USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 753 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : 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 12 MET CE :methyl 172:sc= 0 (180deg=-0.1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.383 X(o=-0.38,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -129:sc= -0.0384 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 98:sc= 0.232 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 138:sc= 0.437 (180deg=0.000118) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -164:sc= -0.236 (180deg=-0.817) USER MOD Single : A 69 MET CE :methyl -111:sc= -0.895 (180deg=-2.11) USER MOD Single : A 70 ASN : amide:sc= -0.0677 X(o=-0.068,f=-0.028) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.309 -3.479 8.788 1.00 0.00 N ATOM 2 CA GLY A 1 -19.722 -2.291 9.512 1.00 0.00 C ATOM 3 C GLY A 1 -18.674 -1.198 9.481 1.00 0.00 C ATOM 4 O GLY A 1 -18.226 -0.729 10.527 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.061 -4.196 8.840 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.131 -3.235 7.793 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.439 -3.859 9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.650 -1.912 9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.935 -2.556 10.548 1.00 0.00 H new ATOM 8 N SER A 2 -18.280 -0.793 8.278 1.00 0.00 N ATOM 9 CA SER A 2 -17.271 0.249 8.115 1.00 0.00 C ATOM 10 C SER A 2 -17.927 1.617 7.948 1.00 0.00 C ATOM 11 O SER A 2 -19.109 1.716 7.621 1.00 0.00 O ATOM 12 CB SER A 2 -16.385 -0.056 6.905 1.00 0.00 C ATOM 13 OG SER A 2 -15.290 -0.878 7.270 1.00 0.00 O ATOM 0 H SER A 2 -18.643 -1.170 7.402 1.00 0.00 H new ATOM 0 HA SER A 2 -16.653 0.268 9.013 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.975 -0.552 6.134 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.017 0.876 6.475 1.00 0.00 H new ATOM 0 HG SER A 2 -14.740 -1.060 6.480 1.00 0.00 H new ATOM 19 N SER A 3 -17.148 2.669 8.176 1.00 0.00 N ATOM 20 CA SER A 3 -17.652 4.032 8.056 1.00 0.00 C ATOM 21 C SER A 3 -16.529 4.995 7.684 1.00 0.00 C ATOM 22 O SER A 3 -16.223 5.927 8.426 1.00 0.00 O ATOM 23 CB SER A 3 -18.306 4.475 9.366 1.00 0.00 C ATOM 24 OG SER A 3 -17.489 4.151 10.478 1.00 0.00 O ATOM 0 H SER A 3 -16.166 2.604 8.445 1.00 0.00 H new ATOM 0 HA SER A 3 -18.399 4.048 7.263 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.484 5.550 9.342 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.278 3.993 9.472 1.00 0.00 H new ATOM 0 HG SER A 3 -17.928 4.446 11.303 1.00 0.00 H new ATOM 30 N GLY A 4 -15.917 4.764 6.526 1.00 0.00 N ATOM 31 CA GLY A 4 -14.835 5.618 6.074 1.00 0.00 C ATOM 32 C GLY A 4 -13.731 5.749 7.105 1.00 0.00 C ATOM 33 O GLY A 4 -13.063 4.770 7.439 1.00 0.00 O ATOM 0 H GLY A 4 -16.152 4.000 5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.420 5.215 5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.230 6.607 5.841 1.00 0.00 H new ATOM 37 N SER A 5 -13.536 6.963 7.611 1.00 0.00 N ATOM 38 CA SER A 5 -12.503 7.221 8.606 1.00 0.00 C ATOM 39 C SER A 5 -12.712 8.579 9.268 1.00 0.00 C ATOM 40 O SER A 5 -13.699 9.266 9.003 1.00 0.00 O ATOM 41 CB SER A 5 -11.118 7.164 7.959 1.00 0.00 C ATOM 42 OG SER A 5 -10.292 6.209 8.602 1.00 0.00 O ATOM 0 H SER A 5 -14.081 7.784 7.347 1.00 0.00 H new ATOM 0 HA SER A 5 -12.571 6.449 9.373 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.217 6.911 6.903 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.649 8.147 8.009 1.00 0.00 H new ATOM 0 HG SER A 5 -9.413 6.191 8.168 1.00 0.00 H new ATOM 48 N SER A 6 -11.776 8.959 10.133 1.00 0.00 N ATOM 49 CA SER A 6 -11.860 10.234 10.836 1.00 0.00 C ATOM 50 C SER A 6 -10.698 11.145 10.449 1.00 0.00 C ATOM 51 O SER A 6 -9.599 11.032 10.989 1.00 0.00 O ATOM 52 CB SER A 6 -11.860 10.005 12.350 1.00 0.00 C ATOM 53 OG SER A 6 -11.475 8.679 12.665 1.00 0.00 O ATOM 0 H SER A 6 -10.952 8.403 10.363 1.00 0.00 H new ATOM 0 HA SER A 6 -12.792 10.720 10.548 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.178 10.708 12.827 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.854 10.203 12.751 1.00 0.00 H new ATOM 0 HG SER A 6 -11.481 8.559 13.638 1.00 0.00 H new ATOM 59 N GLY A 7 -10.953 12.050 9.508 1.00 0.00 N ATOM 60 CA GLY A 7 -9.921 12.967 9.064 1.00 0.00 C ATOM 61 C GLY A 7 -10.407 13.903 7.974 1.00 0.00 C ATOM 62 O GLY A 7 -11.285 13.546 7.187 1.00 0.00 O ATOM 0 H GLY A 7 -11.855 12.164 9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.571 13.554 9.913 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.067 12.398 8.696 1.00 0.00 H new ATOM 66 N ASP A 8 -9.838 15.101 7.928 1.00 0.00 N ATOM 67 CA ASP A 8 -10.219 16.091 6.927 1.00 0.00 C ATOM 68 C ASP A 8 -9.605 15.757 5.571 1.00 0.00 C ATOM 69 O ASP A 8 -8.600 15.053 5.474 1.00 0.00 O ATOM 70 CB ASP A 8 -9.782 17.489 7.368 1.00 0.00 C ATOM 71 CG ASP A 8 -10.879 18.235 8.101 1.00 0.00 C ATOM 72 OD1 ASP A 8 -11.763 17.570 8.680 1.00 0.00 O ATOM 73 OD2 ASP A 8 -10.855 19.483 8.094 1.00 0.00 O ATOM 0 H ASP A 8 -9.111 15.411 8.572 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.304 16.072 6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.909 17.406 8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.478 18.064 6.493 1.00 0.00 H new ATOM 78 N PRO A 9 -10.223 16.273 4.498 1.00 0.00 N ATOM 79 CA PRO A 9 -9.755 16.043 3.128 1.00 0.00 C ATOM 80 C PRO A 9 -8.439 16.757 2.837 1.00 0.00 C ATOM 81 O PRO A 9 -7.559 16.210 2.175 1.00 0.00 O ATOM 82 CB PRO A 9 -10.880 16.622 2.267 1.00 0.00 C ATOM 83 CG PRO A 9 -11.533 17.642 3.132 1.00 0.00 C ATOM 84 CD PRO A 9 -11.425 17.122 4.540 1.00 0.00 C ATOM 0 HA PRO A 9 -9.554 14.989 2.938 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.489 17.070 1.353 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.586 15.848 1.966 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.040 18.609 3.034 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.576 17.785 2.848 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.319 17.933 5.261 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.309 16.553 4.827 1.00 0.00 H new ATOM 92 N GLU A 10 -8.314 17.983 3.336 1.00 0.00 N ATOM 93 CA GLU A 10 -7.106 18.772 3.128 1.00 0.00 C ATOM 94 C GLU A 10 -5.881 18.048 3.680 1.00 0.00 C ATOM 95 O GLU A 10 -4.770 18.210 3.176 1.00 0.00 O ATOM 96 CB GLU A 10 -7.244 20.143 3.793 1.00 0.00 C ATOM 97 CG GLU A 10 -7.384 21.288 2.804 1.00 0.00 C ATOM 98 CD GLU A 10 -6.071 21.643 2.134 1.00 0.00 C ATOM 99 OE1 GLU A 10 -5.007 21.377 2.731 1.00 0.00 O ATOM 100 OE2 GLU A 10 -6.107 22.190 1.011 1.00 0.00 O ATOM 0 H GLU A 10 -9.034 18.451 3.887 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.973 18.909 2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.114 20.133 4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.372 20.322 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.115 21.018 2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.772 22.165 3.322 1.00 0.00 H new ATOM 107 N VAL A 11 -6.093 17.247 4.720 1.00 0.00 N ATOM 108 CA VAL A 11 -5.008 16.498 5.341 1.00 0.00 C ATOM 109 C VAL A 11 -4.438 15.459 4.382 1.00 0.00 C ATOM 110 O VAL A 11 -3.226 15.385 4.181 1.00 0.00 O ATOM 111 CB VAL A 11 -5.479 15.789 6.626 1.00 0.00 C ATOM 112 CG1 VAL A 11 -4.299 15.164 7.354 1.00 0.00 C ATOM 113 CG2 VAL A 11 -6.219 16.763 7.530 1.00 0.00 C ATOM 0 H VAL A 11 -7.006 17.101 5.150 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.231 17.219 5.595 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.168 14.991 6.349 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.651 14.668 8.259 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.816 14.434 6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.583 15.941 7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.545 16.246 8.433 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.555 17.584 7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.088 17.158 7.005 1.00 0.00 H new ATOM 123 N MET A 12 -5.320 14.660 3.791 1.00 0.00 N ATOM 124 CA MET A 12 -4.903 13.626 2.850 1.00 0.00 C ATOM 125 C MET A 12 -4.342 14.246 1.574 1.00 0.00 C ATOM 126 O MET A 12 -3.472 13.669 0.924 1.00 0.00 O ATOM 127 CB MET A 12 -6.082 12.711 2.510 1.00 0.00 C ATOM 128 CG MET A 12 -6.260 11.560 3.487 1.00 0.00 C ATOM 129 SD MET A 12 -6.969 12.088 5.060 1.00 0.00 S ATOM 130 CE MET A 12 -5.809 11.361 6.214 1.00 0.00 C ATOM 0 H MET A 12 -6.327 14.708 3.946 1.00 0.00 H new ATOM 0 HA MET A 12 -4.118 13.036 3.322 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.997 13.303 2.489 1.00 0.00 H new ATOM 0 HB3 MET A 12 -5.941 12.307 1.507 1.00 0.00 H new ATOM 0 HG2 MET A 12 -6.904 10.804 3.038 1.00 0.00 H new ATOM 