 N ILE A 24 4.855 5.318 -3.225 1.00 0.00 N ATOM 365 CA ILE A 24 5.783 6.430 -3.223 1.00 0.00 C ATOM 366 C ILE A 24 5.873 7.021 -1.834 1.00 0.00 C ATOM 367 O ILE A 24 4.877 7.523 -1.308 1.00 0.00 O ATOM 368 CB ILE A 24 5.334 7.546 -4.188 1.00 0.00 C ATOM 369 CG1 ILE A 24 5.206 7.012 -5.615 1.00 0.00 C ATOM 370 CG2 ILE A 24 6.289 8.736 -4.121 1.00 0.00 C ATOM 371 CD1 ILE A 24 6.509 6.526 -6.213 1.00 0.00 C ATOM 0 H ILE A 24 3.890 5.577 -3.021 1.00 0.00 H new ATOM 0 HA ILE A 24 6.750 6.046 -3.546 1.00 0.00 H new ATOM 0 HB ILE A 24 4.349 7.893 -3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.488 6.192 -5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.798 7.798 -6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.953 9.511 -4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.304 9.134 -3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.292 8.413 -4.399 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.332 6.164 -7.226 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.225 7.347 -6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.910 5.716 -5.603 1.00 0.00 H new ATOM 383 N LYS A 25 7.046 6.945 -1.230 1.00 0.00 N ATOM 384 CA LYS A 25 7.263 7.578 0.062 1.00 0.00 C ATOM 385 C LYS A 25 6.853 9.044 -0.021 1.00 0.00 C ATOM 386 O LYS A 25 7.388 9.804 -0.828 1.00 0.00 O ATOM 387 CB LYS A 25 8.731 7.455 0.488 1.00 0.00 C ATOM 388 CG LYS A 25 9.063 8.232 1.753 1.00 0.00 C ATOM 389 CD LYS A 25 10.493 7.994 2.202 1.00 0.00 C ATOM 390 CE LYS A 25 10.855 8.877 3.386 1.00 0.00 C ATOM 391 NZ LYS A 25 10.961 10.310 2.998 1.00 0.00 N ATOM 0 H LYS A 25 7.857 6.456 -1.608 1.00 0.00 H new ATOM 0 HA LYS A 25 6.654 7.074 0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.969 6.403 0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.367 7.808 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.910 9.297 1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.379 7.940 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.621 6.946 2.474 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.174 8.194 1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.101 8.767 4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.802 8.545 3.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.402 10.847 3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.544 10.395 2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.011 10.690 2.810 1.00 0.00 H new ATOM 405 N GLY A 26 5.902 9.434 0.810 1.00 0.00 N ATOM 406 CA GLY A 26 5.375 10.778 0.741 1.00 0.00 C ATOM 407 C GLY A 26 3.902 10.809 0.388 1.00 0.00 C ATOM 408 O GLY A 26 3.188 11.747 0.746 1.00 0.00 O ATOM 0 H GLY A 26 5.486 8.844 1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.525 11.273 1.700 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.935 11.346 -0.002 1.00 0.00 H new ATOM 412 N THR A 27 3.437 9.784 -0.309 1.00 0.00 N ATOM 413 CA THR A 27 2.056 9.750 -0.770 1.00 0.00 C ATOM 414 C THR A 27 1.164 8.969 0.189 1.00 0.00 C ATOM 415 O THR A 27 1.635 8.437 1.195 1.00 0.00 O ATOM 416 CB THR A 27 1.942 9.143 -2.182 1.00 0.00 C ATOM 417 OG1 THR A 27 2.435 7.794 -2.187 1.00 0.00 O ATOM 418 CG2 THR A 27 2.720 9.972 -3.191 1.00 0.00 C ATOM 0 H THR A 27 3.992 8.968 -0.567 1.00 0.00 H new ATOM 0 HA THR A 27 1.717 10.785 -0.804 1.00 0.00 H new ATOM 0 HB THR A 27 0.889 9.143 -2.464 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.387 7.793 -1.952 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.625 9.524 -4.180 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.322 10.987 -3.212 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.771 10.000 -2.905 1.00 0.00 H new ATOM 426 N LYS A 28 -0.122 8.905 -0.127 1.00 0.00 N ATOM 427 CA LYS A 28 -1.084 8.210 0.709 1.00 0.00 C ATOM 428 C LYS A 28 -1.913 7.245 -0.133 1.00 0.00 C ATOM 429 O LYS A 28 -2.363 7.597 -1.225 1.00 0.00 O ATOM 430 CB LYS A 28 -2.001 9.221 1.401 1.00 0.00 C ATOM 431 CG LYS A 28 -3.000 8.589 2.350 1.00 0.00 C ATOM 432 CD LYS A 28 -4.070 9.582 2.770 1.00 0.00 C ATOM 433 CE LYS A 28 -4.960 9.977 1.602 1.00 0.00 C ATOM 434 NZ LYS A 28 -5.980 10.981 2.000 1.00 0.00 N ATOM 0 H LYS A 28 -0.523 9.330 -0.963 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.545 7.641 1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.389 9.934 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.542 9.786 