USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 THR N :NH3+ -157:sc= -0.326 (180deg=-1.09) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 17 THR OG1 : rot -1:sc= 0.505 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -39:sc= 0.614 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -177:sc= 0 (180deg=-0.0139) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0351) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -22.133 -21.290 -17.497 1.00 0.00 N ATOM 2 CA THR A 1 -21.379 -20.768 -18.662 1.00 0.00 C ATOM 3 C THR A 1 -22.028 -19.592 -19.480 1.00 0.00 C ATOM 4 O THR A 1 -21.240 -18.720 -19.860 1.00 0.00 O ATOM 5 CB THR A 1 -20.754 -21.914 -19.514 1.00 0.00 C ATOM 6 OG1 THR A 1 -19.767 -21.373 -20.388 1.00 0.00 O ATOM 7 CG2 THR A 1 -21.717 -22.765 -20.359 1.00 0.00 C ATOM 0 H1 THR A 1 -21.476 -21.753 -16.837 1.00 0.00 H new ATOM 0 H2 THR A 1 -22.612 -20.504 -17.013 1.00 0.00 H new ATOM 0 H3 THR A 1 -22.840 -21.980 -17.822 1.00 0.00 H new ATOM 0 HA THR A 1 -20.547 -20.225 -18.213 1.00 0.00 H new ATOM 0 HB THR A 1 -20.348 -22.595 -18.766 1.00 0.00 H new ATOM 0 HG1 THR A 1 -19.373 -22.094 -20.923 1.00 0.00 H new ATOM 0 HG21 THR A 1 -21.152 -23.524 -20.901 1.00 0.00 H new ATOM 0 HG22 THR A 1 -22.443 -23.250 -19.706 1.00 0.00 H new ATOM 0 HG23 THR A 1 -22.240 -22.125 -21.070 1.00 0.00 H new ATOM 17 N PRO A 2 -23.353 -19.482 -19.811 1.00 0.00 N ATOM 18 CA PRO A 2 -23.870 -18.447 -20.746 1.00 0.00 C ATOM 19 C PRO A 2 -24.125 -17.091 -20.018 1.00 0.00 C ATOM 20 O PRO A 2 -25.038 -16.970 -19.194 1.00 0.00 O ATOM 21 CB PRO A 2 -25.160 -19.122 -21.286 1.00 0.00 C ATOM 22 CG PRO A 2 -25.655 -20.018 -20.147 1.00 0.00 C ATOM 23 CD PRO A 2 -24.382 -20.463 -19.425 1.00 0.00 C ATOM 0 HA PRO A 2 -23.181 -18.168 -21.543 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -25.910 -18.378 -21.555 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -24.953 -19.705 -22.183 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -26.322 -19.475 -19.477 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -26.213 -20.873 -20.529 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -24.527 -20.477 -18.345 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -24.094 -21.472 -19.721 1.00 0.00 H new ATOM 31 N ASP A 3 -23.286 -16.087 -20.332 1.00 0.00 N ATOM 32 CA ASP A 3 -23.331 -14.752 -19.673 1.00 0.00 C ATOM 33 C ASP A 3 -24.212 -13.791 -20.506 1.00 0.00 C ATOM 34 O ASP A 3 -23.985 -13.589 -21.705 1.00 0.00 O ATOM 35 CB ASP A 3 -21.903 -14.173 -19.484 1.00 0.00 C ATOM 36 CG ASP A 3 -21.027 -14.928 -18.471 1.00 0.00 C ATOM 37 OD1 ASP A 3 -21.110 -14.632 -17.259 1.00 0.00 O ATOM 38 OD2 ASP A 3 -20.259 -15.825 -18.886 1.00 0.00 O ATOM 0 H ASP A 3 -22.560 -16.169 -21.043 1.00 0.00 H new ATOM 0 HA ASP A 3 -23.770 -14.865 -18.682 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -21.397 -14.171 -20.449 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -21.987 -13.134 -19.166 1.00 0.00 H new ATOM 43 N VAL A 4 -25.231 -13.222 -19.839 1.00 0.00 N ATOM 44 CA VAL A 4 -26.291 -12.406 -20.499 1.00 0.00 C ATOM 45 C VAL A 4 -26.568 -11.093 -19.705 1.00 0.00 C ATOM 46 O VAL A 4 -26.670 -10.044 -20.348 1.00 0.00 O ATOM 47 CB VAL A 4 -27.644 -13.171 -20.750 1.00 0.00 C ATOM 48 CG1 VAL A 4 -28.466 -12.502 -21.873 1.00 0.00 C ATOM 49 CG2 VAL A 4 -27.542 -14.681 -21.084 1.00 0.00 C ATOM 0 H VAL A 4 -25.352 -13.308 -18.830 1.00 0.00 H new ATOM 0 HA VAL A 4 -25.886 -12.169 -21.483 1.00 0.00 H new ATOM 0 HB VAL A 4 -28.132 -13.103 -19.778 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -29.394 -13.054 -22.022 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -28.696 -11.474 -21.593 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -27.889 -12.506 -22.798 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -28.542 -15.089 -21.234 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -26.956 -14.814 -21.993 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -27.057 -15.204 -20.260 1.00 0.00 H new ATOM 59 N SER A 5 -26.767 -11.151 -18.361 1.00 0.00 N ATOM 60 CA SER A 5 -27.307 -10.019 -17.561 1.00 0.00 C ATOM 61 C SER A 5 -26.233 -8.918 -17.342 1.00 0.00 C ATOM 62 O SER A 5 -25.441 -8.947 -16.395 1.00 0.00 O ATOM 63 CB SER A 5 -27.876 -10.551 -16.225 1.00 0.00 C ATOM 64 OG SER A 5 -28.980 -11.425 -16.443 1.00 0.00 O ATOM 0 H SER A 5 -26.559 -11.980 -17.804 1.00 0.00 H new ATOM 0 HA SER A 5 -28.120 -9.549 -18.114 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.094 -11.079 -15.679 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.190 -9.714 -15.602 1.00 0.00 H new ATOM 0 HG SER A 5 -29.318 -11.747 -15.581 1.00 0.00 H new ATOM 70 N SER A 6 -26.207 -7.983 -18.309 1.00 0.00 N ATOM 71 CA SER A 6 -25.105 -6.993 -18.496 1.00 0.00 C ATOM 72 C SER A 6 -23.710 -7.654 -18.755 1.00 0.00 C ATOM 73 O SER A 6 -22.781 -7.506 -17.955 1.00 0.00 O ATOM 74 CB SER A 6 -25.090 -5.891 -17.406 1.00 0.00 C ATOM 75 OG SER A 6 -26.320 -5.176 -17.369 1.00 0.00 O ATOM 0 H SER A 6 -26.954 -7.884 -18.996 1.00 0.00 H new ATOM 0 HA SER A 6 -25.333 -6.469 -19.424 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.902 -6.344 -16.432 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.271 -5.198 -17.599 1.00 0.00 H new ATOM 0 HG SER A 6 -26.279 -4.490 -16.670 1.00 0.00 H new ATOM 81 N ALA A 7 -23.577 -8.388 -19.881 1.00 0.00 N ATOM 82 CA ALA A 7 -22.296 -9.019 -20.298 1.00 0.00 C ATOM 83 C ALA A 7 -21.473 -8.075 -21.219 1.00 0.00 C ATOM 84 O ALA A 7 -20.385 -7.651 -20.819 1.00 0.00 O ATOM 85 CB ALA A 7 -22.588 -10.399 -20.921 1.00 0.00 C ATOM 0 H ALA A 7 -24.347 -8.562 -20.527 1.00 0.00 H new ATOM 0 HA ALA A 7 -21.662 -9.185 -19.427 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -21.652 -10.865 -21.228 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -23.085 -11.032 -20.186 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -23.234 -10.276 -21.790 1.00 0.00 H new ATOM 91 N LEU A 8 -22.004 -7.712 -22.407 1.00 0.00 N ATOM 92 CA LEU A 8 -21.405 -6.672 -23.295 1.00 0.00 C ATOM 93 C LEU A 8 -21.433 -5.218 -22.722 1.00 0.00 C ATOM 94 O LEU A 8 -20.444 -4.498 -22.877 1.00 0.00 O ATOM 95 CB LEU A 8 -22.056 -6.814 -24.707 1.00 0.00 C ATOM 96 CG LEU A 8 -21.418 -6.115 -25.945 1.00 0.00 C ATOM 97 CD1 LEU A 8 -21.715 -4.606 -26.043 1.00 0.00 C ATOM 98 CD2 LEU A 8 -19.912 -6.399 -26.115 1.00 0.00 C ATOM 0 H LEU A 8 -22.857 -8.126 -22.783 1.00 0.00 H new ATOM 0 HA LEU A 8 -20.333 -6.855 -23.368 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -22.110 -7.879 -24.931 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -23.081 -6.453 -24.626 1.00 0.00 H new ATOM 0 HG LEU A 8 -21.926 -6.585 -26.787 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -21.234 -4.198 -26.932 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -22.792 -4.451 -26.109 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -21.329 -4.101 -25.158 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -19.541 -5.878 -26.998 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -19.374 -6.049 -25.234 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -19.755 -7.471 -26.234 1.00 0.00 H new ATOM 110 N ASP A 9 -22.530 -4.815 -22.048 1.00 0.00 N ATOM 111 CA ASP A 9 -22.680 -3.484 -21.389 1.00 0.00 C ATOM 112 C ASP A 9 -21.535 -3.026 -20.425 1.00 0.00 C ATOM 113 O ASP A 9 -21.158 -1.852 -20.477 1.00 0.00 O ATOM 114 CB ASP A 9 -24.074 -3.461 -20.700 1.00 0.00 C