0 HG3 MET A 12 -5.294 11.089 3.668 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.028 11.715 7.221 1.00 0.00 H new ATOM 0 HE2 MET A 12 -5.898 10.275 6.184 1.00 0.00 H new ATOM 0 HE3 MET A 12 -4.794 11.650 5.940 1.00 0.00 H new ATOM 140 N ALA A 13 -4.846 15.424 1.223 1.00 0.00 N ATOM 141 CA ALA A 13 -4.393 16.123 0.026 1.00 0.00 C ATOM 142 C ALA A 13 -2.877 16.294 0.032 1.00 0.00 C ATOM 143 O ALA A 13 -2.248 16.375 -1.023 1.00 0.00 O ATOM 144 CB ALA A 13 -5.079 17.477 -0.086 1.00 0.00 C ATOM 0 H ALA A 13 -5.568 15.915 1.750 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.661 15.520 -0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.731 17.988 -0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.158 17.334 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.839 18.080 0.790 1.00 0.00 H new ATOM 150 N LYS A 14 -2.297 16.350 1.225 1.00 0.00 N ATOM 151 CA LYS A 14 -0.855 16.511 1.369 1.00 0.00 C ATOM 152 C LYS A 14 -0.188 15.176 1.688 1.00 0.00 C ATOM 153 O LYS A 14 0.740 15.113 2.495 1.00 0.00 O ATOM 154 CB LYS A 14 -0.542 17.526 2.470 1.00 0.00 C ATOM 155 CG LYS A 14 0.673 18.388 2.175 1.00 0.00 C ATOM 156 CD LYS A 14 0.925 19.395 3.285 1.00 0.00 C ATOM 157 CE LYS A 14 1.255 18.705 4.599 1.00 0.00 C ATOM 158 NZ LYS A 14 2.581 19.126 5.130 1.00 0.00 N ATOM 0 H LYS A 14 -2.804 16.286 2.108 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.459 16.878 0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.408 18.171 2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.381 16.994 3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.550 17.753 2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.527 18.914 1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.747 20.052 3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.044 20.024 3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.481 18.932 5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.249 17.625 4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.768 18.633 6.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.323 18.886 4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.579 20.153 5.293 1.00 0.00 H new ATOM 172 N VAL A 15 -0.666 14.114 1.049 1.00 0.00 N ATOM 173 CA VAL A 15 -0.113 12.782 1.263 1.00 0.00 C ATOM 174 C VAL A 15 0.209 12.100 -0.062 1.00 0.00 C ATOM 175 O VAL A 15 -0.686 11.794 -0.850 1.00 0.00 O ATOM 176 CB VAL A 15 -1.086 11.892 2.062 1.00 0.00 C ATOM 177 CG1 VAL A 15 -0.469 10.526 2.323 1.00 0.00 C ATOM 178 CG2 VAL A 15 -1.476 12.569 3.367 1.00 0.00 C ATOM 0 H VAL A 15 -1.434 14.150 0.379 1.00 0.00 H new ATOM 0 HA VAL A 15 0.806 12.910 1.835 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.990 11.748 1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.170 9.912 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.245 10.040 1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.451 10.646 2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.163 11.927 3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.583 12.745 3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.962 13.521 3.152 1.00 0.00 H new ATOM 188 N LYS A 16 1.495 11.865 -0.303 1.00 0.00 N ATOM 189 CA LYS A 16 1.937 11.219 -1.533 1.00 0.00 C ATOM 190 C LYS A 16 2.869 10.050 -1.228 1.00 0.00 C ATOM 191 O LYS A 16 3.708 9.681 -2.050 1.00 0.00 O ATOM 192 CB LYS A 16 2.647 12.228 -2.437 1.00 0.00 C ATOM 193 CG LYS A 16 3.748 13.005 -1.734 1.00 0.00 C ATOM 194 CD LYS A 16 4.513 13.889 -2.705 1.00 0.00 C ATOM 195 CE LYS A 16 5.971 13.468 -2.811 1.00 0.00 C ATOM 196 NZ LYS A 16 6.808 14.094 -1.750 1.00 0.00 N ATOM 0 H LYS A 16 2.249 12.112 0.338 1.00 0.00 H new ATOM 0 HA LYS A 16 1.057 10.835 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.074 11.701 -3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.912 12.930 -2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.314 13.620 -0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.436 12.309 -1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.046 13.840 -3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.456 14.927 -2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.042 12.383 -2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.359 13.746 -3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.794 13.782 -1.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.761 15.129 -1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.454 13.808 -0.815 1.00 0.00 H new ATOM 210 N VAL A 17 2.714 9.470 -0.042 1.00 0.00 N ATOM 211 CA VAL A 17 3.539 8.341 0.370 1.00 0.00 C ATOM 212 C VAL A 17 2.696 7.256 1.031 1.00 0.00 C ATOM 213 O VAL A 17 2.155 7.452 2.120 1.00 0.00 O ATOM 214 CB VAL A 17 4.646 8.782 1.347 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.603 7.633 1.624 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.392 9.987 0.797 1.00 0.00 C ATOM 0 H VAL A 17 2.025 9.764 0.650 1.00 0.00 H new ATOM 0 HA VAL A 17 4.000 7.940 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 17 4.181 9.071 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.378 7.963 2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.054 6.801 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.064 7.310 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.170 10.285 1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.846 9.728 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.695 10.813 0.656 1.00 0.00 H new ATOM 226 N LEU A 18 2.590 6.111 0.366 1.00 0.00 N ATOM 227 CA LEU A 18 1.812 4.992 0.889 1.00 0.00 C ATOM 228 C LEU A 18 2.667 4.112 1.796 1.00 0.00 C ATOM 229 O LEU A 18 3.819 3.812 1.481 1.00 0.00 O ATOM 230 CB LEU A 18 1.244 4.159 -0.261 1.00 0.00 C ATOM 231 CG LEU A 18 0.538 4.940 -1.371 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.350 4.066 -2.601 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.801 5.470 -0.880 1.00 0.00 C ATOM 0 H LEU A 18 3.032 5.932 -0.536 1.00 0.00 H new ATOM 0 HA LEU A 18 0.989 5.397 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.059 3.589 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.539 3.438 0.153 1.00 0.00 H new ATOM 0 HG LEU A 18 1.163 5.789 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.154 4.638 -3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.323 3.736 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.254 3.197 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.290 6.023 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.433 4.636 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.640 6.132 -0.029 1.00 0.00 H new ATOM 245 N PHE A 19 2.095 3.701 2.922 1.00 0.00 N ATOM 246 CA PHE A 19 2.803 2.854 3.874 1.00 0.00 C ATOM 247 C PHE A 19 2.347 1.402 3.755 1.00 0.00 C ATOM 248 O PHE A 19 1.273 1.036 4.234 1.00 0.00 O ATOM 249 CB PHE A 19 2.577 3.355 5.302 1.00 0.00 C ATOM 250 CG PHE A 19 3.534 2.770 6.301 1.00 0.00 C ATOM 251 CD1 PHE A 19 4.752 3.379 6.553 1.00 0.00 C ATOM 252 CD2 PHE A 19 3.215 1.610 6.989 1.00 0.00 C ATOM 253 CE1 PHE A 19 5.635 2.844 7.472 1.00 0.00 C ATOM 254 CE2 PHE A 19 4.093 1.069 7.909 1.00 0.00 C ATOM 255 CZ PHE A 19 5.305 1.687 8.151 1.00 0.00 C ATOM 0 H PHE A 19 1.143 3.941 3.198 1.00 0.00 H new ATOM 0 HA PHE A 19 3.867 2.903 3.643 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.668 4.441 5.316 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.557 3.117 5.605 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.015 4.283 6.025 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.269 1.123 6.804 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.581 3.330 7.659 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.832 0.164 8.438 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.993 1.266 8.870 1.00 0.00 H new ATOM 265 N VAL A 20 3.170 0.580 3.113 1.00 0.00 N ATOM 266 CA VAL A 20 2.854 -0.831 2.930 1.00 0.00 C ATOM 267 C VAL A 20 3.501 -1.685 4.016 1.00 0.00 C ATOM 268 O VAL A 20 4.724 -1.820 4.066 1.00 0.00 O ATOM 269 CB VAL A 20 3.316 -1.337 1.551 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.808 -2.749 1.302 1.00 0.00 C ATOM 271 CG2 VAL A 20 2.849 -0.393 0.454 1.00 0.00 C ATOM 0 H VAL A 20 4.062 0.867 2.710 1.00 0.00 H new ATOM 0 HA VAL A 20 1.770 -0.923 2.997 1.00 0.00 H new ATOM 0 HB VAL A 20 4.406 -1.361 1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.145 -3.089 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.196 -3.416 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.718 -2.754 1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.184 -0.766 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.761 -0.335 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.267 0.599 0.625 1.00 0.00 H new ATOM 281 