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.467 7.730 1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.480 8.217 3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.680 9.147 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.598 10.472 3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.346 10.382 0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.457 9.091 1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.567 11.225 1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.582 10.585 2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.506 11.837 2.352 1.00 0.00 H new ATOM 448 N VAL A 29 -2.106 6.031 0.365 1.00 0.00 N ATOM 449 CA VAL A 29 -2.915 5.044 -0.339 1.00 0.00 C ATOM 450 C VAL A 29 -4.172 4.719 0.461 1.00 0.00 C ATOM 451 O VAL A 29 -4.262 5.044 1.647 1.00 0.00 O ATOM 452 CB VAL A 29 -2.130 3.740 -0.625 1.00 0.00 C ATOM 453 CG1 VAL A 29 -0.763 4.068 -1.197 1.00 0.00 C ATOM 454 CG2 VAL A 29 -1.998 2.873 0.622 1.00 0.00 C ATOM 0 H VAL A 29 -1.716 5.707 1.250 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.192 5.484 -1.297 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.694 3.165 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.220 3.144 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.882 4.625 -2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.204 4.671 -0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.441 1.968 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.468 3.428 1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.990 2.602 0.984 1.00 0.00 H new ATOM 464 N ILE A 30 -5.140 4.103 -0.195 1.00 0.00 N ATOM 465 CA ILE A 30 -6.370 3.699 0.464 1.00 0.00 C ATOM 466 C ILE A 30 -6.392 2.188 0.641 1.00 0.00 C ATOM 467 O ILE A 30 -6.610 1.456 -0.325 1.00 0.00 O ATOM 468 CB ILE A 30 -7.613 4.118 -0.353 1.00 0.00 C ATOM 469 CG1 ILE A 30 -7.564 5.608 -0.684 1.00 0.00 C ATOM 470 CG2 ILE A 30 -8.889 3.779 0.403 1.00 0.00 C ATOM 471 CD1 ILE A 30 -7.739 6.516 0.518 1.00 0.00 C ATOM 0 H ILE A 30 -5.098 3.871 -1.187 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.401 4.196 1.434 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.610 3.560 -1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.609 5.832 -1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.343 5.833 -1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.753 4.081 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.931 2.705 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.898 4.308 1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.692 7.557 0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.706 6.323 0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.945 6.322 1.239 1.00 0.00 H new ATOM 483 N VAL A 31 -6.150 1.716 1.857 1.00 0.00 N ATOM 484 CA VAL A 31 -6.194 0.286 2.123 1.00 0.00 C ATOM 485 C VAL A 31 -7.637 -0.160 2.288 1.00 0.00 C ATOM 486 O VAL A 31 -8.272 0.117 3.306 1.00 0.00 O ATOM 487 CB VAL A 31 -5.415 -0.126 3.386 1.00 0.00 C ATOM 488 CG1 VAL A 31 -5.243 -1.636 3.417 1.00 0.00 C ATOM 489 CG2 VAL A 31 -4.068 0.569 3.470 1.00 0.00 C ATOM 0 H VAL A 31 -5.924 2.295 2.666 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.720 -0.197 1.268 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.993 0.187 4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.691 -1.921 4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.223 -2.114 3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.692 -1.958 2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.550 0.251 4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.468 0.307 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.217 1.648 3.497 1.00 0.00 H new ATOM 499 N MET A 32 -8.154 -0.837 1.285 1.00 0.00 N ATOM 500 CA MET A 32 -9.531 -1.276 1.302 1.00 0.00 C ATOM 501 C MET A 32 -9.655 -2.651 1.936 1.00 0.00 C ATOM 502 O MET A 32 -10.315 -2.818 2.958 1.00 0.00 O ATOM 503 CB MET A 32 -10.082 -1.298 -0.115 1.00 0.00 C ATOM 504 CG MET A 32 -10.157 0.081 -0.744 1.00 0.00 C ATOM 505 SD MET A 32 -10.320 0.023 -2.536 1.00 0.00 S ATOM 506 CE MET A 32 -8.911 -1.003 -2.944 1.00 0.00 C ATOM 0 H MET A 32 -7.638 -1.096 0.444 1.00 0.00 H new ATOM 0 HA MET A 32 -10.111 -0.574 1.902 1.00 0.00 H new ATOM 0 HB2 MET A 32 -9.454 -1.939 -0.733 1.00 0.00 H new ATOM 0 HB3 MET A 32 -11.078 -1.741 -0.105 1.00 0.00 H new