ATOM 115 CG ASP A 9 -24.546 -2.079 -20.223 1.00 0.00 C ATOM 116 OD1 ASP A 9 -24.987 -1.266 -21.065 1.00 0.00 O ATOM 117 OD2 ASP A 9 -24.470 -1.801 -19.006 1.00 0.00 O ATOM 0 H ASP A 9 -23.353 -5.408 -21.940 1.00 0.00 H new ATOM 0 HA ASP A 9 -22.598 -2.737 -22.178 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -24.812 -3.859 -21.396 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -24.049 -4.134 -19.843 1.00 0.00 H new ATOM 122 N LYS A 10 -21.001 -3.920 -19.568 1.00 0.00 N ATOM 123 CA LYS A 10 -19.935 -3.566 -18.587 1.00 0.00 C ATOM 124 C LYS A 10 -18.542 -3.211 -19.191 1.00 0.00 C ATOM 125 O LYS A 10 -17.935 -2.260 -18.693 1.00 0.00 O ATOM 126 CB LYS A 10 -19.815 -4.656 -17.487 1.00 0.00 C ATOM 127 CG LYS A 10 -21.042 -4.884 -16.567 1.00 0.00 C ATOM 128 CD LYS A 10 -21.440 -3.717 -15.631 1.00 0.00 C ATOM 129 CE LYS A 10 -22.525 -2.776 -16.197 1.00 0.00 C ATOM 130 NZ LYS A 10 -22.824 -1.675 -15.265 1.00 0.00 N ATOM 0 H LYS A 10 -21.287 -4.898 -19.530 1.00 0.00 H new ATOM 0 HA LYS A 10 -20.272 -2.629 -18.143 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -19.581 -5.602 -17.975 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -18.963 -4.404 -16.855 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -21.899 -5.122 -17.197 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -20.846 -5.762 -15.951 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -21.794 -4.131 -14.687 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -20.550 -3.129 -15.407 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -22.192 -2.367 -17.151 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -23.434 -3.344 -16.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -23.557 -1.062 -15.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -23.165 -2.066 -14.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -21.961 -1.119 -15.097 1.00 0.00 H new ATOM 144 N LEU A 11 -18.035 -3.919 -20.227 1.00 0.00 N ATOM 145 CA LEU A 11 -16.761 -3.536 -20.910 1.00 0.00 C ATOM 146 C LEU A 11 -16.831 -2.296 -21.861 1.00 0.00 C ATOM 147 O LEU A 11 -15.848 -1.551 -21.908 1.00 0.00 O ATOM 148 CB LEU A 11 -15.995 -4.735 -21.533 1.00 0.00 C ATOM 149 CG LEU A 11 -16.592 -5.467 -22.769 1.00 0.00 C ATOM 150 CD1 LEU A 11 -15.477 -6.133 -23.601 1.00 0.00 C ATOM 151 CD2 LEU A 11 -17.639 -6.524 -22.373 1.00 0.00 C ATOM 0 H LEU A 11 -18.479 -4.753 -20.611 1.00 0.00 H new ATOM 0 HA LEU A 11 -16.153 -3.181 -20.078 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -15.003 -4.379 -21.812 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.858 -5.479 -20.748 1.00 0.00 H new ATOM 0 HG LEU A 11 -17.092 -4.707 -23.370 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.917 -6.639 -24.460 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.777 -5.372 -23.947 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.947 -6.859 -22.984 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -18.026 -7.007 -23.270 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -17.176 -7.272 -21.730 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -18.458 -6.043 -21.838 1.00 0.00 H new ATOM 163 N LYS A 12 -17.950 -2.039 -22.582 1.00 0.00 N ATOM 164 CA LYS A 12 -18.156 -0.746 -23.308 1.00 0.00 C ATOM 165 C LYS A 12 -18.293 0.516 -22.392 1.00 0.00 C ATOM 166 O LYS A 12 -17.683 1.544 -22.700 1.00 0.00 O ATOM 167 CB LYS A 12 -19.259 -0.831 -24.399 1.00 0.00 C ATOM 168 CG LYS A 12 -20.722 -1.044 -23.946 1.00 0.00 C ATOM 169 CD LYS A 12 -21.724 -0.926 -25.113 1.00 0.00 C ATOM 170 CE LYS A 12 -23.172 -1.245 -24.698 1.00 0.00 C ATOM 171 NZ LYS A 12 -24.110 -1.045 -25.816 1.00 0.00 N ATOM 0 H LYS A 12 -18.722 -2.699 -22.680 1.00 0.00 H new ATOM 0 HA LYS A 12 -17.214 -0.586 -23.833 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.222 0.089 -24.982 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.998 -1.646 -25.074 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -20.817 -2.028 -23.487 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -20.973 -0.310 -23.180 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -21.683 0.085 -25.519 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -21.423 -1.603 -25.912 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -23.233 -2.276 -24.350 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -23.460 -0.609 -23.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -25.076 -1.269 -25.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -24.069 -0.055 -26.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -23.848 -1.670 -26.605 1.00 0.00 H new ATOM 185 N GLU A 13 -19.033 0.425 -21.266 1.00 0.00 N ATOM 186 CA GLU A 13 -19.027 1.465 -20.194 1.00 0.00 C ATOM 187 C GLU A 13 -17.672 1.627 -19.426 1.00 0.00 C ATOM 188 O GLU A 13 -17.354 2.753 -19.039 1.00 0.00 O ATOM 189 CB GLU A 13 -20.229 1.212 -19.234 1.00 0.00 C ATOM 190 CG GLU A 13 -20.525 2.284 -18.156 1.00 0.00 C ATOM 191 CD GLU A 13 -20.869 3.671 -18.714 1.00 0.00 C ATOM 192 OE1 GLU A 13 -22.047 3.906 -19.064 1.00 0.00 O ATOM 193 OE2 GLU A 13 -19.962 4.527 -18.810 1.00 0.00 O ATOM 0 H GLU A 13 -19.650 -0.363 -21.068 1.00 0.00 H new ATOM 0 HA GLU A 13 -19.142 2.429 -20.690 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -21.125 1.092 -19.843 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -20.059 0.263 -18.726 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -21.354 1.940 -17.538 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -19.656 2.374 -17.504 1.00 0.00 H new ATOM 200 N PHE A 14 -16.868 0.555 -19.235 1.00 0.00 N ATOM 201 CA PHE A 14 -15.458 0.665 -18.760 1.00 0.00 C ATOM 202 C PHE A 14 -14.547 1.521 -19.703 1.00 0.00 C ATOM 203 O PHE A 14 -13.912 2.449 -19.198 1.00 0.00 O ATOM 204 CB PHE A 14 -14.895 -0.751 -18.428 1.00 0.00 C ATOM 205 CG PHE A 14 -13.444 -0.785 -17.911 1.00 0.00 C ATOM 206 CD1 PHE A 14 -13.155 -0.415 -16.594 1.00 0.00 C ATOM 207 CD2 PHE A 14 -12.396 -1.126 -18.776 1.00 0.00 C ATOM 208 CE1 PHE A 14 -11.835 -0.367 -16.152 1.00 0.00 C ATOM 209 CE2 PHE A 14 -11.077 -1.078 -18.330 1.00 0.00 C ATOM 210 CZ PHE A 14 -10.797 -0.696 -17.020 1.00 0.00 C ATOM 0 H PHE A 14 -17.170 -0.405 -19.403 1.00 0.00 H new ATOM 0 HA PHE A 14 -15.455 1.236 -17.831 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -15.539 -1.213 -17.680 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -14.957 -1.367 -19.325 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -13.958 -0.165 -15.917 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.611 -1.427 -19.791 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.616 -0.074 -15.136 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -10.271 -1.337 -19.000 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.774 -0.655 -16.677 1.00 0.00 H new ATOM 220 N GLY A 15 -14.513 1.262 -21.029 1.00 0.00 N ATOM 221 CA GLY A 15 -13.840 2.167 -22.009 1.00 0.00 C ATOM 222 C GLY A 15 -14.285 3.654 -22.024 1.00 0.00 C ATOM 223 O GLY A 15 -13.429 4.538 -22.077 1.00 0.00 O ATOM 0 H GLY A 15 -14.940 0.438 -21.452 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.768 2.137 -21.815 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.995 1.758 -23.008 1.00 0.00 H new ATOM 227 N ASN A 16 -15.603 3.915 -21.930 1.00 0.00 N ATOM 228 CA ASN A 16 -16.167 5.282 -21.724 1.00 0.00 C ATOM 229 C ASN A 16 -15.709 6.022 -20.425 1.00 0.00 C ATOM 230 O ASN A 16 -15.433 7.223 -20.499 1.00 0.00 O ATOM 231 CB ASN A 16 -17.724 5.222 -21.776 1.00 0.00 C ATOM 232 CG ASN A 16 -18.373 4.812 -23.117 1.00 0.00 C ATOM 233 OD1 ASN A 16 -17.805 4.963 -24.199 1.00 0.00 O ATOM 234 ND2 ASN A 16 -19.593 4.298 -23.069 1.00 0.00 N ATOM 0 H ASN A 16 -16.316 3.189 -21.994 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.760 5.878 -22.541 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -18.060 4.522 -21.011 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.109 6.204 -21.501 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -20.066 4.025 -23.931 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -20.060 4.175 -22.170 1.00 0.00 H new ATOM 241 N THR A 17 -15.622 5.334 -19.264 1.00 0.00 N ATOM 242 CA THR A 17 -15.171 5.944 -17.979 1.00 0.00 C ATOM 243 C THR A 17 -13.686 6.398 -17.986 1.00 0.00 C ATOM 244 O THR A 17 -13.460 7.589 -17.766 1.00 0.00 O ATOM 245 CB THR A 17 -15.497 5.082 -16.725 1.00 0.00 C ATOM 246 OG1 THR A 17 -15.028 3.744 -16.866 1.00 0.00 O ATOM 247 CG2 THR A 17 -16.988 5.055 -16.372 1.00 0.00 C ATOM 0 H THR A 17 -15.860 4.345 -19.185 1.00 0.00 H new ATOM 0 HA THR A 17 -15.772 6.850 -17.898 1.00 0.00 H new ATOM 0 HB THR A 17 -14.970 5.571 -15.906 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.607 3.636 -17.744 1.00 0.00 H new ATOM 0 HG21 THR A 17 -17.142 4.436 -15.488 1.00 0.00 H new ATOM 0 HG22 THR A 17 -17.332 6.069 -16.169 1.00 0.00 H new ATOM 0 HG23 THR A 17 -17.552 4.641 -17.208 1.00 0.00 H new ATOM 255 N LEU A 18 -12.695 5.509 -18.241 1.00 0.00 N ATOM 256 CA LEU A 18 -11.259 5.928 -18.317 1.00 0.00 C ATOM 257 C LEU A 18 -10.757 6.684 -19.593 1.00 0.00 C ATOM 258 O LEU A 18 -9.619 7.161 -19.611 1.00 0.00 O ATOM 259 CB LEU A 18 -10.299 4.813 -17.805 1.00 0.00 C ATOM 260 CG LEU A 18 -9.764 3.741 -18.800 1.00 0.00 C ATOM 261 CD1 LEU A 18 -8.691 2.867 -18.120 1.00 0.00 C ATOM 262 CD2 LEU A 18 -10.864 2.840 -19.387 1.00 0.00 C ATOM 0 H LEU A 18 -12.851 4.513 -18.396 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.224 6.758 -17.612 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.434 5.306 -17.361 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.812 4.285 -17.001 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.331 4.295 -19.633 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.326 2.122 -18.828 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.862 3.496 -17.795 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.125 2.364 -17.256 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.417 2.118 -20.071 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.369 2.310 -18.580 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.586 3.452 -19.927 1.00 0.00 H new ATOM 274 N GLU A 19 -11.623 6.854 -20.603 1.00 0.00 N ATOM 275 CA GLU A 19 -11.456 7.875 -21.673 1.00 0.00 C ATOM 276 C GLU A 19 -11.804 9.316 -21.183 1.00 0.00 C ATOM 277 O GLU A 19 -10.971 10.213 -21.335 1.00 0.00 O ATOM 278 CB GLU A 19 -12.235 7.436 -22.942 1.00 0.00 C ATOM 279 CG GLU A 19 -12.105 8.328 -24.199 1.00 0.00 C ATOM 280 CD GLU A 19 -10.686 8.415 -24.775 1.00 0.00 C ATOM 281 OE1 GLU A 19 -10.301 7.532 -25.572 1.00 0.00 O ATOM 282 OE2 GLU A 19 -9.952 9.367 -24.429 1.00 0.00 O ATOM 0 H GLU A 19 -12.466 6.290 -20.710 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.402 7.933 -21.944 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.909 6.430 -23.207 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.292 7.370 -22.683 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.774 7.946 -24.970 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.445 9.334 -23.952 1.00 0.00 H new ATOM 289 N ASP A 20 -12.997 9.529 -20.581 1.00 0.00 N ATOM 290 CA ASP A 20 -13.358 10.800 -19.892 1.00 0.00 C ATOM 291 C ASP A 20 -12.427 11.193 -18.696 1.00 0.00 C ATOM 292 O ASP A 20 -12.056 12.364 -18.605 1.00 0.00 O ATOM 293 CB ASP A 20 -14.857 10.719 -19.487 1.00 0.00 C ATOM 294 CG ASP A 20 -15.471 12.043 -19.006 1.00 0.00 C ATOM 295 OD1 ASP A 20 -15.890 12.859 -19.855 1.00 0.00 O ATOM 296 OD2 ASP A 20 -15.527 12.271 -17.777 1.00 0.00 O ATOM 0 H ASP A 20 -13.738 8.829 -20.557 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.199 11.618 -20.595 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -15.430 10.359 -20.342 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.965 9.977 -18.696 1.00 0.00 H new ATOM 301 N LYS A 21 -12.038 10.244 -17.815 1.00 0.00 N ATOM 302 CA LYS A 21 -11.043 10.489 -16.731 1.00 0.00 C ATOM 303 C LYS A 21 -9.599 10.847 -17.215 1.00 0.00 C ATOM 304 O LYS A 21 -8.987 11.738 -16.623 1.00 0.00 O ATOM 305 CB LYS A 21 -11.042 9.285 -15.745 1.00 0.00 C ATOM 306 CG LYS A 21 -10.384 9.533 -14.367 1.00 0.00 C ATOM 307 CD LYS A 21 -11.157 10.508 -13.449 1.00 0.00 C ATOM 308 CE LYS A 21 -10.503 10.759 -12.078 1.00 0.00 C ATOM 309 NZ LYS A 21 -9.279 11.581 -12.160 1.00 0.00 N ATOM 0 H LYS A 21 -12.399 9.290 -17.830 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.370 11.393 -16.218 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.074 8.975 -15.581 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.531 8.450 -16.224 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.278 8.578 -13.853 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.379 9.923 -14.524 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.265 11.462 -13.965 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.162 10.116 -13.290 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.222 11.253 -11.425 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.260 9.801 -11.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.886 11.715 -11.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.578 11.101 -12.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.510 12.508 -12.572 1.00 0.00 H new ATOM 323 N ALA A 22 -9.067 10.192 -18.269 1.00 0.00 N ATOM 324 CA ALA A 22 -7.790 10.605 -18.920 1.00 0.00 C ATOM 325 C ALA A 22 -7.802 12.006 -19.602 1.00 0.00 C ATOM 326 O ALA A 22 -6.845 12.759 -19.418 1.00 0.00 O ATOM 327 CB ALA A 22 -7.357 9.518 -19.918 1.00 0.00 C ATOM 0 H ALA A 22 -9.499 9.371 -18.694 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.066 10.710 -18.112 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.424 9.815 -20.397 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.210 8.576 -19.389 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.130 9.392 -20.676 1.00 0.00 H new ATOM 333 N ARG A 23 -8.873 12.371 -20.340 1.00 0.00 N ATOM 334 CA ARG A 23 -9.102 13.759 -20.838 1.00 0.00 C ATOM 335 C ARG A 23 -9.206 14.855 -19.720 1.00 0.00 C ATOM 336 O ARG A 23 -8.591 15.916 -19.858 1.00 0.00 O ATOM 337 CB ARG A 23 -10.345 13.727 -21.770 1.00 0.00 C ATOM 338 CG ARG A 23 -10.530 14.992 -22.634 1.00 0.00 C ATOM 339 CD ARG A 23 -11.752 14.898 -23.565 1.00 0.00 C ATOM 340 NE ARG A 23 -11.876 16.109 -24.414 1.00 0.00 N ATOM 341 CZ ARG A 23 -12.893 16.338 -25.267 1.00 0.00 C ATOM 342 NH1 ARG A 23 -13.919 15.507 -25.444 1.00 0.00 N ATOM 343 NH2 ARG A 23 -12.872 17.455 -25.972 1.00 0.00 N ATOM 0 H ARG A 23 -9.607 11.717 -20.611 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.217 14.072 -21.392 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -10.268 12.861 -22.428 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -11.237 13.585 -21.160 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.639 15.859 -21.983 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.633 15.153 -23.232 