N ARG A 21 2.673 -2.259 4.882 1.00 0.00 N ATOM 282 CA ARG A 21 3.164 -3.100 5.967 1.00 0.00 C ATOM 283 C ARG A 21 2.934 -4.576 5.659 1.00 0.00 C ATOM 284 O ARG A 21 2.206 -4.919 4.728 1.00 0.00 O ATOM 285 CB ARG A 21 2.473 -2.728 7.281 1.00 0.00 C ATOM 286 CG ARG A 21 3.379 -2.835 8.497 1.00 0.00 C ATOM 287 CD ARG A 21 2.697 -2.304 9.748 1.00 0.00 C ATOM 288 NE ARG A 21 2.989 -3.124 10.920 1.00 0.00 N ATOM 289 CZ ARG A 21 2.603 -2.810 12.152 1.00 0.00 C ATOM 290 NH1 ARG A 21 1.913 -1.700 12.370 1.00 0.00 N ATOM 291 NH2 ARG A 21 2.908 -3.607 13.167 1.00 0.00 N ATOM 0 H ARG A 21 1.659 -2.157 4.854 1.00 0.00 H new ATOM 0 HA ARG A 21 4.236 -2.931 6.067 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.097 -1.708 7.208 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.609 -3.377 7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.663 -3.876 8.650 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.298 -2.277 8.318 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.023 -1.280 9.932 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.619 -2.272 9.587 1.00 0.00 H new ATOM 0 HE ARG A 21 3.518 -3.985 10.786 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.677 -1.085 11.591 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.618 -1.461 13.317 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.439 -4.462 13.002 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.611 -3.365 14.112 1.00 0.00 H new ATOM 305 N ASN A 22 3.562 -5.445 6.445 1.00 0.00 N ATOM 306 CA ASN A 22 3.427 -6.884 6.255 1.00 0.00 C ATOM 307 C ASN A 22 3.838 -7.287 4.843 1.00 0.00 C ATOM 308 O ASN A 22 2.992 -7.599 4.003 1.00 0.00 O ATOM 309 CB ASN A 22 1.985 -7.321 6.523 1.00 0.00 C ATOM 310 CG ASN A 22 1.659 -7.360 8.004 1.00 0.00 C ATOM 311 OD1 ASN A 22 2.172 -8.201 8.742 1.00 0.00 O ATOM 312 ND2 ASN A 22 0.801 -6.447 8.444 1.00 0.00 N ATOM 0 H ASN A 22 4.169 -5.177 7.219 1.00 0.00 H new ATOM 0 HA ASN A 22 4.089 -7.383 6.963 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.301 -6.636 6.021 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.821 -8.308 6.091 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.542 -6.424 9.430 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.401 -5.769 7.796 1.00 0.00 H new ATOM 319 N LEU A 23 5.142 -7.280 4.587 1.00 0.00 N ATOM 320 CA LEU A 23 5.666 -7.645 3.276 1.00 0.00 C ATOM 321 C LEU A 23 6.314 -9.025 3.314 1.00 0.00 C ATOM 322 O LEU A 23 6.377 -9.663 4.365 1.00 0.00 O ATOM 323 CB LEU A 23 6.683 -6.605 2.803 1.00 0.00 C ATOM 324 CG LEU A 23 6.110 -5.389 2.075 1.00 0.00 C ATOM 325 CD1 LEU A 23 5.009 -4.741 2.901 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.211 -4.384 1.768 1.00 0.00 C ATOM 0 H LEU A 23 5.855 -7.026 5.270 1.00 0.00 H new ATOM 0 HA LEU A 23 4.832 -7.674 2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.243 -6.254 3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.395 -7.097 2.141 1.00 0.00 H new ATOM 0 HG LEU A 23 5.678 -5.724 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.614 -3.877 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.208 -5.461 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.415 -4.419 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.785 -3.525 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.672 -4.054 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.965 -4.852 1.135 1.00 0.00 H new ATOM 338 N ALA A 24 6.797 -9.479 2.162 1.00 0.00 N ATOM 339 CA ALA A 24 7.443 -10.782 2.065 1.00 0.00 C ATOM 340 C ALA A 24 8.958 -10.636 1.960 1.00 0.00 C ATOM 341 O ALA A 24 9.461 -9.668 1.389 1.00 0.00 O ATOM 342 CB ALA A 24 6.901 -11.553 0.870 1.00 0.00 C ATOM 0 H ALA A 24 6.753 -8.964 1.283 1.00 0.00 H new ATOM 0 HA ALA A 24 7.219 -11.340 2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.393 -12.524 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.827 -11.697 0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.095 -10.991 -0.044 1.00 0.00 H new ATOM 348 N THR A 25 9.681 -11.604 2.514 1.00 0.00 N ATOM 349 CA THR A 25 11.138 -11.583 2.484 1.00 0.00 C ATOM 350 C THR A 25 11.670 -12.180 1.187 1.00 0.00 C ATOM 351 O THR A 25 12.779 -11.864 0.753 1.00 0.00 O ATOM 352 CB THR A 25 11.736 -12.355 3.675 1.00 0.00 C ATOM 353 OG1 THR A 25 10.990 -12.073 4.865 1.00 0.00 O ATOM 354 CG2 THR A 25 13.195 -11.980 3.885 1.00 0.00 C ATOM 0 H THR A 25 9.281 -12.413 2.989 1.00 0.00 H new ATOM 0 HA THR A 25 11.440 -10.538 2.550 1.00 0.00 H new ATOM 0 HB THR A 25 11.679 -13.421 3.454 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.375 -12.569 5.618 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.596 -12.538 4.731 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.766 -12.222 2.988 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.271 -10.911 4.086 1.00 0.00 H new ATOM 362 N THR A 26 10.872 -13.046 0.569 1.00 0.00 N ATOM 363 CA THR A 26 11.264 -13.688 -0.679 1.00 0.00 C ATOM 364 C THR A 26 11.218 -12.703 -1.842 1.00 0.00 C ATOM 365 O THR A 26 11.978 -12.827 -2.804 1.00 0.00 O ATOM 366 CB THR A 26 10.354 -14.890 -1.002 1.00 0.00 C ATOM 367 OG1 THR A 26 9.018 -14.439 -1.250 1.00 0.00 O ATOM 368 CG2 THR A 26 10.354 -15.890 0.143 1.00 0.00 C ATOM 0 H THR A 26 9.951 -13.318 0.913 1.00 0.00 H new ATOM 0 HA THR A 26 12.287 -14.041 -0.546 1.00 0.00 H new ATOM 0 HB THR A 26 10.741 -15.383 -1.894 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.391 -14.957 -0.703 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.705 -16.729 -0.107 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.368 -16.252 0.310 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.988 -15.406 1.049 1.00 0.00 H new ATOM 376 N VAL A 27 10.323 -11.726 -1.749 1.00 0.00 N ATOM 377 CA VAL A 27 10.180 -10.718 -2.793 1.00 0.00 C ATOM 378 C VAL A 27 11.332 -9.721 -2.757 1.00 0.00 C ATOM 379 O VAL A 27 12.040 -9.609 -1.755 1.00 0.00 O ATOM 380 CB VAL A 27 8.850 -9.954 -2.657 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.675 -10.920 -2.664 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.849 -9.110 -1.391 1.00 0.00 C ATOM 0 H VAL A 27 9.685 -11.611 -0.961 1.00 0.00 H new ATOM 0 HA VAL A 27 10.191 -11.247 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 27 8.745 -9.287 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.744 -10.361 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.668 -11.477 -3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.770 -11.615 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.902 -8.577 -1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.977 -9.756 -0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.668 -8.392 -1.432 1.00 0.00 H new ATOM 392 N THR A 28 11.517 -8.997 -3.856 1.00 0.00 N ATOM 393 CA THR A 28 12.584 -8.009 -3.951 1.00 0.00 C ATOM 394 C THR A 28 12.045 -6.660 -4.411 1.00 0.00 C ATOM 395 O THR A 28 10.912 -6.561 -4.881 1.00 0.00 O ATOM 396 CB THR A 28 13.688 -8.466 -4.923 1.00 0.00 C ATOM 397 OG1 THR A 28 14.752 -7.508 -4.942 1.00 0.00 O ATOM 398 CG2 THR A 28 13.133 -8.645 -6.327 1.00 0.00 C ATOM 0 H THR A 28 10.941 -9.077 -4.694 1.00 0.00 H new ATOM 0 HA THR A 28 13.009 -7.906 -2.952 1.00 0.00 H new ATOM 0 HB THR A 28 14.071 -9.426 -4.577 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.450 -7.807 -5.561 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.931 -8.968 -6.995 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.344 -9.397 -6.313 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.725 -7.698 -6.680 1.00 0.00 H new ATOM 406 N GLU A 29 12.865 -5.621 -4.274 1.00 0.00 N ATOM 407 CA GLU A 29 12.468 -4.278 -4.676 1.00 0.00 C ATOM 408 C GLU A 29 11.991 -4.262 -6.126 1.00 0.00 C ATOM 409 O GLU A 29 11.166 -3.433 -6.508 1.00 0.00 O ATOM 410 CB GLU A 29 13.635 -3.304 -4.500 1.00 0.00 C ATOM 411 CG GLU A 29 14.020 -3.069 -3.050 1.00 0.00 C ATOM 412 CD GLU A 29 15.519 -3.123 -2.828 1.00 0.00 C ATOM 413 OE1 GLU A 29 16.261 -2.540 -3.646 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.951 -3.749 -1.837 1.00 0.00 O ATOM 0 H GLU A 29 13.807 -5.685 -3.888 1.00 0.00 H new ATOM 0 HA GLU A 29 11.642 -3.964 -4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.501 -3.687 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.372 -2.350 -4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.644 -2.097 -2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.537 -3.819 -2.424 1.00 0.00 H new ATOM 421 N GLU A 30 12.518 -5.183 -6.926 1.00 0.00 N ATOM 422 CA GLU A 30 12.147 -5.274 -8.333 1.00 0.00 C ATOM 423 C GLU A 30 10.689 -5.699 -8.485 1.00 0.00 C ATOM 424 O GLU A 30 9.986 -5.232 -9.382 1.00 0.00 O ATOM 425 CB GLU A 30 13.058 -6.265 -9.060 1.00 0.00 C ATOM 426 CG