ATOM 0 HG2 MET A 32 -11.005 0.621 -0.324 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.260 0.643 -0.483 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.493 -0.684 -3.899 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.154 -0.907 -2.166 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.227 -2.044 -3.016 1.00 0.00 H new ATOM 516 N GLU A 33 -8.990 -3.627 1.340 1.00 0.00 N ATOM 517 CA GLU A 33 -9.125 -5.009 1.763 1.00 0.00 C ATOM 518 C GLU A 33 -7.813 -5.526 2.342 1.00 0.00 C ATOM 519 O GLU A 33 -6.768 -5.471 1.691 1.00 0.00 O ATOM 520 CB GLU A 33 -9.571 -5.853 0.571 1.00 0.00 C ATOM 521 CG GLU A 33 -10.845 -5.327 -0.066 1.00 0.00 C ATOM 522 CD GLU A 33 -11.111 -5.912 -1.434 1.00 0.00 C ATOM 523 OE1 GLU A 33 -10.338 -5.619 -2.366 1.00 0.00 O ATOM 524 OE2 GLU A 33 -12.109 -6.645 -1.590 1.00 0.00 O ATOM 0 H GLU A 33 -8.349 -3.486 0.559 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.877 -5.077 2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.776 -5.872 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.728 -6.881 0.896 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.689 -5.549 0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.782 -4.242 -0.148 1.00 0.00 H new ATOM 531 N LYS A 34 -7.869 -6.016 3.573 1.00 0.00 N ATOM 532 CA LYS A 34 -6.677 -6.478 4.264 1.00 0.00 C ATOM 533 C LYS A 34 -6.719 -7.988 4.462 1.00 0.00 C ATOM 534 O LYS A 34 -7.728 -8.537 4.911 1.00 0.00 O ATOM 535 CB LYS A 34 -6.549 -5.782 5.623 1.00 0.00 C ATOM 536 CG LYS A 34 -6.521 -4.270 5.526 1.00 0.00 C ATOM 537 CD LYS A 34 -6.189 -3.638 6.866 1.00 0.00 C ATOM 538 CE LYS A 34 -6.062 -2.137 6.753 1.00 0.00 C ATOM 539 NZ LYS A 34 -5.784 -1.507 8.065 1.00 0.00 N ATOM 0 H LYS A 34 -8.730 -6.103 4.113 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.811 -6.230 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.384 -6.082 6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.638 -6.124 6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.783 -3.965 4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.489 -3.908 5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.967 -3.885 7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.257 -4.056 7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.261 -1.892 6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.982 -1.725 6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.871 -0.474 7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.466 -1.855 8.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.819 -1.749 8.369 1.00 0.00 H new ATOM 553 N CYS A 35 -5.632 -8.663 4.117 1.00 0.00 N ATOM 554 CA CYS A 35 -5.554 -10.100 4.310 1.00 0.00 C ATOM 555 C CYS A 35 -5.055 -10.413 5.720 1.00 0.00 C ATOM 556 O CYS A 35 -4.553 -9.533 6.424 1.00 0.00 O ATOM 557 CB CYS A 35 -4.636 -10.730 3.261 1.00 0.00 C ATOM 558 SG CYS A 35 -4.737 -12.534 3.169 1.00 0.00 S ATOM 0 H CYS A 35 -4.799 -8.241 3.706 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.550 -10.526 4.191 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.881 -10.314 2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.606 -10.446 3.479 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.925 -12.968 2.251 1.00 0.00 H new ATOM 564 N SER A 36 -5.178 -11.668 6.113 1.00 0.00 N ATOM 565 CA SER A 36 -4.862 -12.100 7.465 1.00 0.00 C ATOM 566 C SER A 36 -3.356 -12.224 7.714 1.00 0.00 C ATOM 567 O SER A 36 -2.935 -12.554 8.824 1.00 0.00 O ATOM 568 CB SER A 36 -5.555 -13.435 7.726 1.00 0.00 C ATOM 569 OG SER A 36 -5.527 -14.253 6.565 1.00 0.00 O ATOM 0 H SER A 36 -5.501 -12.419 5.503 1.00 0.00 H new ATOM 0 HA SER A 36 -5.223 -11.338 8.155 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.063 -13.950 8.551 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.587 -13.261 8.029 1.00 0.00 H new ATOM 0 HG SER A 36 -5.974 -15.104 6.754 1.00 0.00 H new ATOM 575 N ASP A 37 -2.543 -11.967 6.694 1.00 0.00 N ATOM 576 CA ASP A 37 -1.092 -12.090 6.840 1.00 0.00 C ATOM 577 C ASP A 37 -0.395 -10.736 6.731 1.00 0.00 C ATOM 578 O ASP A 37 -0.083 -10.110 7.744 1.00 0.00 O ATOM 579 CB ASP A 37 -0.516 -13.061 5.808 1.00 0.00 C ATOM 580 CG ASP A 37 0.990 -13.205 5.931 1.00 0.00 C ATOM 581 OD1 ASP A 37 1.460 -13.781 6.937 1.00 0.00 O ATOM 582 OD2 ASP A 37 1.709 -12.750 5.017 1.00 0.00 O ATOM 0 H ASP A 37 -2.856 -11.676 5.768 