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.663 14.015 -24.198 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.657 14.774 -22.970 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.142 16.815 -24.347 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.966 14.636 -24.916 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.657 15.742 -26.107 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.101 18.113 -25.861 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.627 17.659 -26.627 1.00 0.00 H new ATOM 357 N GLU A 24 -9.934 14.578 -18.615 1.00 0.00 N ATOM 358 CA GLU A 24 -9.915 15.400 -17.371 1.00 0.00 C ATOM 359 C GLU A 24 -8.500 15.602 -16.736 1.00 0.00 C ATOM 360 O GLU A 24 -8.167 16.733 -16.382 1.00 0.00 O ATOM 361 CB GLU A 24 -10.926 14.764 -16.374 1.00 0.00 C ATOM 362 CG GLU A 24 -11.247 15.606 -15.120 1.00 0.00 C ATOM 363 CD GLU A 24 -12.181 14.880 -14.150 1.00 0.00 C ATOM 364 OE1 GLU A 24 -13.418 15.004 -14.293 1.00 0.00 O ATOM 365 OE2 GLU A 24 -11.684 14.179 -13.241 1.00 0.00 O ATOM 0 H GLU A 24 -10.558 13.773 -18.555 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.211 16.416 -17.631 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.857 14.567 -16.905 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.533 13.800 -16.051 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.318 15.856 -14.607 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.705 16.547 -15.425 1.00 0.00 H new ATOM 372 N LEU A 25 -7.672 14.544 -16.615 1.00 0.00 N ATOM 373 CA LEU A 25 -6.263 14.657 -16.138 1.00 0.00 C ATOM 374 C LEU A 25 -5.296 15.433 -17.087 1.00 0.00 C ATOM 375 O LEU A 25 -4.471 16.195 -16.585 1.00 0.00 O ATOM 376 CB LEU A 25 -5.703 13.242 -15.808 1.00 0.00 C ATOM 377 CG LEU A 25 -6.329 12.522 -14.577 1.00 0.00 C ATOM 378 CD1 LEU A 25 -6.002 11.018 -14.599 1.00 0.00 C ATOM 379 CD2 LEU A 25 -5.886 13.143 -13.235 1.00 0.00 C ATOM 0 H LEU A 25 -7.951 13.590 -16.842 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.306 15.270 -15.238 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.841 12.607 -16.683 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.629 13.329 -15.644 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.408 12.657 -14.654 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.449 10.536 -13.730 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.404 10.572 -15.509 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.921 10.880 -14.574 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.353 12.602 -12.412 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.802 13.077 -13.144 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.190 14.189 -13.200 1.00 0.00 H new ATOM 391 N ILE A 26 -5.406 15.277 -18.424 1.00 0.00 N ATOM 392 CA ILE A 26 -4.604 16.045 -19.433 1.00 0.00 C ATOM 393 C ILE A 26 -4.863 17.594 -19.403 1.00 0.00 C ATOM 394 O ILE A 26 -3.911 18.345 -19.617 1.00 0.00 O ATOM 395 CB ILE A 26 -4.767 15.383 -20.849 1.00 0.00 C ATOM 396 CG1 ILE A 26 -4.116 13.962 -20.882 1.00 0.00 C ATOM 397 CG2 ILE A 26 -4.184 16.220 -22.022 1.00 0.00 C ATOM 398 CD1 ILE A 26 -4.582 13.053 -22.021 1.00 0.00 C ATOM 0 H ILE A 26 -6.054 14.614 -18.848 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.551 15.976 -19.159 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.845 15.322 -21.000 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.034 14.078 -20.952 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.323 13.464 -19.935 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.340 15.689 -22.961 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.686 17.186 -22.064 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.116 16.373 -21.865 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.071 12.093 -21.953 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.658 12.897 -21.945 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.350 13.521 -22.978 1.00 0.00 H new ATOM 410 N SER A 27 -6.092 18.088 -19.136 1.00 0.00 N ATOM 411 CA SER A 27 -6.336 19.541 -18.875 1.00 0.00 C ATOM 412 C SER A 27 -5.549 20.176 -17.676 1.00 0.00 C ATOM 413 O SER A 27 -5.048 21.295 -17.821 1.00 0.00 O ATOM 414 CB SER A 27 -7.852 19.831 -18.811 1.00 0.00 C ATOM 415 OG SER A 27 -8.472 19.226 -17.684 1.00 0.00 O ATOM 0 H SER A 27 -6.933 17.512 -19.094 1.00 0.00 H new ATOM 0 HA SER A 27 -5.905 20.056 -19.734 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.012 20.909 -18.775 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.327 19.468 -19.722 1.00 0.00 H new ATOM 0 HG SER A 27 -8.090 18.335 -17.540 1.00 0.00 H new ATOM 421 N ARG A 28 -5.395 19.465 -16.536 1.00 0.00 N ATOM 422 CA ARG A 28 -4.468 19.867 -15.434 1.00 0.00 C ATOM 423 C ARG A 28 -2.950 19.688 -15.785 1.00 0.00 C ATOM 424 O ARG A 28 -2.160 20.609 -15.562 1.00 0.00 O ATOM 425 CB ARG A 28 -4.783 19.112 -14.106 1.00 0.00 C ATOM 426 CG ARG A 28 -6.137 19.384 -13.407 1.00 0.00 C ATOM 427 CD ARG A 28 -7.313 18.538 -13.929 1.00 0.00 C ATOM 428 NE ARG A 28 -8.530 18.726 -13.099 1.00 0.00 N ATOM 429 CZ ARG A 28 -9.776 18.932 -13.573 1.00 0.00 C ATOM 430 NH1 ARG A 28 -10.077 19.053 -14.863 1.00 0.00 N ATOM 431 NH2 ARG A 28 -10.761 19.024 -12.699 1.00 0.00 N ATOM 0 H ARG A 28 -5.903 18.601 -16.347 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.648 20.934 -15.299 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.724 18.043 -14.310 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.990 19.345 -13.396 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.022 19.201 -12.339 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.386 20.439 -13.525 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.530 18.812 -14.961 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.032 17.485 -13.931 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.414 18.697 -12.086 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.341 18.991 -15.566 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.044 19.208 -15.149 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.567 18.940 -11.701 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.716 19.180 -13.021 1.00 0.00 H new ATOM 445 N ILE A 29 -2.557 18.507 -16.307 1.00 0.00 N ATOM 446 CA ILE A 29 -1.144 18.124 -16.594 1.00 0.00 C ATOM 447 C ILE A 29 -0.608 18.888 -17.842 1.00 0.00 C ATOM 448 O ILE A 29 0.199 19.813 -17.705 1.00 0.00 O ATOM 449 CB ILE A 29 -1.059 16.551 -16.621 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.369 15.871 -15.252 1.00 0.00 C ATOM 451 CG2 ILE A 29 0.256 15.965 -17.192 1.00 0.00 C ATOM 452 CD1 ILE A 29 -0.531 16.330 -14.050 1.00 0.00 C ATOM 0 H ILE A 29 -3.222 17.772 -16.549 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.456 18.439 -15.810 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.855 16.305 -17.324 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.420 16.040 -15.018 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.237 14.795 -15.368 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.211 14.876 -17.165 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.386 16.298 -18.222 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.098 16.308 -16.591 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.842 15.784 -13.160 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.523 16.135 -14.246 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.679 17.398 -13.890 1.00 0.00 H new ATOM 464 N LYS A 