GLU A 30 13.591 -5.744 -10.384 1.00 0.00 C ATOM 427 CD GLU A 30 12.630 -5.979 -11.533 1.00 0.00 C ATOM 428 OE1 GLU A 30 12.265 -7.148 -11.773 1.00 0.00 O ATOM 429 OE2 GLU A 30 12.243 -4.991 -12.193 1.00 0.00 O ATOM 0 H GLU A 30 13.203 -5.876 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 30 12.267 -4.287 -8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.899 -6.515 -8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.507 -7.189 -9.238 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.792 -4.676 -10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.541 -6.230 -10.605 1.00 0.00 H new ATOM 436 N ILE A 31 10.243 -6.588 -7.604 1.00 0.00 N ATOM 437 CA ILE A 31 8.870 -7.076 -7.639 1.00 0.00 C ATOM 438 C ILE A 31 7.897 -6.017 -7.133 1.00 0.00 C ATOM 439 O ILE A 31 6.974 -5.616 -7.843 1.00 0.00 O ATOM 440 CB ILE A 31 8.706 -8.354 -6.797 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.662 -9.442 -7.289 1.00 0.00 C ATOM 442 CG2 ILE A 31 7.265 -8.842 -6.852 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.754 -10.632 -6.358 1.00 0.00 C ATOM 0 H ILE A 31 10.813 -6.985 -6.857 1.00 0.00 H new ATOM 0 HA ILE A 31 8.643 -7.306 -8.680 1.00 0.00 H new ATOM 0 HB ILE A 31 8.952 -8.123 -5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.336 -9.784 -8.271 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.656 -9.012 -7.415 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.164 -9.746 -6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.604 -8.070 -6.458 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.994 -9.060 -7.885 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.449 -11.363 -6.770 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.109 -10.303 -5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.769 -11.087 -6.251 1.00 0.00 H new ATOM 455 N LEU A 32 8.111 -5.567 -5.901 1.00 0.00 N ATOM 456 CA LEU A 32 7.253 -4.552 -5.299 1.00 0.00 C ATOM 457 C LEU A 32 7.119 -3.339 -6.214 1.00 0.00 C ATOM 458 O LEU A 32 6.096 -2.654 -6.207 1.00 0.00 O ATOM 459 CB LEU A 32 7.814 -4.122 -3.942 1.00 0.00 C ATOM 460 CG LEU A 32 7.584 -5.091 -2.783 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.706 -4.980 -1.762 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.237 -4.829 -2.127 1.00 0.00 C ATOM 0 H LEU A 32 8.870 -5.888 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 32 6.264 -4.986 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.887 -3.963 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.374 -3.160 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 32 7.581 -6.106 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.524 -5.678 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.657 -5.219 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.742 -3.963 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.091 -5.529 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.211 -3.809 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.443 -4.962 -2.861 1.00 0.00 H new ATOM 474 N GLU A 33 8.158 -3.080 -7.002 1.00 0.00 N ATOM 475 CA GLU A 33 8.155 -1.951 -7.924 1.00 0.00 C ATOM 476 C GLU A 33 7.225 -2.215 -9.104 1.00 0.00 C ATOM 477 O GLU A 33 6.479 -1.334 -9.531 1.00 0.00 O ATOM 478 CB GLU A 33 9.573 -1.672 -8.428 1.00 0.00 C ATOM 479 CG GLU A 33 10.347 -0.695 -7.560 1.00 0.00 C ATOM 480 CD GLU A 33 11.843 -0.937 -7.602 1.00 0.00 C ATOM 481 OE1 GLU A 33 12.356 -1.290 -8.684 1.00 0.00 O ATOM 482 OE2 GLU A 33 12.501 -0.772 -6.553 1.00 0.00 O ATOM 0 H GLU A 33 9.012 -3.637 -7.020 1.00 0.00 H new ATOM 0 HA GLU A 33 7.790 -1.076 -7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.122 -2.612 -8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.518 -1.278 -9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.138 0.323 -7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.999 -0.775 -6.530 1.00 0.00 H new ATOM 489 N LYS A 34 7.277 -3.435 -9.629 1.00 0.00 N ATOM 490 CA LYS A 34 6.441 -3.818 -10.761 1.00 0.00 C ATOM 491 C LYS A 34 4.991 -4.009 -10.325 1.00 0.00 C ATOM 492 O LYS A 34 4.069 -3.863 -11.126 1.00 0.00 O ATOM 493 CB LYS A 34 6.968 -5.105 -11.398 1.00 0.00 C ATOM 494 CG LYS A 34 7.846 -4.867 -12.613 1.00 0.00 C ATOM 495 CD LYS A 34 9.176 -5.591 -12.491 1.00 0.00 C ATOM 496 CE LYS A 34 9.567 -6.265 -13.797 1.00 0.00 C ATOM 497 NZ LYS A 34 9.445 -7.747 -13.716 1.00 0.00 N ATOM 0 H LYS A 34 7.890 -4.176 -9.288 1.00 0.00 H new ATOM 0 HA LYS A 34 6.478 -3.015 -11.497 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.536 -5.663 -10.653 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.123 -5.729 -11.688 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.327 -5.206 -13.510 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.022 -3.798 -12.732 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.951 -4.882 -12.200 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.113 -6.338 -11.700 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.933 -5.892 -14.602 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.593 -5.999 -14.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.721 -8.168 -14.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.069 -8.106 -12.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.460 -8.003 -13.500 1.00 0.00 H new ATOM 511 N SER A 35 4.799 -4.336 -9.051 1.00 0.00 N ATOM 512 CA SER A 35 3.463 -4.549 -8.510 1.00 0.00 C ATOM 513 C SER A 35 2.681 -3.239 -8.458 1.00 0.00 C ATOM 514 O SER A 35 1.470 -3.216 -8.677 1.00 0.00 O ATOM 515 CB SER A 35 3.547 -5.161 -7.110 1.00 0.00 C ATOM 516 OG SER A 35 3.882 -6.537 -7.175 1.00 0.00 O ATOM 0 H SER A 35 5.552 -4.459 -8.375 1.00 0.00 H new ATOM 0 HA SER A 35 2.938 -5.240 -9.170 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.294 -4.629 -6.521 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.592 -5.040 -6.598 1.00 0.00 H new ATOM 0 HG SER A 35 3.931 -6.905 -6.268 1.00 0.00 H new ATOM 522 N PHE A 36 3.385 -2.151 -8.165 1.00 0.00 N ATOM 523 CA PHE A 36 2.759 -0.836 -8.084 1.00 0.00 C ATOM 524 C PHE A 36 2.880 -0.092 -9.411 1.00 0.00 C ATOM 525 O PHE A 36 1.983 0.658 -9.797 1.00 0.00 O ATOM 526 CB PHE A 36 3.400 -0.012 -6.964 1.00 0.00 C ATOM 527 CG PHE A 36 2.951 -0.416 -5.589 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.635 -0.236 -5.195 1.00 0.00 C ATOM 529 CD2 PHE A 36 3.845 -0.978 -4.692 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.219 -0.608 -3.930 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.434 -1.352 -3.426 1.00 0.00 C ATOM 532 CZ PHE A 36 2.120 -1.165 -3.044 1.00 0.00 C ATOM 0 H PHE A 36 4.388 -2.153 -7.980 1.00 0.00 H new ATOM 0 HA PHE A 36 1.701 -0.978 -7.863 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.484 -0.110 -7.027 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.166 1.041 -7.119 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.926 0.200 -5.884 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.874 -1.126 -4.985 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.190 -0.463 -3.635 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.140 -1.790 -2.736 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.798 -1.454 -2.054 1.00 0.00 H new ATOM 542 N SER A 37 3.993 -0.306 -10.103 1.00 0.00 N ATOM 543 CA SER A 37 4.234 0.346 -11.385 1.00 0.00 C ATOM 544 C SER A 37 3.062 0.125 -12.336 1.00 0.00 C ATOM 545 O SER A 37 2.758 0.975 -13.172 1.00 0.00 O ATOM 546 CB SER A 37 5.524 -0.181 -12.016 1.00 0.00 C ATOM 547 OG SER A 37 6.639 0.603 -11.629 1.00 0.00 O ATOM 0 H SER A 37 4.743 -0.926 -9.798 1.00 0.00 H new ATOM 0 HA SER A 37 4.337 1.416 -11.206 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.682 -1.217 -11.716 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.430 -0.174 -13.102 1.00 0.00 H new ATOM 0 HG SER A 37 7.101 0.169 -10.882 1.00 0.00 H new ATOM 553 N GLU A 38 2.407 -1.024 -12.200 1.00 0.00 N ATOM 554 CA GLU A 38 1.268 -1.358 -13.048 1.00 0.00 C ATOM 555 C GLU A 38 0.197 -0.274 -12.972 1.00 0.00 C ATOM 556 O GLU A 38 -0.584 -0.092 -13.906 1.00 0.00 O ATOM 557 CB GLU A 38 0.675 -2.707 -12.635 1.00 0.00 C ATOM 558 CG GLU A 38 0.027 -2.691 -11.260 1.00 0.00 C ATOM 559 CD GLU A 38 -0.239 -4.085 -10.725 1.00 0.00 C ATOM 560 OE1 GLU A 38 0.532 -5.007 -11.063 1.00 0.00 O ATOM 561 OE2 GLU A 38 -1.217 -4.253 -9.967 1.00 0.00 O ATOM 0 H GLU A 38 2.645 -1.738 -11.512 1.00 0.00 H new ATOM 0 HA GLU A 38 1.621 -1.424 -14.077 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.067 -3.010 -13.374 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.463 -3.460 -12.647 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.673 -2.156 -10.564 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.912 -2.140 -11.311 1.00 0.00 H new ATOM 568 N PHE A 39 0.167 0.442 -11.854 1.00 0.00 N ATOM 569 CA PHE A 39 -0.809 1.508 -11.654 1.00 0.00 C ATOM 570 C PHE A 39 -0.325 2.813 -12.280 1.00 0.00 C ATOM 571 O PHE A 39 -1.045 3.453 -13.045 1.00 0.00 O ATOM 572 CB PHE A 39 -1.075 1.712 -10.162 1.00 0.00 C ATOM 573 CG PHE A 39 -1.887 0.612 -9.542 1.00 0.00 C ATOM 574 CD1 PHE A 39 -1.303 -0.605 -9.226 1.00 0.00 C ATOM 575 CD2 PHE A 39 -3.235 0.792 -9.275 1.00 0.00 C ATOM 576 CE1 PHE A 39 -2.048 -1.620 -8.655 1.00 0.00 C ATOM 577 CE2 PHE A 39 -3.984 -0.219 -8.703 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.390 -1.426 -8.394 1.00 0.00 C ATOM 0 H PHE A 39 0.807 0.304 -11.072 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.737 1.213 -12.144 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.122 1.789 -9.638 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.594 2.660 -10.020 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.254 -0.762 -9.428 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.706 1.733 -9.517 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.581 -2.563 -8.413 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.033 -0.065 -8.498 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.974 -2.218 -7.949 1.00 0.00 H new ATOM 588 N GLY A 40 0.903 3.202 -11.948 1.00 0.00 N ATOM 589 CA GLY A 40 1.463 4.429 -12.483 1.00 0.00 C ATOM 590 C GLY A 40 2.971 4.487 -12.343 1.00 0.00 C ATOM 591 O GLY A 40 3.560 3.737 -11.564 1.00 0.00 O ATOM 0 H GLY A 40 1.520 2.689 -11.318 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.195 4.518 -13.536 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.020 5.282 -11.968 1.00 0.00 H new ATOM 595 N LYS A 41 3.600 5.378 -13.102 1.00 0.00 N ATOM 596 CA LYS A 41 5.050 5.531 -13.060 1.00 0.00 C ATOM 597 C LYS A 41 5.525 5.830 -11.642 1.00 0.00 C ATOM 598 O LYS A 41 5.443 6.968 -11.175 1.00 0.00 O ATOM 599 CB LYS A 41 5.491 6.653 -14.004 1.00 0.00 C ATOM 600 CG LYS A 41 6.571 6.231 -14.986 1.00 0.00 C ATOM 601 CD LYS A 41 7.960 6.526 -14.447 1.00 0.00 C ATOM 602 CE LYS A 41 8.483 7.862 -14.952 1.00 0.00 C ATOM 603 NZ LYS A 41 9.080 7.746 -16.311 1.00 0.00 N ATOM 0 H LYS A 41 3.129 6.005 -13.754 1.00 0.00 H new ATOM 0 HA LYS A 41 5.500 4.592 -13.384 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.625 7.010 -14.561 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.857 7.492 -13.412 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.479 5.165 -15.193 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.428 6.753 -15.932 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.934 6.533 -13.357 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.643 5.731 -14.745 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.669 8.586 -14.974 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.231 8.245 -14.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.425 8.677 -16.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.874 7.074 -16.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.359 7.405 -16.979 1.00 0.00 H new ATOM 617 N LEU A 42 6.022 4.804 -10.961 1.00 0.00 N ATOM 618 CA LEU A 42 6.512 4.957 -9.596 1.00 0.00 C ATOM 619 C LEU A 42 7.603 6.020 -9.524 1.00 0.00 C ATOM 620 O LEU A 42 8.007 6.577 -10.545 1.00 0.00 O ATOM 621 CB LEU A 42 7.049 3.623 -9.074 1.00 0.00 C ATOM 622 CG LEU A 42 6.015 2.515 -8.870 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.668 1.279 -8.272 1.00 0.00 C ATOM 624 CD2 LEU A 42 4.880 3.004 -7.983 1.00 0.00 C ATOM 0 H LEU A 42 6.096 3.857 -11.332 1.00 0.00 H new ATOM 0 HA LEU A 42 5.678 5.276 -8.971 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.806 3.262 -9.770 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.551 3.803 -8.123 1.00 0.00 H new ATOM 0 HG LEU A 42 5.601 2.246 -9.842 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.917 0.501 -8.134 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.446 0.917 -8.944 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.110 1.531 -7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.153 2.203 -7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.278 3.300 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.394 3.860 -8.452 1.00 0.00 H new ATOM 636 N GLU A 43 8.075 6.296 -8.313 1.00 0.00 N ATOM 637 CA GLU A 43 9.121 7.292 -8.110 1.00 0.00 C ATOM 638 C GLU A 43 10.366 6.658 -7.498 1.00 0.00 C ATOM 639 O GLU A 43 11.485 6.900 -7.951 1.00 0.00 O ATOM 640 CB GLU A 43 8.613 8.419 -7.208 1.00 0.00 C ATOM 641 CG GLU A 43 8.828 9.807 -7.788 1.00 0.00 C ATOM 642 CD GLU A 43 10.242 10.313 -7.583 1.00 0.00 C ATOM 643 OE1 GLU A 43 11.179 9.689 -8.123 1.00 0.00 O ATOM 644 OE2 GLU A 43 10.412 11.333 -6.882 1.00 0.00 O ATOM 0 H GLU A 43 7.750 5.845 -7.458 1.00 0.00 H new ATOM 0 HA GLU A 43 9.387 7.706 -9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.549 8.273 -7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.116 8.356 -6.243 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.604 9.790 -8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.127 10.502 -7.326 1.00 0.00 H new ATOM 651 N ARG A 44 10.162 5.845 -6.467 1.00 0.00 N ATOM 652 CA ARG A 44 11.268 5.176 -5.791 1.00 0.00 C ATOM 653 C ARG A 44 10.757 4.291 -4.657 1.00 0.00 C ATOM 654 O ARG A 44 9.858 4.679 -3.911 1.00 0.00 O ATOM 655 CB ARG A 44 12.257 6.206 -5.243 1.00 0.00 C ATOM 656 CG ARG A 44 13.713 5.821 -5.443 1.00 0.00 C ATOM 657 CD ARG A 44 14.558 6.182 -4.232 1.00 0.00 C ATOM 658 NE ARG A 44 15.962 6.375 -4.581 1.00 0.00 N ATOM 659 CZ ARG A 44 16.427 7.465 -5.181 1.00 0.00 C ATOM 660 NH1 ARG A 44 15.604 8.455 -5.496 1.00 0.00 N ATOM 661 NH2 ARG A 44 17.719 7.567 -5.466 1.00 0.00 N ATOM 0 H ARG A 44 9.242 5.633 -6.081 1.00 0.00 H new ATOM 0 HA ARG A 44 11.778 4.545 -6.519 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.074 7.165 -5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.070 6.345 -4.178 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.784 4.750 -5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.106 6.326 -6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.169 7.093 -3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.476 5.393 -3.485 1.00 0.00 H new ATOM 0 HE ARG A 44 16.622 5.632 -4.352 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.610 8.381 -5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.964 9.291 -5.957 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.356 6.808 -5.224 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.075 8.404 -5.927 1.00 0.00 H new ATOM 675 N VAL A 45 11.338 3.102 -4.534 1.00 0.00 N ATOM 676 CA VAL A 45 10.942 2.163 -3.491 1.00 0.00 C ATOM 677 C VAL A 45 12.138 1.753 -2.638 1.00 0.00 C ATOM 678 O VAL A 45 13.266 1.679 -3.124 1.00 0.00 O ATOM 679 CB VAL A 45 10.296 0.899 -4.090 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.782 -0.013 -2.986 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.174 1.277 -5.046 1.00 0.00 C ATOM 0 H VAL A 45 12.084 2.766 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 45 10.211 2.675 -2.865 1.00 0.00 H new ATOM 0 HB VAL A 45 11.055 0.356 -4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.329 -0.900 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.611 -0.310 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.037 0.517 -2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.729 0.372 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.413 1.843 -4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.576 1.887 -5.855 1.00 0.00 H new ATOM 691 N LYS A 46 11.882 1.488 -1.361 1.00 0.00 N ATOM 692 CA LYS A 46 12.937 1.084 -0.438 1.00 0.00 C ATOM 693 C LYS A 46 12.425 0.041 0.549 1.00 0.00 C ATOM 694 O LYS A 46 11.320 0.160 1.078 1.00 0.00 O ATOM 695 CB LYS A 46 13.472 2.300 0.322 1.00 0.00 C ATOM 696 CG LYS A 46 14.948 2.203 0.663 1.00 0.00 C ATOM 697 CD LYS A 46 15.812 2.220 -0.587 1.00 0.00 C ATOM 698 CE LYS A 46 17.280 2.430 -0.248 1.00 0.00 C ATOM 699 NZ LYS A 46 17.752 3.786 -0.639 1.00 0.00 N ATOM 0 H LYS A 46 10.954 1.546 -0.942 1.00 0.00 H new ATOM 0 HA LYS A 46 13.746 0.643 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.304 3.195 -0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.902 2.422 1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.228 3.034 1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.134 1.286 1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.693 1.280 -1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.474 3.014 -1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.429 2.289 0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.881 1.676 -0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.757 3.889 -0.