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.905 -12.487 7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.983 -14.038 5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.765 -12.712 4.806 1.00 0.00 H new ATOM 587 N GLY A 38 -0.161 -10.281 5.504 1.00 0.00 N ATOM 588 CA GLY A 38 0.555 -9.032 5.312 1.00 0.00 C ATOM 589 C GLY A 38 0.241 -8.360 3.989 1.00 0.00 C ATOM 590 O GLY A 38 0.464 -7.160 3.830 1.00 0.00 O ATOM 0 H GLY A 38 -0.451 -10.750 4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.308 -8.350 6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.627 -9.223 5.370 1.00 0.00 H new ATOM 594 N TRP A 39 -0.264 -9.128 3.032 1.00 0.00 N ATOM 595 CA TRP A 39 -0.639 -8.571 1.741 1.00 0.00 C ATOM 596 C TRP A 39 -1.957 -7.818 1.846 1.00 0.00 C ATOM 597 O TRP A 39 -3.005 -8.410 2.107 1.00 0.00 O ATOM 598 CB TRP A 39 -0.746 -9.667 0.679 1.00 0.00 C ATOM 599 CG TRP A 39 0.575 -10.247 0.280 1.00 0.00 C ATOM 600 CD1 TRP A 39 1.069 -11.474 0.613 1.00 0.00 C ATOM 601 CD2 TRP A 39 1.574 -9.616 -0.530 1.00 0.00 C ATOM 602 NE1 TRP A 39 2.311 -11.648 0.053 1.00 0.00 N ATOM 603 CE2 TRP A 39 2.645 -10.519 -0.652 1.00 0.00 C ATOM 604 CE3 TRP A 39 1.666 -8.374 -1.167 1.00 0.00 C ATOM 605 CZ2 TRP A 39 3.792 -10.221 -1.384 1.00 0.00 C ATOM 606 CZ3 TRP A 39 2.805 -8.078 -1.892 1.00 0.00 C ATOM 607 CH2 TRP A 39 3.856 -8.999 -1.996 1.00 0.00 C ATOM 0 H TRP A 39 -0.422 -10.131 3.125 1.00 0.00 H new ATOM 0 HA TRP A 39 0.143 -7.874 1.439 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -1.385 -10.466 1.056 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -1.236 -9.258 -0.205 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.559 -12.202 1.227 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.891 -12.482 0.146 1.00 0.00 H new ATOM 0 HE3 TRP A 39 0.861 -7.658 -1.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 4.603 -10.930 -1.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.886 -7.121 -2.386 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.733 -8.739 -2.570 1.00 0.00 H new ATOM 618 N TRP A 40 -1.892 -6.511 1.666 1.00 0.00 N ATOM 619 CA TRP A 40 -3.082 -5.680 1.674 1.00 0.00 C ATOM 620 C TRP A 40 -3.371 -5.171 0.274 1.00 0.00 C ATOM 621 O TRP A 40 -2.456 -4.756 -0.435 1.00 0.00 O ATOM 622 CB TRP A 40 -2.901 -4.496 2.626 1.00 0.00 C ATOM 623 CG TRP A 40 -2.962 -4.873 4.072 1.00 0.00 C ATOM 624 CD1 TRP A 40 -3.279 -6.094 4.589 1.00 0.00 C ATOM 625 CD2 TRP A 40 -2.719 -4.015 5.191 1.00 0.00 C ATOM 626 NE1 TRP A 40 -3.250 -6.052 5.959 1.00 0.00 N ATOM 627 CE2 TRP A 40 -2.911 -4.787 6.353 1.00 0.00 C ATOM 628 CE3 TRP A 40 -2.360 -2.674 5.325 1.00 0.00 C ATOM 629 CZ2 TRP A 40 -2.759 -4.259 7.628 1.00 0.00 C ATOM 630 CZ3 TRP A 40 -2.208 -2.151 6.593 1.00 0.00 C ATOM 631 CH2 TRP A 40 -2.407 -2.944 7.731 1.00 0.00 C ATOM 0 H TRP A 40 -1.023 -6.000 1.512 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.922 -6.283 2.018 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.941 -4.022 2.423 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.673 -3.754 2.420 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.519 -6.969 4.003 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.449 -6.835 6.582 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.204 -2.056 4.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.914 -4.867 8.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.931 -1.114 6.710 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.279 -2.506 8.710 1.00 0.00 H new ATOM 642 N ARG A 41 -4.630 -5.211 -0.131 1.00 0.00 N ATOM 643 CA ARG A 41 -5.003 -4.689 -1.430 1.00 0.00 C ATOM 644 C ARG A 41 -5.564 -3.286 -1.268 1.00 0.00 C ATOM 645 O ARG A 41 -6.688 -3.091 -0.793 1.00 0.00 O ATOM 646 CB ARG A 41 -6.009 -5.596 -2.149 1.00 0.00 C ATOM 647 CG ARG A 41 -6.264 -5.166 -3.591 1.00 0.00 C ATOM 648 CD ARG A 41 -6.925 -6.261 -4.417 1.00 0.00 C ATOM 649 NE ARG A 41 -8.321 -6.487 -4.052 1.00 0.00 N ATOM 650 CZ ARG A 41 -9.168 -7.220 -4.779 1.00 0.00 C ATOM 651 NH1 ARG A 41 -8.760 -7.797 -5.900 1.00 0.00 N ATOM 652 NH2 ARG A 41 -10.422 -7.373 -4.379 1.00 0.00 N ATOM 0 H ARG A 41 -5.401 -5.595 0.415 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.109 -4.656 -2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.639 -6.621 -2.140 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.951 -5.593 -1.601 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.898 -4.279 -3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.319 -4.885 -4.056 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.870 -5.996 -5.473 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.368 -7.189 -4.292 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.669 -6.061 -3.193 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.795 -7.682 -6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.411 -8.356 -6.452 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.740 -6.931 -3.516 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.070 -7.933 -4.934 1.00 0.00 H new ATOM 666 N GLY A 42 -4.759 -2.313 -1.645 1.00 0.00 N ATOM 667 CA GLY A 42 -5.154 -0.933 -1.528 1.00 0.00 C ATOM 668 C GLY A 42 -5.121 -0.241 -2.865 1.00 0.00 C ATOM 669 O GLY A 42 -4.643 -0.809 -3.845 1.00 0.00 O ATOM 0 H GLY A 42 -3.828 -2.458 -2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.159 -0.874 -1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.489 -0.419 -0.833 1.00 0.00 H new ATOM 673 N SER A 43 -5.638 0.970 -2.915 1.00 0.00 N ATOM 674 CA SER A 43 -5.645 1.737 -4.143 1.00 0.00 C ATOM 675 C SER A 43 -4.900 3.050 -3.968 1.00 0.00 C ATOM 676 O SER A 43 -5.130 3.798 -3.013 1.00 0.00 O ATOM 677 CB SER A 43 -7.085 1.971 -4.615 1.00 0.00 C ATOM 678 OG SER A 43 -7.239 3.208 -5.288 1.00 0.00 O ATOM 0 H SER A 43 -6.060 1.445 -2.117 1.00 0.00 H new ATOM 0 HA SER A 43 -5.124 1.166 -4.912 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.383 1.160 -5.279 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.755 1.942 -3.756 1.00 0.00 H new ATOM 0 HG SER A 43 -8.171 3.312 -5.571 1.00 0.00 H new ATOM 684 N TYR A 44 -3.972 3.283 -4.872 1.00 0.00 N ATOM 685 CA TYR A 44 -3.267 4.542 -4.963 1.00 0.00 C ATOM 686 C TYR A 44 -3.742 5.244 -6.227 1.00 0.00 C ATOM 687 O TYR A 44 -4.107 4.571 -7.189 1.00 0.00 O ATOM 688 CB TYR A 44 -1.755 4.286 -5.002 1.00 0.00 C ATOM 689 CG TYR A 44 -0.926 5.503 -5.335 1.00 0.00 C ATOM 690 CD1 TYR A 44 -0.636 6.455 -4.368 1.00 0.00 C ATOM 691 CD2 TYR A 44 -0.449 5.705 -6.624 1.00 0.00 C ATOM 692 CE1 TYR A 44 0.109 7.577 -4.678 1.00 0.00 C ATOM 693 CE2 TYR A 44 0.292 6.824 -6.943 1.00 0.00 C ATOM 694 CZ TYR A 44 0.568 7.757 -5.968 1.00 0.00 C ATOM 695 OH TYR A 44 1.301 8.879 -6.286 1.00 0.00 O ATOM 0 H TYR A 44 -3.684 2.597 -5.570 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.470 5.172 -4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.439 3.900 -4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.549 3.508 -5.738 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.997 6.317 -3.360 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.662 4.973 -7.389 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.331 8.309 -3.916 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.653 6.968 -7.951 1.00 0.00 H new ATOM 0 HH TYR A 44 1.547 8.851 -7.234 1.00 0.00 H new ATOM 705 N ASN A 45 -3.782 6.572 -6.216 1.00 0.00 N ATOM 706 CA ASN A 45 -4.230 7.333 -7.384 1.00 0.00 C ATOM 707 C ASN A 45 -3.397 6.963 -8.612 1.00 0.00 C ATOM 708 O ASN A 45 -2.298 7.481 -8.814 1.00 0.00 O ATOM 709 CB ASN A 45 -4.139 8.842 -7.112 1.00 0.00 C ATOM 710 CG ASN A 45 -4.768 9.696 -8.207 1.00 0.00 C ATOM 711 OD1 ASN A 45 -4.781 9.328 -9.382 1.00 0.00 O ATOM 712 ND2 ASN A 45 -5.294 10.852 -7.828 1.00 0.00 N ATOM 0 H ASN A 45 -3.512 7.145 -5.416 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.272 7.080 -7.581 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.629 9.062 -6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.091 9.121 -7.002 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.726 11.466 -8.518 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.267 11.127 -6.846 1.00 0.00 H new ATOM 719 N GLY A 46 -3.924 6.044 -9.411 1.00 0.00 N ATOM 720 CA GLY A 46 -3.221 5.575 -10.581 1.00 0.00 C ATOM 721 C GLY A 46 -3.313 4.071 -10.741 1.00 0.00 C ATOM 722 O GLY A 46 -3.582 3.574 -11.837 1.00 0.00 O ATOM 0 H GLY A 46 -4.837 5.613 -9.264 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.632 6.059 -11.467 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.173 5.868 -10.515 1.00 0.00 H new ATOM 726 N GLN A 47 -3.115 3.346 -9.645 1.00 0.00 N ATOM 727 CA GLN A 47 -3.096 1.887 -9.676 1.00 0.00 C ATOM 728 C GLN A 47 -3.557 1.290 -8.353 1.00 