30 -1.067 18.479 -19.035 1.00 0.00 N ATOM 465 CA LYS A 30 -0.678 19.058 -20.351 1.00 0.00 C ATOM 466 C LYS A 30 0.844 18.926 -20.670 1.00 0.00 C ATOM 467 O LYS A 30 1.572 19.918 -20.780 1.00 0.00 O ATOM 468 CB LYS A 30 -1.298 20.478 -20.551 1.00 0.00 C ATOM 469 CG LYS A 30 -1.671 20.836 -22.006 1.00 0.00 C ATOM 470 CD LYS A 30 -2.918 20.080 -22.526 1.00 0.00 C ATOM 471 CE LYS A 30 -3.393 20.494 -23.931 1.00 0.00 C ATOM 472 NZ LYS A 30 -2.480 20.060 -25.005 1.00 0.00 N ATOM 0 H LYS A 30 -1.738 17.716 -19.124 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.127 18.442 -21.130 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.193 20.556 -19.934 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.591 21.221 -20.181 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.852 21.909 -22.073 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.824 20.614 -22.655 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.700 19.012 -22.533 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.736 20.233 -21.823 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.382 20.073 -24.112 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.497 21.578 -23.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.855 20.368 -25.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.541 20.482 -24.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.399 19.023 -24.994 1.00 0.00 H new ATOM 486 N GLN A 31 1.305 17.663 -20.771 1.00 0.00 N ATOM 487 CA GLN A 31 2.734 17.279 -20.870 1.00 0.00 C ATOM 488 C GLN A 31 3.685 17.872 -19.777 1.00 0.00 C ATOM 489 O GLN A 31 4.668 18.548 -20.101 1.00 0.00 O ATOM 490 CB GLN A 31 3.232 17.387 -22.338 1.00 0.00 C ATOM 491 CG GLN A 31 4.406 16.436 -22.654 1.00 0.00 C ATOM 492 CD GLN A 31 5.029 16.671 -24.038 1.00 0.00 C ATOM 493 OE1 GLN A 31 4.538 16.174 -25.052 1.00 0.00 O ATOM 494 NE2 GLN A 31 6.117 17.423 -24.112 1.00 0.00 N ATOM 0 H GLN A 31 0.679 16.858 -20.787 1.00 0.00 H new ATOM 0 HA GLN A 31 2.787 16.224 -20.602 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.404 17.168 -23.013 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.541 18.413 -22.535 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.176 16.557 -21.892 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.055 15.406 -22.592 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.515 17.829 -23.265 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.557 17.596 -25.016 1.00 0.00 H new ATOM 503 N SER A 32 3.412 17.570 -18.489 1.00 0.00 N ATOM 504 CA SER A 32 4.335 17.928 -17.367 1.00 0.00 C ATOM 505 C SER A 32 5.801 17.378 -17.394 1.00 0.00 C ATOM 506 O SER A 32 6.691 18.096 -16.931 1.00 0.00 O ATOM 507 CB SER A 32 3.671 17.606 -16.007 1.00 0.00 C ATOM 508 OG SER A 32 2.473 18.354 -15.822 1.00 0.00 O ATOM 0 H SER A 32 2.567 17.082 -18.192 1.00 0.00 H new ATOM 0 HA SER A 32 4.482 18.998 -17.517 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.448 16.540 -15.953 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.368 17.827 -15.199 1.00 0.00 H new ATOM 0 HG SER A 32 2.076 18.127 -14.955 1.00 0.00 H new ATOM 514 N GLU A 33 6.073 16.128 -17.845 1.00 0.00 N ATOM 515 CA GLU A 33 7.342 15.392 -17.547 1.00 0.00 C ATOM 516 C GLU A 33 7.605 14.975 -16.054 1.00 0.00 C ATOM 517 O GLU A 33 8.614 14.330 -15.755 1.00 0.00 O ATOM 518 CB GLU A 33 8.563 15.988 -18.303 1.00 0.00 C ATOM 519 CG GLU A 33 9.664 14.972 -18.676 1.00 0.00 C ATOM 520 CD GLU A 33 10.813 15.599 -19.467 1.00 0.00 C ATOM 521 OE1 GLU A 33 10.743 15.630 -20.716 1.00 0.00 O ATOM 522 OE2 GLU A 33 11.794 16.063 -18.844 1.00 0.00 O ATOM 0 H GLU A 33 5.424 15.597 -18.425 1.00 0.00 H new ATOM 0 HA GLU A 33 7.172 14.404 -17.975 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.207 16.466 -19.216 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.006 16.770 -17.686 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.060 14.523 -17.765 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.223 14.166 -19.263 1.00 0.00 H new ATOM 529 N LEU A 34 6.653 15.245 -15.145 1.00 0.00 N ATOM 530 CA LEU A 34 6.377 14.382 -13.974 1.00 0.00 C ATOM 531 C LEU A 34 5.279 13.348 -14.378 1.00 0.00 C ATOM 532 O LEU A 34 5.487 12.149 -14.197 1.00 0.00 O ATOM 533 CB LEU A 34 5.962 15.292 -12.785 1.00 0.00 C ATOM 534 CG LEU A 34 5.812 14.592 -11.405 1.00 0.00 C ATOM 535 CD1 LEU A 34 7.162 14.151 -10.804 1.00 0.00 C ATOM 536 CD2 LEU A 34 5.063 15.504 -10.416 1.00 0.00 C ATOM 0 H LEU A 34 6.051 16.067 -15.197 1.00 0.00 H new ATOM 0 HA LEU A 34 7.253 13.816 -13.656 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.702 16.087 -12.687 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.013 15.768 -13.033 1.00 0.00 H new ATOM 0 HG LEU A 34 5.231 13.686 -11.578 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.992 13.669 -9.841 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.649 13.449 -11.480 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.801 15.023 -10.665 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.967 14.998 -9.455 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.620 16.432 -10.283 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.071 15.729 -10.808 1.00 0.00 H new ATOM 548 N SER A 35 4.152 13.832 -14.945 1.00 0.00 N ATOM 549 CA SER A 35 3.150 12.998 -15.635 1.00 0.00 C ATOM 550 C SER A 35 3.176 13.365 -17.147 1.00 0.00 C ATOM 551 O SER A 35 3.178 14.529 -17.556 1.00 0.00 O ATOM 552 CB SER A 35 1.765 13.239 -15.026 1.00 0.00 C ATOM 553 OG SER A 35 1.691 12.755 -13.690 1.00 0.00 O ATOM 0 H SER A 35 3.912 14.823 -14.935 1.00 0.00 H new ATOM 0 HA SER A 35 3.380 11.939 -15.518 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.541 14.306 -15.041 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.008 12.746 -15.635 1.00 0.00 H new ATOM 0 HG SER A 35 0.796 12.925 -13.329 1.00 0.00 H new ATOM 559 N ALA A 36 3.232 12.298 -17.944 1.00 0.00 N ATOM 560 CA ALA A 36 3.973 12.218 -19.239 1.00 0.00 C ATOM 561 C ALA A 36 5.157 11.223 -19.073 1.00 0.00 C ATOM 562 O ALA A 36 5.292 10.307 -19.889 1.00 0.00 O ATOM 563 CB ALA A 36 4.403 13.494 -19.991 1.00 0.00 C ATOM 0 H ALA A 36 2.753 11.428 -17.714 1.00 0.00 H new ATOM 0 HA ALA A 36 3.201 11.876 -19.928 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.927 13.218 -20.906 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.521 14.083 -20.241 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.066 14.084 -19.358 1.00 0.00 H new ATOM 569 N LYS A 37 5.958 11.339 -17.986 1.00 0.00 N ATOM 570 CA LYS A 37 6.699 10.171 -17.430 1.00 0.00 C ATOM 571 C LYS A 37 5.789 9.064 -16.789 1.00 0.00 C ATOM 572 O LYS A 37 6.104 7.884 -16.945 1.00 0.00 O ATOM 573 CB LYS A 37 7.823 10.614 -16.453 1.00 0.00 C ATOM 574 CG LYS A 37 9.026 11.355 -17.082 1.00 0.00 C ATOM 575 CD LYS A 37 9.953 10.474 -17.953 1.00 0.00 C ATOM 576 CE LYS A 37 11.144 11.217 -18.589 1.00 0.00 C ATOM 577 NZ LYS A 37 12.160 11.649 -17.610 1.00 0.00 N ATOM 0 H LYS A 37 6.109 12.212 -17.481 1.00 0.00 H new ATOM 0 HA LYS A 37 7.160 9.697 -18.296 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.382 11.261 -15.695 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.197 9.729 -15.939 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.649 12.175 -17.693 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.618 11.800 -16.282 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.337 9.659 -17.339 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.359 10.022 -18.748 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.615 10.567 -19.327 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.773 12.091 -19.