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.634 3.912 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.196 4.506 -0.135 1.00 0.00 H new ATOM 713 N LYS A 47 13.236 -0.983 0.793 1.00 0.00 N ATOM 714 CA LYS A 47 12.867 -2.048 1.719 1.00 0.00 C ATOM 715 C LYS A 47 13.316 -1.715 3.138 1.00 0.00 C ATOM 716 O LYS A 47 14.488 -1.875 3.484 1.00 0.00 O ATOM 717 CB LYS A 47 13.486 -3.376 1.275 1.00 0.00 C ATOM 718 CG LYS A 47 12.614 -4.583 1.574 1.00 0.00 C ATOM 719 CD LYS A 47 12.680 -5.609 0.455 1.00 0.00 C ATOM 720 CE LYS A 47 11.877 -6.854 0.792 1.00 0.00 C ATOM 721 NZ LYS A 47 12.723 -8.080 0.785 1.00 0.00 N ATOM 0 H LYS A 47 14.153 -1.098 0.362 1.00 0.00 H new ATOM 0 HA LYS A 47 11.781 -2.140 1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.681 -3.336 0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.449 -3.502 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.935 -5.042 2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.582 -4.262 1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.300 -5.168 -0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.719 -5.883 0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.418 -6.735 1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.066 -6.969 0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.470 -8.681 1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.565 -8.606 -0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.725 -7.811 0.853 1.00 0.00 H new ATOM 735 N LEU A 48 12.378 -1.252 3.958 1.00 0.00 N ATOM 736 CA LEU A 48 12.677 -0.897 5.340 1.00 0.00 C ATOM 737 C LEU A 48 11.760 -1.643 6.304 1.00 0.00 C ATOM 738 O LEU A 48 10.560 -1.374 6.370 1.00 0.00 O ATOM 739 CB LEU A 48 12.532 0.612 5.543 1.00 0.00 C ATOM 740 CG LEU A 48 13.710 1.468 5.080 1.00 0.00 C ATOM 741 CD1 LEU A 48 14.981 1.073 5.817 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.903 1.341 3.575 1.00 0.00 C ATOM 0 H LEU A 48 11.404 -1.114 3.689 1.00 0.00 H new ATOM 0 HA LEU A 48 13.707 -1.187 5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.638 0.945 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.366 0.801 6.604 1.00 0.00 H new ATOM 0 HG LEU A 48 13.489 2.510 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.809 1.694 5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.840 1.217 6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.206 0.025 5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.746 1.957 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.101 0.300 3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.001 1.675 3.063 1.00 0.00 H new ATOM 754 N LYS A 49 12.333 -2.579 7.054 1.00 0.00 N ATOM 755 CA LYS A 49 11.568 -3.362 8.018 1.00 0.00 C ATOM 756 C LYS A 49 10.504 -4.200 7.316 1.00 0.00 C ATOM 757 O LYS A 49 10.561 -4.405 6.104 1.00 0.00 O ATOM 758 CB LYS A 49 10.911 -2.439 9.047 1.00 0.00 C ATOM 759 CG LYS A 49 11.032 -2.941 10.477 1.00 0.00 C ATOM 760 CD LYS A 49 11.900 -2.021 11.318 1.00 0.00 C ATOM 761 CE LYS A 49 13.347 -2.040 10.851 1.00 0.00 C ATOM 762 NZ LYS A 49 14.283 -2.375 11.961 1.00 0.00 N ATOM 0 H LYS A 49 13.325 -2.814 7.013 1.00 0.00 H new ATOM 0 HA LYS A 49 12.255 -4.036 8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.364 -1.450 8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.856 -2.324 8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.040 -3.015 10.923 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.457 -3.945 10.477 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.512 -1.004 11.264 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.850 -2.326 12.363 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.460 -2.768 10.048 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.608 -1.066 10.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.259 -2.378 11.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.194 -1.666 12.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.050 -3.315 12.339 1.00 0.00 H new ATOM 776 N ASP A 50 9.533 -4.679 8.086 1.00 0.00 N ATOM 777 CA ASP A 50 8.454 -5.491 7.538 1.00 0.00 C ATOM 778 C ASP A 50 7.649 -4.704 6.508 1.00 0.00 C ATOM 779 O ASP A 50 6.891 -5.278 5.727 1.00 0.00 O ATOM 780 CB ASP A 50 7.533 -5.978 8.658 1.00 0.00 C ATOM 781 CG ASP A 50 8.194 -7.024 9.536 1.00 0.00 C ATOM 782 OD1 ASP A 50 9.088 -7.738 9.037 1.00 0.00 O ATOM 783 OD2 ASP A 50 7.816 -7.126 10.722 1.00 0.00 O ATOM 0 H ASP A 50 9.471 -4.519 9.091 1.00 0.00 H new ATOM 0 HA ASP A 50 8.899 -6.354 7.043 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.232 -5.129 9.272 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.625 -6.394 8.223 1.00 0.00 H new ATOM 788 N TYR A 51 7.817 -3.386 6.516 1.00 0.00 N ATOM 789 CA TYR A 51 7.105 -2.519 5.585 1.00 0.00 C ATOM 790 C TYR A 51 8.040 -2.001 4.497 1.00 0.00 C ATOM 791 O TYR A 51 9.204 -2.393 4.426 1.00 0.00 O ATOM 792 CB TYR A 51 6.474 -1.343 6.333 1.00 0.00 C ATOM 793 CG TYR A 51 7.440 -0.611 7.237 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.288 0.367 6.732 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.505 -0.898 8.595 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.173 1.038 7.554 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.385 -0.231 9.424 1.00 0.00 C ATOM 798 CZ TYR A 51 9.217 0.736 8.899 1.00 0.00 C ATOM 799 OH TYR A 51 10.097 1.401 9.722 1.00 0.00 O ATOM 0 H TYR A 51 8.440 -2.895 7.157 1.00 0.00 H new ATOM 0 HA TYR A 51 6.318 -3.106 5.112 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.065 -0.640 5.608 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.638 -1.709 6.929 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.255 0.607 5.679 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.856 -1.656 9.009 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.827 1.795 7.146 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.422 -0.465 10.478 1.00 0.00 H new ATOM 0 HH TYR A 51 10.000 1.070 10.639 1.00 0.00 H new ATOM 809 N ALA A 52 7.521 -1.117 3.652 1.00 0.00 N ATOM 810 CA ALA A 52 8.310 -0.542 2.568 1.00 0.00 C ATOM 811 C ALA A 52 7.925 0.913 2.322 1.00 0.00 C ATOM 812 O ALA A 52 6.834 1.348 2.688 1.00 0.00 O ATOM 813 CB ALA A 52 8.134 -1.359 1.297 1.00 0.00 C ATOM 0 H ALA A 52 6.558 -0.783 3.696 1.00 0.00 H new ATOM 0 HA ALA A 52 9.360 -0.568 2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.728 -0.919 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.465 -2.382 1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.083 -1.362 1.009 1.00 0.00 H new ATOM 819 N PHE A 53 8.830 1.661 1.700 1.00 0.00 N ATOM 820 CA PHE A 53 8.586 3.069 1.406 1.00 0.00 C ATOM 821 C PHE A 53 8.611 3.323 -0.098 1.00 0.00 C ATOM 822 O PHE A 53 9.670 3.306 -0.725 1.00 0.00 O ATOM 823 CB PHE A 53 9.631 3.944 2.099 1.00 0.00 C ATOM 824 CG PHE A 53 9.349 4.176 3.557 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.115 4.652 3.970 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.318 3.918 4.513 1.00 0.00 C ATOM 827 CE1 PHE A 53 7.852 4.865 5.309 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.061 4.129 5.854 1.00 0.00 C ATOM 829 CZ PHE A 53 8.826 4.604 6.253 1.00 0.00 C ATOM 0 H PHE A 53 9.739 1.316 1.390 1.00 0.00 H new ATOM 0 HA PHE A 53 7.597 3.327 1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.610 3.476 1.997 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.683 4.906 1.590 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.350 4.859 3.236 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.285 3.548 4.207 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.886 5.235 5.618 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.824 3.923 6.590 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.623 4.771 7.301 1.00 0.00 H new ATOM 839 N VAL A 54 7.434 3.557 -0.672 1.00 0.00 N ATOM 840 CA VAL A 54 7.319 3.815 -2.103 1.00 0.00 C ATOM 841 C VAL A 54 6.843 5.238 -2.367 1.00 0.00 C ATOM 842 O VAL A 54 6.043 5.789 -1.610 1.00 0.00 O ATOM 843 CB VAL A 54 6.347 2.827 -2.774 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.360 3.008 -4.284 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.699 1.396 -2.398 1.00 0.00 C ATOM 0 H VAL A 54 6.547 3.573 -0.168 1.00 0.00 H new ATOM 0 HA VAL A 54 8.313 3.682 -2.531 1.00 0.00 H new ATOM 0 HB VAL A 54 5.339 3.036 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.667 2.301 -4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.056 4.025 -4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.366 2.827 -4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.002 0.711 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.714 1.173 -2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.634 1.277 -1.316 1.00 0.00 H new ATOM 855 N HIS A 55 7.339 5.831 -3.449 1.00 0.00 N ATOM 856 CA HIS A 55 6.963 7.192 -3.815 1.00 0.00 C ATOM 857 C HIS A 55 6.270 7.217 -5.174 1.00 0.00 C ATOM 858 O HIS A 55 6.538 6.377 -6.034 1.00 0.00 O ATOM 859 CB HIS A 55 8.197 8.095 -3.842 1.00 0.00 C ATOM 860 CG HIS A 55 8.598 8.602 -2.491 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.755 9.942 -2.207 1.00 0.00 N ATOM 862 CD2 HIS A 55 8.872 7.940 -1.343 1.00 0.00 C ATOM 863 CE1 HIS A 55 9.111 10.082 -0.942 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.188 8.882 -0.395 1.00 0.00 N ATOM 0 H HIS A 55 8.002 5.390 -4.087 1.00 0.00 H new ATOM 0 HA HIS A 55 6.266 7.564 -3.064 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.031 7.544 -4.276 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.001 8.944 -4.496 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.847 6.870 -1.199 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.306 11.018 -0.441 1.00 0.00 H new ATOM 0 HE2 HIS A 55 9.441 8.687 0.574 1.00 0.00 H new ATOM 872 N PHE A 56 5.379 8.184 -5.361 1.00 0.00 N ATOM 873 CA PHE A 56 4.646 8.317 -6.615 1.00 0.00 C ATOM 874 C PHE A 56 4.822 9.715 -7.202 1.00 0.00 C ATOM 875 O PHE A 56 5.074 10.677 -6.477 1.00 0.00 O ATOM 876 CB PHE A 56 3.160 8.028 -6.394 1.00 0.00 C ATOM 877 CG PHE A 56 2.847 6.565 -6.267 1.00 0.00 C ATOM 878 CD1 PHE A 56 2.990 5.915 -5.051 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.409 5.838 -7.362 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.702 4.570 -4.930 1.00 0.00 C ATOM 881 CE2 PHE A 56 2.119 4.491 -7.247 1.00 0.00 C ATOM 882 CZ PHE A 56 2.268 3.857 -6.029 1.00 0.00 C ATOM 0 H PHE A 56 5.147 8.888 -4.660 1.00 0.00 H new ATOM 0 HA PHE A 56 5.049 7.592 -7.322 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.828 8.542 -5.492 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.590 8.443 -7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.331 6.467 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.293 6.329 -8.317 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.816 4.076 -3.976 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.777 3.936 -8.108 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.045 2.804 -5.937 1.00 0.00 H new ATOM 892 N GLU A 57 4.689 9.818 -8.521 1.00 0.00 N ATOM 893 CA GLU A 57 4.835 11.096 -9.206 1.00 0.00 C ATOM 894 C GLU A 57 3.883 12.137 -8.623 1.00 0.00 C ATOM 895 O GLU A 57 4.144 13.339 -8.690 1.00 0.00 O ATOM 896 CB GLU A 57 4.570 10.930 -10.704 1.00 0.00 C ATOM 897 CG GLU A 57 5.828 10.996 -11.554 1.00 0.00 C ATOM 898 CD GLU A 57 5.857 12.211 -12.460 1.00 0.00 C ATOM 899 OE1 GLU A 57 4.807 12.531 -13.056 1.00 0.00 O ATOM 900 OE2 GLU A 57 6.930 12.841 -12.575 1.00 0.00 O ATOM 0 H GLU A 57 4.480 9.031 -9.136 1.00 0.00 H new ATOM 0 HA GLU A 57 5.858 11.442 -9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.076 9.973 -10.874 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.879 11.707 -11.031 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.702 11.012 -10.902 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.900 10.093 -12.161 1.00 0.00 H new ATOM 907 N ASP A 58 2.780 11.668 -8.051 1.00 0.00 N ATOM 908 CA ASP A 58 1.789 12.557 -7.456 1.00 0.00 C ATOM 909 C ASP A 58 0.960 11.823 -6.407 1.00 0.00 C ATOM 910 O ASP A 58 1.280 10.695 -6.027 1.00 0.00 O ATOM 911 CB ASP A 58 0.874 13.132 -8.537 1.00 0.00 C ATOM 912 CG ASP A 58 0.838 14.648 -8.519 1.00 0.00 C ATOM 913 OD1 ASP A 58 0.962 15.231 -7.421 1.00 0.00 O ATOM 914 OD2 ASP A 58 0.685 15.250 -9.601 1.00 0.00 O ATOM 0 H ASP A 58 2.549 10.677 -7.987 1.00 0.00 H new ATOM 0 HA ASP A 58 2.318 13.375 -6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.213 12.791 -9.515 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.136 12.746 -8.397 1.00 0.00 H new ATOM 919 N ARG A 59 -0.105 12.467 -5.944 1.00 0.00 N ATOM 920 CA ARG A 59 -0.980 11.876 -4.939 1.00 0.00 C ATOM 921 C ARG A 59 -2.053 11.010 -5.592 1.00 0.00 C ATOM 922 O ARG A 59 -2.511 10.028 -5.011 1.00 0.00 O ATOM 923 CB ARG A 59 -1.635 12.970 -4.095 1.00 0.00 C ATOM 924 CG ARG A 59 -2.723 12.454 -3.167 1.00 0.00 C ATOM 925 CD ARG A 59 -3.287 13.566 -2.297 1.00 0.00 C ATOM 926 NE ARG A 59 -4.510 14.134 -2.859 1.00 0.00 N ATOM 927 CZ ARG A 59 -5.678 13.500 -2.868 1.00 0.00 C ATOM 928 NH1 ARG A 59 -5.781 12.285 -2.348 1.00 0.00 N ATOM 929 NH2 ARG A 59 -6.745 14.083 -3.397 1.00 0.00 N ATOM 0 H ARG A 59 -0.384 13.400 -6.249 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.372 11.243 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.868 13.467 -3.501 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.062 13.722 -4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.525 12.010 -3.757 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.318 11.665 -2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.493 13.177 -1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.541 14.352 -2.185 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.465 15.068 -3.267 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.962 11.834 -1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.679 11.801 -2.356 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.669 15.018 -3.797 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.641 13.596 -3.404 1.00 0.00 H new ATOM 943 N GLY A 60 -2.449 11.383 -6.805 1.00 0.00 N ATOM 944 CA GLY A 60 -3.465 10.632 -7.517 1.00 0.00 C ATOM 945 C GLY A 60 -3.004 9.236 -7.885 1.00 0.00 C ATOM 946 O GLY A 60 -3.806 8.305 -7.947 1.00 0.00 O ATOM 0 H GLY A 60 -2.084 12.192 -7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.361 10.564 -6.900 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.742 11.170 -8.423 1.00 0.00 H new ATOM 950 N ALA A 61 -1.706 9.090 -8.131 1.00 0.00 N ATOM 951 CA ALA A 61 -1.138 7.797 -8.493 1.00 0.00 C ATOM 952 C ALA A 61 -0.965 6.909 -7.266 1.00 0.00 C ATOM 953 O ALA A 61 -0.954 5.683 -7.372 1.00 0.00 O ATOM 954 CB ALA A 61 0.195 7.986 -9.201 1.00 0.00 C ATOM 0 H ALA A 61 -1.028 9.851 -8.086 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.832 7.302 -9.172 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.608 7.012 -9.466 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.046 8.575 -10.106 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.888 8.506 -8.540 1.00 0.00 H new ATOM 960 N ALA A 62 -0.831 7.536 -6.102 1.00 0.00 N ATOM 961 CA ALA A 62 -0.661 6.802 -4.854 1.00 0.00 C ATOM 962 C ALA A 62 -2.009 6.388 -4.272 1.00 0.00 C ATOM 963 O ALA A 62 -2.213 5.226 -3.920 1.00 0.00 O ATOM 964 CB ALA A 62 0.115 7.641 -3.850 1.00 0.00 C ATOM 0 H ALA A 62 -0.837 8.551 -5.997 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.094 5.896 -5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.235 7.081 -2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.097 7.881 -4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.430 8.564 -3.649 1.00 0.00 H new ATOM 970 N VAL A 63 -2.924 7.346 -4.173 1.00 0.00 N ATOM 971 CA VAL A 63 -4.253 7.080 -3.633 1.00 0.00 C ATOM 972 C VAL A 63 -5.013 6.090 -4.507 1.00 0.00 C ATOM 973 O VAL A 63 -5.510 5.072 -4.024 1.00 0.00 O ATOM 974 CB VAL A 63 -5.077 8.375 -3.508 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.468 8.074 -2.973 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.360 9.380 -2.618 1.00 0.00 C ATOM 0 H VAL A 63 -2.770 8.313 -4.459 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.112 6.651 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.183 8.814 -4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.035 9.001 -2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.980 7.394 -3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.387 7.611 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.957 10.289 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.221 8.952 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.388 9.620 -3.049 1.00 0.00 H new ATOM 986 N LYS A 64 -5.099 6.393 -5.798 1.00 0.00 N ATOM 987 CA LYS A 64 -5.797 5.528 -6.743 1.00 0.00 C ATOM 988 C LYS A 64 -5.275 4.097 -6.659 1.00 0.00 C ATOM 989 O LYS A 64 -6.020 3.142 -6.869 1.00 0.00 O ATOM 990 CB LYS A 64 -5.633 6.059 -8.168 1.00 0.00 C ATOM 991 CG LYS A 64 -6.306 5.195 -9.220 1.00 0.00 C ATOM 992 CD LYS A 64 -5.308 4.694 -10.251 1.00 0.00 C ATOM 993 CE LYS A 64 -5.934 3.661 -11.177 1.00 0.00 C ATOM 994 NZ LYS A 64 -6.311 4.251 -12.491 1.00 0.00 N ATOM 0 H LYS A 64 -4.694 7.231 -6.214 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.855 5.526 -6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.044 7.067 -8.221 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.570 6.136 -8.398 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.791 4.346 -8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.088 5.769 -9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.938 5.534 -10.839 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.448 4.256 -9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.232 2.842 -11.335 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.819 3.236 -10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.734 3.516 -13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.000 5.016 -12.