0.00 C ATOM 729 O GLN A 47 -3.299 1.837 -7.279 1.00 0.00 O ATOM 730 CB GLN A 47 -1.688 1.369 -10.007 1.00 0.00 C ATOM 731 CG GLN A 47 -1.369 1.344 -11.495 1.00 0.00 C ATOM 732 CD GLN A 47 -2.096 0.237 -12.238 1.00 0.00 C ATOM 733 OE1 GLN A 47 -3.185 -0.192 -11.846 1.00 0.00 O ATOM 734 NE2 GLN A 47 -1.506 -0.224 -13.329 1.00 0.00 N ATOM 0 H GLN A 47 -2.965 3.747 -8.719 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.790 1.574 -10.456 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.954 1.995 -9.499 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.580 0.361 -9.606 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.636 2.305 -11.935 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.294 1.219 -11.629 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.606 0.156 -13.621 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.952 -0.959 -13.878 1.00 0.00 H new ATOM 743 N VAL A 48 -4.248 0.166 -8.445 1.00 0.00 N ATOM 744 CA VAL A 48 -4.666 -0.589 -7.275 1.00 0.00 C ATOM 745 C VAL A 48 -3.842 -1.877 -7.207 1.00 0.00 C ATOM 746 O VAL A 48 -3.263 -2.295 -8.213 1.00 0.00 O ATOM 747 CB VAL A 48 -6.170 -0.951 -7.352 1.00 0.00 C ATOM 748 CG1 VAL A 48 -6.386 -2.125 -8.294 1.00 0.00 C ATOM 749 CG2 VAL A 48 -6.749 -1.252 -5.974 1.00 0.00 C ATOM 0 H VAL A 48 -4.535 -0.249 -9.332 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.507 0.021 -6.386 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.700 -0.084 -7.746 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.448 -2.367 -8.337 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.034 -1.861 -9.291 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.831 -2.990 -7.930 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.806 -1.502 -6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.216 -2.094 -5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.640 -0.376 -5.334 1.00 0.00 H new ATOM 759 N GLY A 49 -3.773 -2.504 -6.046 1.00 0.00 N ATOM 760 CA GLY A 49 -3.108 -3.784 -5.968 1.00 0.00 C ATOM 761 C GLY A 49 -2.621 -4.112 -4.575 1.00 0.00 C ATOM 762 O GLY A 49 -3.047 -3.489 -3.602 1.00 0.00 O ATOM 0 H GLY A 49 -4.159 -2.156 -5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.793 -4.564 -6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.261 -3.790 -6.654 1.00 0.00 H new ATOM 766 N TRP A 50 -1.730 -5.088 -4.480 1.00 0.00 N ATOM 767 CA TRP A 50 -1.285 -5.597 -3.190 1.00 0.00 C ATOM 768 C TRP A 50 0.027 -4.953 -2.760 1.00 0.00 C ATOM 769 O TRP A 50 0.919 -4.721 -3.580 1.00 0.00 O ATOM 770 CB TRP A 50 -1.107 -7.116 -3.257 1.00 0.00 C ATOM 771 CG TRP A 50 -2.346 -7.852 -3.675 1.00 0.00 C ATOM 772 CD1 TRP A 50 -2.727 -8.153 -4.951 1.00 0.00 C ATOM 773 CD2 TRP A 50 -3.366 -8.380 -2.818 1.00 0.00 C ATOM 774 NE1 TRP A 50 -3.918 -8.836 -4.939 1.00 0.00 N ATOM 775 CE2 TRP A 50 -4.331 -8.988 -3.642 1.00 0.00 C ATOM 776 CE3 TRP A 50 -3.557 -8.397 -1.432 1.00 0.00 C ATOM 777 CZ2 TRP A 50 -5.467 -9.608 -3.128 1.00 0.00 C ATOM 778 CZ3 TRP A 50 -4.686 -9.014 -0.923 1.00 0.00 C ATOM 779 CH2 TRP A 50 -5.627 -9.612 -1.768 1.00 0.00 C ATOM 0 H TRP A 50 -1.299 -5.545 -5.284 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.049 -5.347 -2.454 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -0.304 -7.348 -3.957 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.792 -7.479 -2.279 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -2.172 -7.892 -5.840 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -4.415 -9.175 -5.763 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.837 -7.937 -0.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.196 -10.069 -3.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.844 -9.034 0.145 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.497 -10.086 -1.339 1.00 0.00 H new ATOM 790 N PHE A 51 0.130 -4.658 -1.473 1.00 0.00 N ATOM 791 CA PHE A 51 1.372 -4.179 -0.890 1.00 0.00 C ATOM 792 C PHE A 51 1.493 -4.685 0.549 1.00 0.00 C ATOM 793 O PHE A 51 0.482 -4.937 1.210 1.00 0.00 O ATOM 794 CB PHE A 51 1.454 -2.641 -0.942 1.00 0.00 C ATOM 795 CG PHE A 51 0.520 -1.920 -0.002 1.00 0.00 C ATOM 796 CD1 PHE A 51 0.887 -1.704 1.315 1.00 0.00 C ATOM 797 CD2 PHE A 51 -0.715 -1.458 -0.432 1.00 0.00 C ATOM 798 CE1 PHE A 51 0.048 -1.043 2.185 1.00 0.00 C ATOM 799 CE2 PHE A 51 -1.561 -0.796 0.436 1.00 0.00 C ATOM 800 CZ PHE A 51 -1.180 -0.593 1.747 1.00 0.00 C ATOM 0 H PHE A 51 -0.639 -4.743 -0.808 1.00 0.00 H new ATOM 0 HA PHE A 51 2.206 -4.569 -1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.477 -2.339 -0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.243 -2.315 -1.961 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.845 -2.059 1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.018 -1.618 -1.456 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.351 -0.877 3.208 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.519 -0.438 0.090 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.843 -0.082 2.429 1.00 0.00 H new ATOM 810 N PRO A 52 2.726 -4.885 1.038 1.00 0.00 N ATOM 811 CA PRO A 52 2.973 -5.285 2.426 1.00 0.00 C ATOM 812 C PRO A 52 2.665 -4.162 3.419 1.00 0.00 C ATOM 813 O PRO A 52 3.037 -3.007 3.204 1.00 0.00 O ATOM 814 CB PRO A 52 4.468 -5.634 2.449 1.00 0.00 C ATOM 815 CG PRO A 52 4.877 -5.717 1.015 1.00 0.00 C ATOM 816 CD PRO A 52 3.972 -4.777 0.277 1.00 0.00 C ATOM 0 HA PRO A 52 2.331 -6.113 2.727 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.041 -4.873 2.978 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.643 -6.579 2.963 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.922 -5.433 0.889 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.775 -6.735 0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.359 -3.758 0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.840 -5.072 -0.764 1.00 0.00 H new ATOM 824 N SER A 53 2.004 -4.526 4.513 1.00 0.00 N ATOM 825 CA SER A 53 1.500 -3.572 5.501 1.00 0.00 C ATOM 826 C SER A 53 2.577 -2.621 6.039 1.00 0.00 C ATOM 827 O SER A 53 2.329 -1.428 6.212 1.00 0.00 O ATOM 828 CB SER A 53 0.898 -4.343 6.659 1.00 0.00 C ATOM 829 OG SER A 53 0.251 -5.521 6.206 1.00 0.00 O ATOM 0 H SER A 53 1.800 -5.499 4.743 1.00 0.00 H new ATOM 0 HA SER A 53 0.757 -2.953 4.998 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.680 -4.605 7.371 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.183 -3.712 7.188 1.00 0.00 H new ATOM 0 HG SER A 53 -0.718 -5.376 6.189 1.00 0.00 H new ATOM 835 N ASN A 54 3.774 -3.143 6.285 1.00 0.00 N ATOM 836 CA ASN A 54 4.810 -2.389 6.999 1.00 0.00 C ATOM 837 C ASN A 54 5.509 -1.355 6.102 1.00 0.00 C ATOM 838 O ASN A 54 6.594 -0.875 6.417 1.00 0.00 O ATOM 839 CB ASN A 54 5.831 -3.359 7.610 1.00 0.00 C ATOM 840 CG ASN A 54 6.769 -2.682 8.599 1.00 0.00 C ATOM 841 OD1 ASN A 54 6.419 -1.666 9.209 1.00 0.00 O ATOM 842 ND2 ASN A 54 7.955 -3.242 8.776 1.00 0.00 N ATOM 0 H ASN A 54 4.055 -4.082 6.003 1.00 0.00 H new ATOM 0 HA ASN A 54 4.320 -1.829 7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.301 -4.167 8.114 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.418 -3.812 6.811 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.618 -2.835 9.436 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.206 -4.081 8.253 1.00 0.00 H new ATOM 849 N TYR A 55 4.878 -0.984 4.998 1.00 0.00 N ATOM 850 CA TYR A 55 5.437 0.037 4.121 1.00 0.00 C ATOM 851 C TYR A 55 4.533 1.268 4.060 1.00 0.00 C ATOM 852 O TYR A 55 4.804 2.213 3.321 1.00 0.00 O ATOM 853 CB TYR A 55 5.701 -0.536 2.725 1.00 0.00 C ATOM 854 CG TYR A 55 6.783 -1.592 2.738 1.00 0.00 C ATOM 855 CD1 TYR A 55 7.981 -1.366 3.408 1.00 0.00 C ATOM 856 CD2 TYR A 55 6.608 -2.812 2.103 1.00 0.00 C ATOM 857 CE1 TYR A 55 8.975 -2.324 3.439 1.00 0.00 C ATOM 858 CE2 TYR A 55 7.600 -3.776 2.127 1.00 0.00 C ATOM 859 CZ TYR A 55 8.779 -3.527 2.801 1.00 0.00 C ATOM 860 OH TYR A 55 9.767 -4.486 2.836 1.00 0.00 O ATOM 0 H TYR A 55 3.986 -1.370 4.689 1.00 0.00 H new ATOM 0 HA TYR A 55 6.392 0.357 4.537 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.780 -0.966 2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.991 0.271 2.051 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.136 -0.424 3.913 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.684 -3.013 1.582 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.900 -2.130 3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.453 -4.719 1.621 1.00 0.00 H new ATOM 0 HH TYR A 55 9.472 -5.277 2.339 1.00 0.00 H new ATOM 870 N VAL A 56 3.469 1.267 4.869 1.00 0.00 N ATOM 871 CA VAL A 56 2.567 2.417 4.945 1.00 0.00 C ATOM 872 C VAL A 56 2.347 2.863 6.392 1.00 0.00 C ATOM 873 O VAL A 56 2.689 2.148 7.337 1.00 0.00 O ATOM 874 CB VAL A 56 1.196 2.137 