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.931 12.141 -18.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.725 12.293 -16.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.541 10.817 -17.115 1.00 0.00 H new ATOM 591 N MET A 38 4.668 9.403 -16.112 1.00 0.00 N ATOM 592 CA MET A 38 3.680 8.397 -15.614 1.00 0.00 C ATOM 593 C MET A 38 2.667 7.805 -16.661 1.00 0.00 C ATOM 594 O MET A 38 1.801 7.023 -16.252 1.00 0.00 O ATOM 595 CB MET A 38 2.874 9.025 -14.435 1.00 0.00 C ATOM 596 CG MET A 38 3.655 9.371 -13.155 1.00 0.00 C ATOM 597 SD MET A 38 4.507 7.925 -12.472 1.00 0.00 S ATOM 598 CE MET A 38 3.151 6.920 -11.827 1.00 0.00 C ATOM 0 H MET A 38 4.417 10.367 -15.893 1.00 0.00 H new ATOM 0 HA MET A 38 4.290 7.544 -15.317 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.399 9.937 -14.798 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.074 8.334 -14.167 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.383 10.152 -13.374 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.970 9.774 -12.409 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.556 6.034 -11.337 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.577 7.503 -11.106 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.501 6.616 -12.648 1.00 0.00 H new ATOM 608 N ARG A 39 2.766 8.103 -17.977 1.00 0.00 N ATOM 609 CA ARG A 39 1.824 7.582 -19.013 1.00 0.00 C ATOM 610 C ARG A 39 2.549 7.154 -20.324 1.00 0.00 C ATOM 611 O ARG A 39 2.408 5.993 -20.720 1.00 0.00 O ATOM 612 CB ARG A 39 0.579 8.495 -19.227 1.00 0.00 C ATOM 613 CG ARG A 39 0.823 10.010 -19.405 1.00 0.00 C ATOM 614 CD ARG A 39 -0.461 10.828 -19.637 1.00 0.00 C ATOM 615 NE ARG A 39 -0.166 12.288 -19.620 1.00 0.00 N ATOM 616 CZ ARG A 39 -0.141 13.089 -20.703 1.00 0.00 C ATOM 617 NH1 ARG A 39 -0.424 12.689 -21.939 1.00 0.00 N ATOM 618 NH2 ARG A 39 0.182 14.356 -20.524 1.00 0.00 N ATOM 0 H ARG A 39 3.495 8.708 -18.356 1.00 0.00 H new ATOM 0 HA ARG A 39 1.408 6.657 -18.613 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.046 8.135 -20.107 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.087 8.360 -18.374 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.330 10.392 -18.519 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.496 10.163 -20.249 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.905 10.553 -20.594 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.193 10.591 -18.865 1.00 0.00 H new ATOM 0 HE ARG A 39 0.033 12.716 -18.716 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.681 11.718 -22.114 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.384 13.354 -22.712 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.402 14.699 -19.589 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.211 14.992 -21.321 1.00 0.00 H new ATOM 632 N GLU A 40 3.318 8.042 -20.992 1.00 0.00 N ATOM 633 CA GLU A 40 4.114 7.681 -22.207 1.00 0.00 C ATOM 634 C GLU A 40 5.331 6.757 -21.881 1.00 0.00 C ATOM 635 O GLU A 40 5.415 5.655 -22.433 1.00 0.00 O ATOM 636 CB GLU A 40 4.531 8.928 -23.031 1.00 0.00 C ATOM 637 CG GLU A 40 3.430 9.641 -23.851 1.00 0.00 C ATOM 638 CD GLU A 40 2.421 10.458 -23.039 1.00 0.00 C ATOM 639 OE1 GLU A 40 2.774 11.559 -22.561 1.00 0.00 O ATOM 640 OE2 GLU A 40 1.267 10.002 -22.878 1.00 0.00 O ATOM 0 H GLU A 40 3.410 9.020 -20.716 1.00 0.00 H new ATOM 0 HA GLU A 40 3.447 7.095 -22.840 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.964 9.656 -22.345 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.322 8.628 -23.718 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.911 10.303 -24.571 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.885 8.890 -24.423 1.00 0.00 H new ATOM 647 N TRP A 41 6.230 7.175 -20.962 1.00 0.00 N ATOM 648 CA TRP A 41 7.278 6.288 -20.382 1.00 0.00 C ATOM 649 C TRP A 41 6.735 5.091 -19.534 1.00 0.00 C ATOM 650 O TRP A 41 7.380 4.045 -19.567 1.00 0.00 O ATOM 651 CB TRP A 41 8.273 7.181 -19.591 1.00 0.00 C ATOM 652 CG TRP A 41 9.485 6.506 -18.930 1.00 0.00 C ATOM 653 CD1 TRP A 41 10.804 6.492 -19.428 1.00 0.00 C ATOM 654 CD2 TRP A 41 9.547 5.872 -17.697 1.00 0.00 C ATOM 655 NE1 TRP A 41 11.692 5.862 -18.535 1.00 0.00 N ATOM 656 CE2 TRP A 41 10.890 5.491 -17.466 1.00 0.00 C ATOM 657 CE3 TRP A 41 8.539 5.565 -16.744 1.00 0.00 C ATOM 658 CZ2 TRP A 41 11.241 4.815 -16.272 1.00 0.00 C ATOM 659 CZ3 TRP A 41 8.905 4.884 -15.583 1.00 0.00 C ATOM 660 CH2 TRP A 41 10.236 4.517 -15.349 1.00 0.00 C ATOM 0 H TRP A 41 6.255 8.128 -20.600 1.00 0.00 H new ATOM 0 HA TRP A 41 7.787 5.785 -21.204 1.00 0.00 H new ATOM 0 HB2 TRP A 41 8.648 7.946 -20.271 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.712 7.695 -18.811 1.00 0.00 H new ATOM 0 HD1 TRP A 41 11.097 6.913 -20.378 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.695 5.713 -18.648 1.00 0.00 H new ATOM 0 HE3 TRP A 41 7.512 5.853 -16.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.266 4.535 -16.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.149 4.636 -14.852 1.00 0.00 H new ATOM 0 HH2 TRP A 41 10.490 3.994 -14.439 1.00 0.00 H new ATOM 671 N PHE A 42 5.619 5.211 -18.776 1.00 0.00 N ATOM 672 CA PHE A 42 5.011 4.059 -18.032 1.00 0.00 C ATOM 673 C PHE A 42 4.558 2.870 -18.940 1.00 0.00 C ATOM 674 O PHE A 42 4.774 1.711 -18.585 1.00 0.00 O ATOM 675 CB PHE A 42 3.823 4.567 -17.168 1.00 0.00 C ATOM 676 CG PHE A 42 3.340 3.637 -16.042 1.00 0.00 C ATOM 677 CD1 PHE A 42 3.946 3.689 -14.780 1.00 0.00 C ATOM 678 CD2 PHE A 42 2.249 2.784 -16.245 1.00 0.00 C ATOM 679 CE1 PHE A 42 3.458 2.908 -13.736 1.00 0.00 C ATOM 680 CE2 PHE A 42 1.766 2.002 -15.199 1.00 0.00 C ATOM 681 CZ PHE A 42 2.365 2.070 -13.944 1.00 0.00 C ATOM 0 H PHE A 42 5.115 6.090 -18.658 1.00 0.00 H new ATOM 0 HA PHE A 42 5.800 3.653 -17.399 1.00 0.00 H new ATOM 0 HB2 PHE A 42 4.109 5.520 -16.723 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.981 4.765 -17.831 1.00 0.00 H new ATOM 0 HD1 PHE A 42 4.794 4.337 -14.617 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.780 2.732 -17.217 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.927 2.952 -12.764 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.926 1.342 -15.361 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.982 1.472 -13.130 1.00 0.00 H new ATOM 691 N SER A 43 3.964 3.173 -20.110 1.00 0.00 N ATOM 692 CA SER A 43 3.662 2.163 -21.165 1.00 0.00 C ATOM 693 C SER A 43 4.919 1.447 -21.758 1.00 0.00 C ATOM 694 O SER A 43 4.922 0.218 -21.861 1.00 0.00 O ATOM 695 CB SER A 43 2.797 2.839 -22.254 1.00 0.00 C ATOM 696 OG SER A 43 2.328 1.885 -23.199 1.00 0.00 O ATOM 0 H SER A 43 3.677 4.120 -20.359 1.00 0.00 H new ATOM 0 HA SER A 43 3.107 1.349 -20.698 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.949 3.342 -21.789 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.382 3.604 -22.764 1.00 0.00 H new ATOM 0 HG SER A 43 1.782 2.337 -23.876 1.00 0.00 H new ATOM 702 N GLU A 44 5.981 2.206 -22.096 1.00 0.00 N ATOM 703 CA GLU A 44 7.315 1.650 -22.459 1.00 0.00 C ATOM 704 C GLU A 44 8.072 0.861 -21.339 1.00 0.00 C ATOM 705 O GLU A 44 8.777 -0.096 -21.667 1.00 0.00 O ATOM 706 CB GLU A 44 8.209 2.812 -22.984 1.00 0.00 C ATOM 707 CG GLU A 44 7.863 3.312 -24.405 1.00 0.00 C ATOM 708 CD GLU A 44 8.344 2.384 -25.528 1.00 0.00 