4.298 1.00 0.00 C ATOM 875 CG1 VAL A 56 1.339 1.974 2.792 1.00 0.00 C ATOM 876 CG2 VAL A 56 0.543 0.912 4.920 1.00 0.00 C ATOM 0 H VAL A 56 3.214 0.488 5.476 1.00 0.00 H new ATOM 0 HA VAL A 56 3.058 3.214 4.386 1.00 0.00 H new ATOM 0 HB VAL A 56 0.547 2.992 4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.361 1.777 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.751 2.888 2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.007 1.140 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.423 0.735 4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.184 0.043 4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.399 1.079 5.987 1.00 0.00 H new ATOM 886 N THR A 57 1.788 4.053 6.545 1.00 0.00 N ATOM 887 CA THR A 57 1.503 4.636 7.846 1.00 0.00 C ATOM 888 C THR A 57 0.000 4.785 8.052 1.00 0.00 C ATOM 889 O THR A 57 -0.614 5.702 7.507 1.00 0.00 O ATOM 890 CB THR A 57 2.144 6.034 7.969 1.00 0.00 C ATOM 891 OG1 THR A 57 3.564 5.955 7.810 1.00 0.00 O ATOM 892 CG2 THR A 57 1.824 6.678 9.304 1.00 0.00 C ATOM 0 H THR A 57 1.517 4.647 5.761 1.00 0.00 H new ATOM 0 HA THR A 57 1.918 3.967 8.600 1.00 0.00 H new ATOM 0 HB THR A 57 1.723 6.651 7.176 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.952 6.851 7.889 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.292 7.661 9.355 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.744 6.784 9.407 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.206 6.052 10.111 1.00 0.00 H new ATOM 900 N GLU A 58 -0.590 3.887 8.823 1.00 0.00 N ATOM 901 CA GLU A 58 -1.994 4.014 9.174 1.00 0.00 C ATOM 902 C GLU A 58 -2.120 4.741 10.504 1.00 0.00 C ATOM 903 O GLU A 58 -2.593 5.875 10.577 1.00 0.00 O ATOM 904 CB GLU A 58 -2.667 2.647 9.284 1.00 0.00 C ATOM 905 CG GLU A 58 -2.729 1.877 7.983 1.00 0.00 C ATOM 906 CD GLU A 58 -3.694 0.721 8.061 1.00 0.00 C ATOM 907 OE1 GLU A 58 -3.471 -0.194 8.882 1.00 0.00 O ATOM 908 OE2 GLU A 58 -4.693 0.719 7.316 1.00 0.00 O ATOM 0 H GLU A 58 -0.123 3.069 9.215 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.490 4.579 8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.131 2.049 10.021 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.681 2.783 9.661 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.030 2.548 7.178 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.735 1.505 7.733 1.00 0.00 H new ATOM 915 N GLU A 59 -1.661 4.074 11.547 1.00 0.00 N ATOM 916 CA GLU A 59 -1.692 4.613 12.889 1.00 0.00 C ATOM 917 C GLU A 59 -0.506 4.073 13.670 1.00 0.00 C ATOM 918 O GLU A 59 -0.555 2.972 14.222 1.00 0.00 O ATOM 919 CB GLU A 59 -3.002 4.255 13.591 1.00 0.00 C ATOM 920 CG GLU A 59 -3.124 4.853 14.981 1.00 0.00 C ATOM 921 CD GLU A 59 -4.364 4.386 15.708 1.00 0.00 C ATOM 922 OE1 GLU A 59 -4.341 3.272 16.264 1.00 0.00 O ATOM 923 OE2 GLU A 59 -5.364 5.134 15.727 1.00 0.00 O ATOM 0 H GLU A 59 -1.255 3.140 11.484 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.630 5.700 12.838 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.838 4.598 12.981 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.083 3.170 13.662 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.243 4.587 15.565 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.140 5.940 14.905 1.00 0.00 H new ATOM 930 N GLY A 60 0.570 4.833 13.661 1.00 0.00 N ATOM 931 CA GLY A 60 1.777 4.426 14.346 1.00 0.00 C ATOM 932 C GLY A 60 2.878 5.439 14.160 1.00 0.00 C ATOM 933 O GLY A 60 4.062 5.113 14.229 1.00 0.00 O ATOM 0 H GLY A 60 0.632 5.734 13.187 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.570 4.301 15.409 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.103 3.457 13.968 1.00 0.00 H new ATOM 937 N ASP A 61 2.480 6.674 13.902 1.00 0.00 N ATOM 938 CA ASP A 61 3.422 7.758 13.713 1.00 0.00 C ATOM 939 C ASP A 61 3.139 8.860 14.717 1.00 0.00 C ATOM 940 O ASP A 61 3.941 9.025 15.659 1.00 0.00 O ATOM 941 CB ASP A 61 3.344 8.301 12.284 1.00 0.00 C ATOM 942 CG ASP A 61 4.370 9.382 12.024 1.00 0.00 C ATOM 943 OD1 ASP A 61 5.579 9.065 12.011 1.00 0.00 O ATOM 944 OD2 ASP A 61 3.975 10.547 11.813 1.00 0.00 O ATOM 0 H ASP A 61 1.501 6.949 13.819 1.00 0.00 H new ATOM 0 HA ASP A 61 4.432 7.380 13.874 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.494 7.484 11.578 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.346 8.699 12.103 1.00 0.00 H new TER 949 ASP A 61