C ATOM 709 OE1 GLU A 44 9.528 2.473 -25.921 1.00 0.00 O ATOM 710 OE2 GLU A 44 7.540 1.561 -26.019 1.00 0.00 O ATOM 0 H GLU A 44 5.945 3.225 -22.127 1.00 0.00 H new ATOM 0 HA GLU A 44 7.116 0.896 -23.221 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.133 3.650 -22.292 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.248 2.484 -22.974 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.782 3.431 -24.484 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.304 4.298 -24.549 1.00 0.00 H new ATOM 717 N THR A 45 7.976 1.282 -20.061 1.00 0.00 N ATOM 718 CA THR A 45 8.881 0.828 -18.963 1.00 0.00 C ATOM 719 C THR A 45 8.044 0.542 -17.668 1.00 0.00 C ATOM 720 O THR A 45 8.152 1.206 -16.629 1.00 0.00 O ATOM 721 CB THR A 45 9.945 1.926 -18.712 1.00 0.00 C ATOM 722 OG1 THR A 45 10.545 2.401 -19.917 1.00 0.00 O ATOM 723 CG2 THR A 45 11.090 1.521 -17.771 1.00 0.00 C ATOM 0 H THR A 45 7.269 1.949 -19.751 1.00 0.00 H new ATOM 0 HA THR A 45 9.385 -0.096 -19.244 1.00 0.00 H new ATOM 0 HB THR A 45 9.359 2.709 -18.230 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.206 3.092 -19.703 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.782 2.356 -17.659 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.682 1.254 -16.796 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.619 0.665 -18.189 1.00 0.00 H new ATOM 731 N PHE A 46 7.224 -0.501 -17.760 1.00 0.00 N ATOM 732 CA PHE A 46 6.499 -1.102 -16.607 1.00 0.00 C ATOM 733 C PHE A 46 6.333 -2.630 -16.849 1.00 0.00 C ATOM 734 O PHE A 46 6.930 -3.416 -16.110 1.00 0.00 O ATOM 735 CB PHE A 46 5.192 -0.329 -16.253 1.00 0.00 C ATOM 736 CG PHE A 46 4.482 -0.774 -14.964 1.00 0.00 C ATOM 737 CD1 PHE A 46 5.018 -0.450 -13.712 1.00 0.00 C ATOM 738 CD2 PHE A 46 3.271 -1.471 -15.031 1.00 0.00 C ATOM 739 CE1 PHE A 46 4.348 -0.814 -12.546 1.00 0.00 C ATOM 740 CE2 PHE A 46 2.600 -1.830 -13.865 1.00 0.00 C ATOM 741 CZ PHE A 46 3.138 -1.499 -12.623 1.00 0.00 C ATOM 0 H PHE A 46 7.031 -0.971 -18.644 1.00 0.00 H new ATOM 0 HA PHE A 46 7.091 -0.995 -15.698 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.431 0.731 -16.167 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.494 -0.432 -17.084 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.955 0.084 -13.650 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.854 -1.732 -15.993 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.767 -0.565 -11.582 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.663 -2.365 -13.923 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.616 -1.774 -11.719 1.00 0.00 H new ATOM 751 N GLN A 47 5.565 -3.053 -17.879 1.00 0.00 N ATOM 752 CA GLN A 47 5.506 -4.481 -18.315 1.00 0.00 C ATOM 753 C GLN A 47 6.795 -5.011 -19.025 1.00 0.00 C ATOM 754 O GLN A 47 7.117 -6.190 -18.859 1.00 0.00 O ATOM 755 CB GLN A 47 4.249 -4.736 -19.195 1.00 0.00 C ATOM 756 CG GLN A 47 2.866 -4.498 -18.535 1.00 0.00 C ATOM 757 CD GLN A 47 2.550 -5.401 -17.326 1.00 0.00 C ATOM 758 OE1 GLN A 47 2.692 -6.623 -17.377 1.00 0.00 O ATOM 759 NE2 GLN A 47 2.104 -4.825 -16.220 1.00 0.00 N ATOM 0 H GLN A 47 4.974 -2.430 -18.429 1.00 0.00 H new ATOM 0 HA GLN A 47 5.436 -5.056 -17.391 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.318 -4.098 -20.076 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.284 -5.768 -19.545 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.808 -3.457 -18.216 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.092 -4.643 -19.289 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.988 -3.812 -16.183 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.876 -5.394 -15.405 1.00 0.00 H new ATOM 768 N LYS A 48 7.548 -4.161 -19.762 1.00 0.00 N ATOM 769 CA LYS A 48 8.938 -4.465 -20.214 1.00 0.00 C ATOM 770 C LYS A 48 9.949 -4.797 -19.065 1.00 0.00 C ATOM 771 O LYS A 48 10.703 -5.762 -19.203 1.00 0.00 O ATOM 772 CB LYS A 48 9.409 -3.275 -21.092 1.00 0.00 C ATOM 773 CG LYS A 48 10.733 -3.487 -21.857 1.00 0.00 C ATOM 774 CD LYS A 48 11.124 -2.247 -22.682 1.00 0.00 C ATOM 775 CE LYS A 48 12.448 -2.429 -23.442 1.00 0.00 C ATOM 776 NZ LYS A 48 12.789 -1.226 -24.221 1.00 0.00 N ATOM 0 H LYS A 48 7.215 -3.245 -20.063 1.00 0.00 H new ATOM 0 HA LYS A 48 8.916 -5.391 -20.789 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.626 -3.049 -21.815 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.516 -2.398 -20.454 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.529 -3.717 -21.149 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.636 -4.348 -22.519 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.329 -2.025 -23.394 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.207 -1.386 -22.018 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.249 -2.646 -22.735 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.371 -3.287 -24.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.687 -1.380 -24.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.035 -1.035 -24.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.886 -0.413 -23.580 1.00 0.00 H new ATOM 790 N VAL A 49 9.941 -4.039 -17.943 1.00 0.00 N ATOM 791 CA VAL A 49 10.707 -4.384 -16.702 1.00 0.00 C ATOM 792 C VAL A 49 10.273 -5.739 -16.064 1.00 0.00 C ATOM 793 O VAL A 49 11.151 -6.506 -15.664 1.00 0.00 O ATOM 794 CB VAL A 49 10.660 -3.263 -15.602 1.00 0.00 C ATOM 795 CG1 VAL A 49 11.756 -3.437 -14.519 1.00 0.00 C ATOM 796 CG2 VAL A 49 10.746 -1.803 -16.114 1.00 0.00 C ATOM 0 H VAL A 49 9.408 -3.173 -17.863 1.00 0.00 H new ATOM 0 HA VAL A 49 11.734 -4.478 -17.054 1.00 0.00 H new ATOM 0 HB VAL A 49 9.664 -3.410 -15.184 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.674 -2.634 -13.786 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.626 -4.398 -14.021 1.00 0.00 H new ATOM 0 HG13 VAL A 49 12.739 -3.402 -14.988 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.704 -1.118 -15.268 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.684 -1.660 -16.650 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.910 -1.603 -16.785 1.00 0.00 H new ATOM 806 N LYS A 50 8.958 -6.016 -15.937 1.00 0.00 N ATOM 807 CA LYS A 50 8.450 -7.263 -15.306 1.00 0.00 C ATOM 808 C LYS A 50 8.780 -8.576 -16.082 1.00 0.00 C ATOM 809 O LYS A 50 9.214 -9.551 -15.462 1.00 0.00 O ATOM 810 CB LYS A 50 6.927 -7.157 -15.021 1.00 0.00 C ATOM 811 CG LYS A 50 6.525 -6.118 -13.951 1.00 0.00 C ATOM 812 CD LYS A 50 4.995 -5.957 -13.826 1.00 0.00 C ATOM 813 CE LYS A 50 4.542 -4.847 -12.862 1.00 0.00 C ATOM 814 NZ LYS A 50 4.800 -5.155 -11.442 1.00 0.00 N ATOM 0 H LYS A 50 8.221 -5.391 -16.264 1.00 0.00 H new ATOM 0 HA LYS A 50 8.995 -7.346 -14.366 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.416 -6.911 -15.952 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.564 -8.136 -14.707 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.935 -6.418 -12.987 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.969 -5.154 -14.201 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.583 -5.752 -14.814 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.570 -6.904 -13.494 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.053 -3.920 -13.123 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.475 -4.672 -12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.471 -4.366 -10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.291 -6.022 -11.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.820 -5.294 -11.297 1.00 0.00 H new ATOM 828 N GLU A 51 8.637 -8.580 -17.423 1.00 0.00 N ATOM 829 CA GLU A 51 9.249 -9.614 -18.307 1.00 0.00 C ATOM 830 C GLU A 51 10.813 -9.690 -18.283 1.00 0.00 C ATOM 831 O GLU A 51 11.347 -10.788 -18.468 1.00 0.00 O ATOM 832 CB GLU A 51 8.759 -9.416 -19.772 1.00 0.00 C ATOM 833 CG GLU A 51 7.243 -9.563 -20.046 1.00 0.00 C ATOM 834 CD GLU A 51 6.682 -10.966 -19.795 1.00 0.00 C ATOM 835 OE1 GLU A 51 6.778 -11.827 -20.697 1.00 0.00 O ATOM 836 OE2 GLU A 51 6.145 -11.215 -18.692 1.00 0.00 O ATOM 0 H GLU A 51 8.100 -7.876 -17.928 1.00 0.00 H new ATOM 0 HA GLU A 51 8.911 -10.566 -17.897 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.064 -8.421 -20.097 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.285 -10.133 -20.402 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.703 -8.853 -19.419 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.046 -9.287 -21.082 1.00 0.00 H new ATOM 843 N LYS A 52 11.531 -8.563 -18.071 1.00 0.00 N ATOM 844 CA LYS A 52 13.023 -8.531 -18.037 1.00 0.00 C ATOM 845 C LYS A 52 13.576 -8.163 -16.619 1.00 0.00 C ATOM 846 O LYS A 52 14.413 -7.264 -16.478 1.00 0.00 O ATOM 847 CB LYS A 52 13.552 -7.574 -19.151 1.00 0.00 C ATOM 848 CG LYS A 52 13.134 -7.842 -20.617 1.00 0.00 C ATOM 849 CD LYS A 52 13.629 -9.182 -21.198 1.00 0.00 C ATOM 850 CE LYS A 52 13.194 -9.384 -22.660 1.00 0.00 C ATOM 851 NZ LYS A 52 13.674 -10.672 -23.191 1.00 0.00 N ATOM 0 H LYS A 52 11.101 -7.651 -17.919 1.00 0.00 H new ATOM 0 HA LYS A 52 13.396 -9.534 -18.242 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.236 -6.562 -18.896 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.641 -7.588 -19.109 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.046 -7.815 -20.680 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.510 -7.031 -21.241 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.717 -9.222 -21.137 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.245 -10.002 -20.591 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.107 -9.344 -22.726 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.581 -8.569 -23.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.364 -10.778 -24.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.713 -10.699 -23.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.284 -11.450 -22.621 1.00 0.00 H new ATOM 865 N LEU A 53 13.162 -8.904 -15.568 1.00 0.00 N ATOM 866 CA LEU A 53 13.740 -8.793 -14.208 1.00 0.00 C ATOM 867 C LEU A 53 15.071 -9.618 -14.138 1.00 0.00 C ATOM 868 O LEU A 53 15.032 -10.833 -14.370 1.00 0.00 O ATOM 869 CB LEU A 53 12.702 -9.339 -13.192 1.00 0.00 C ATOM 870 CG LEU A 53 11.445 -8.478 -12.881 1.00 0.00 C ATOM 871 CD1 LEU A 53 10.419 -9.280 -12.058 1.00 0.00 C ATOM 872 CD2 LEU A 53 11.767 -7.147 -12.169 1.00 0.00 C ATOM 0 H LEU A 53 12.417 -9.597 -15.637 1.00 0.00 H new ATOM 0 HA LEU A 53 13.969 -7.754 -13.970 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.359 -10.307 -13.557 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.222 -9.519 -12.251 1.00 0.00 H new ATOM 0 HG LEU A 53 11.018 -8.220 -13.850 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.549 -8.656 -11.853 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.110 -10.161 -12.621 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.871 -9.592 -11.117 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.842 -6.600 -11.984 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.263 -7.353 -11.220 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.424 -6.547 -12.799 1.00 0.00 H new ATOM 884 N LYS A 54 16.238 -8.992 -13.850 1.00 0.00 N ATOM 885 CA LYS A 54 17.548 -9.703 -13.821 1.00 0.00 C ATOM 886 C LYS A 54 18.591 -8.883 -13.006 1.00 0.00 C ATOM 887 O LYS A 54 18.581 -7.645 -12.999 1.00 0.00 O ATOM 888 CB LYS A 54 18.086 -10.129 -15.227 1.00 0.00 C ATOM 889 CG LYS A 54 18.661 -9.064 -16.194 1.00 0.00 C ATOM 890 CD LYS A 54 17.630 -8.185 -16.927 1.00 0.00 C ATOM 891 CE LYS A 54 18.293 -7.187 -17.893 1.00 0.00 C ATOM 892 NZ LYS A 54 17.294 -6.327 -18.550 1.00 0.00 N ATOM 0 H LYS A 54 16.303 -7.997 -13.634 1.00 0.00 H new ATOM 0 HA LYS A 54 17.373 -10.650 -13.310 1.00 0.00 H new ATOM 0 HB2 LYS A 54 18.866 -10.873 -15.063 1.00 0.00 H new ATOM 0 HB3 LYS A 54 17.271 -10.632 -15.747 1.00 0.00 H new ATOM 0 HG2 LYS A 54 19.327 -8.412 -15.629 1.00 0.00 H new ATOM 0 HG3 LYS A 54 19.271 -9.573 -16.941 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.942 -8.823 -17.483 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.036 -7.638 -16.195 1.00 0.00 H new ATOM 0 HE2 LYS A 54 19.004 -6.568 -17.346 1.00 0.00 H new ATOM 0 HE3 LYS A 54 18.859 -7.732 -18.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.779 -5.591 -19.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.704 -6.902 -19.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.693 -5.880 -17.829 1.00 0.00 H new ATOM 906 N ILE A 55 19.534 -9.599 -12.364 1.00 0.00 N ATOM 907 CA ILE A 55 20.668 -8.980 -11.609 1.00 0.00 C ATOM 908 C ILE A 55 21.692 -8.205 -12.503 1.00 0.00 C ATOM 909 O ILE A 55 21.975 -7.041 -12.204 1.00 0.00 O ATOM 910 CB ILE A 55 21.341 -9.938 -10.561 1.00 0.00 C ATOM 911 CG1 ILE A 55 22.172 -11.142 -11.098 1.00 0.00 C ATOM 912 CG2 ILE A 55 20.367 -10.381 -9.439 1.00 0.00 C ATOM 913 CD1 ILE A 55 21.430 -12.185 -11.944 1.00 0.00 C ATOM 0 H ILE A 55 19.542 -10.619 -12.347 1.00 0.00 H new ATOM 0 HA ILE A 55 20.191 -8.205 -11.009 1.00 0.00 H new ATOM 0 HB ILE A 55 22.105 -9.283 -10.141 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.994 -10.746 -11.695 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.616 -11.654 -10.244 1.00 0.00 H new ATOM 0 HG21 ILE A 55 20.887 -11.041 -8.745 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.006 -9.503 -8.903 1.00 0.00 H new ATOM 0 HG23 ILE A 55 19.522 -10.911 -9.879 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.126 -12.966 -12.251 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.626 -12.627 -11.355 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.010 -11.705 -12.828 1.00 0.00 H new ATOM 925 N ASP A 56 22.225 -8.828 -13.577 1.00 0.00 N ATOM 926 CA ASP A 56 23.192 -8.181 -14.506 1.00 0.00 C ATOM 927 C ASP A 56 22.517 -8.065 -15.905 1.00 0.00 C ATOM 928 O ASP A 56 21.818 -7.073 -16.137 1.00 0.00 O ATOM 929 CB ASP A 56 24.568 -8.908 -14.455 1.00 0.00 C ATOM 930 CG ASP A 56 25.372 -8.692 -13.164 1.00 0.00 C ATOM 931 OD1 ASP A 56 25.999 -7.621 -13.013 1.00 0.00 O ATOM 932 OD2 ASP A 56 25.377 -9.594 -12.296 1.00 0.00 O ATOM 0 H ASP A 56 22.001 -9.791 -13.828 1.00 0.00 H new ATOM 0 HA ASP A 56 23.437 -7.162 -14.208 1.00 0.00 H new ATOM 0 HB2 ASP A 56 24.402 -9.977 -14.586 1.00 0.00 H new ATOM 0 HB3 ASP A 56 25.170 -8.573 -15.300 1.00 0.00 H new ATOM 937 N SER A 57 22.708 -9.038 -16.823 1.00 0.00 N ATOM 938 CA SER A 57 22.118 -8.998 -18.186 1.00 0.00 C ATOM 939 C SER A 57 21.851 -10.447 -18.645 1.00 0.00 C ATOM 940 O SER A 57 20.667 -10.805 -18.831 1.00 0.00 O ATOM 941 CB SER A 57 23.032 -8.225 -19.167 1.00 0.00 C ATOM 942 OG SER A 57 22.409 -8.090 -20.439 1.00 0.00 O ATOM 943 OXT SER A 57 22.812 -11.231 -18.832 1.00 0.00 O ATOM 0 H SER A 57 23.271 -9.870 -16.645 1.00 0.00 H new ATOM 0 HA SER A 57 21.172 -8.456 -18.170 1.00 0.00 H new ATOM 0 HB2 SER A 57 23.257 -7.239 -18.761 1.00 0.00 H new ATOM 0 HB3 SER A 57 23.981 -8.749 -19.276 1.00 0.00 H new ATOM 0 HG SER A 57 23.003 -7.597 -21.043 1.00 0.00 H new TER 949 SER A 57