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.463 4.634 -12.956 1.00 0.00 H new ATOM 1008 N ALA A 65 -3.989 3.959 -6.350 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.369 2.645 -6.236 1.00 0.00 C ATOM 1010 C ALA A 65 -3.720 1.985 -4.907 1.00 0.00 C ATOM 1011 O ALA A 65 -4.285 0.893 -4.875 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.859 2.758 -6.388 1.00 0.00 C ATOM 0 H ALA A 65 -3.358 4.741 -6.174 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.758 2.017 -7.038 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.409 1.769 -6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.622 3.179 -7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.462 3.407 -5.607 1.00 0.00 H new ATOM 1018 N MET A 66 -3.382 2.657 -3.811 1.00 0.00 N ATOM 1019 CA MET A 66 -3.662 2.135 -2.479 1.00 0.00 C ATOM 1020 C MET A 66 -5.143 1.800 -2.327 1.00 0.00 C ATOM 1021 O MET A 66 -5.509 0.886 -1.588 1.00 0.00 O ATOM 1022 CB MET A 66 -3.246 3.151 -1.412 1.00 0.00 C ATOM 1023 CG MET A 66 -3.699 2.780 -0.009 1.00 0.00 C ATOM 1024 SD MET A 66 -5.153 3.707 0.518 1.00 0.00 S ATOM 1025 CE MET A 66 -4.471 5.358 0.649 1.00 0.00 C ATOM 0 H MET A 66 -2.914 3.563 -3.819 1.00 0.00 H new ATOM 0 HA MET A 66 -3.084 1.220 -2.345 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.161 3.250 -1.420 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.657 4.127 -1.671 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.920 1.713 0.027 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.884 2.961 0.692 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.149 5.987 1.227 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.503 5.313 1.148 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.346 5.780 -0.348 1.00 0.00 H new ATOM 1035 N ASP A 67 -5.989 2.545 -3.030 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.429 2.326 -2.973 1.00 0.00 C ATOM 1037 C ASP A 67 -7.770 0.871 -3.280 1.00 0.00 C ATOM 1038 O ASP A 67 -8.592 0.260 -2.599 1.00 0.00 O ATOM 1039 CB ASP A 67 -8.146 3.248 -3.961 1.00 0.00 C ATOM 1040 CG ASP A 67 -9.028 4.267 -3.265 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -9.637 3.916 -2.232 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -9.112 5.413 -3.753 1.00 0.00 O ATOM 0 H ASP A 67 -5.702 3.306 -3.646 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.766 2.555 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.407 3.767 -4.571 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.754 2.648 -4.638 1.00 0.00 H new ATOM 1047 N GLU A 68 -7.131 0.322 -4.310 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.369 -1.060 -4.707 1.00 0.00 C ATOM 1049 C GLU A 68 -6.379 -1.999 -4.025 1.00 0.00 C ATOM 1050 O GLU A 68 -6.763 -3.033 -3.478 1.00 0.00 O ATOM 1051 CB GLU A 68 -7.262 -1.204 -6.226 1.00 0.00 C ATOM 1052 CG GLU A 68 -8.033 -0.143 -6.993 1.00 0.00 C ATOM 1053 CD GLU A 68 -9.518 -0.159 -6.681 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -10.145 -1.228 -6.844 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.051 0.893 -6.274 1.00 0.00 O ATOM 0 H GLU A 68 -6.445 0.814 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.377 -1.333 -4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.212 -1.157 -6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.629 -2.189 -6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.626 0.840 -6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.889 -0.297 -8.062 1.00 0.00 H new ATOM 1062 N MET A 69 -5.102 -1.633 -4.064 1.00 0.00 N ATOM 1063 CA MET A 69 -4.055 -2.443 -3.450 1.00 0.00 C ATOM 1064 C MET A 69 -4.400 -2.766 -2.000 1.00 0.00 C ATOM 1065 O MET A 69 -4.010 -3.810 -1.478 1.00 0.00 O ATOM 1066 CB MET A 69 -2.712 -1.714 -3.517 1.00 0.00 C ATOM 1067 CG MET A 69 -2.161 -1.586 -4.927 1.00 0.00 C ATOM 1068 SD MET A 69 -1.713 -3.178 -5.646 1.00 0.00 S ATOM 1069 CE MET A 69 -0.346 -3.653 -4.591 1.00 0.00 C ATOM 0 H MET A 69 -4.767 -0.781 -4.514 1.00 0.00 H new ATOM 0 HA MET A 69 -3.980 -3.378 -4.005 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.826 -0.718 -3.088 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.988 -2.246 -2.899 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.904 -1.102 -5.561 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.284 -0.939 -4.913 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.582 -3.621 -5.162 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.279 -2.963 -3.750 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.508 -4.664 -4.218 1.00 0.00 H new ATOM 1079 N ASN A 70 -5.133 -1.864 -1.355 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.528 -2.054 0.037 1.00 0.00 C ATOM 1081 C ASN A 70 -6.243 -3.390 0.221 1.00 0.00 C ATOM 1082 O ASN A 70 -7.420 -3.527 -0.108 1.00 0.00 O ATOM 1083 CB ASN A 70 -6.436 -0.910 0.491 1.00 0.00 C ATOM 1084 CG ASN A 70 -7.213 -1.253 1.748 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -8.440 -1.152 1.780 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -6.499 -1.661 2.791 1.00 0.00 N ATOM 0 H ASN A 70 -5.465 -0.995 -1.773 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.626 -2.057 0.649 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.833 -0.020 0.671 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.134 -0.665 -0.309 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.966 -1.906 3.664 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.484 -1.730 2.719 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.520 -4.373 0.751 1.00 0.00 N ATOM 1094 CA GLY A 71 -6.102 -5.684 0.972 1.00 0.00 C ATOM 1095 C GLY A 71 -5.886 -6.619 -0.203 1.00 0.00 C ATOM 1096 O GLY A 71 -6.835 -7.214 -0.714 1.00 0.00 O ATOM 0 H GLY A 71 -4.543 -4.285 1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.667 -6.125 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.171 -5.577 1.156 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.636 -6.745 -0.634 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.298 -7.613 -1.756 1.00 0.00 C ATOM 1102 C LYS A 72 -3.408 -8.766 -1.303 1.00 0.00 C ATOM 1103 O LYS A 72 -3.055 -8.865 -0.129 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.593 -6.812 -2.853 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.530 -6.311 -3.938 1.00 0.00 C ATOM 1106 CD LYS A 72 -4.989 -7.442 -4.843 1.00 0.00 C ATOM 1107 CE LYS A 72 -4.053 -7.623 -6.028 1.00 0.00 C ATOM 1108 NZ LYS A 72 -4.704 -8.367 -7.141 1.00 0.00 N ATOM 0 H LYS A 72 -3.840 -6.257 -0.224 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.224 -8.027 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.086 -5.960 -2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.823 -7.435 -3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.397 -5.835 -3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.026 -5.549 -4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.038 -8.369 -4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.997 -7.235 -5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.727 -6.646 -6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.160 -8.159 -5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.033 -8.469 -7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.992 -9.309 -6.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.542 -7.843 -7.465 1.00 0.00 H new ATOM 1122 N GLU A 73 -3.048 -9.635 -2.244 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.199 -10.780 -1.941 1.00 0.00 C ATOM 1124 C GLU A 73 -0.958 -10.790 -2.830 1.00 0.00 C ATOM 1125 O GLU A 73 -1.051 -11.003 -4.039 1.00 0.00 O ATOM 1126 CB GLU A 73 -2.979 -12.084 -2.120 1.00 0.00 C ATOM 1127 CG GLU A 73 -2.112 -13.328 -2.035 1.00 0.00 C ATOM 1128 CD GLU A 73 -2.902 -14.605 -2.250 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -3.169 -14.946 -3.422 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -3.253 -15.262 -1.248 1.00 0.00 O ATOM 0 H GLU A 73 -3.332 -9.567 -3.221 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.879 -10.696 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.756 -12.140 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.482 -12.067 -3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.319 -13.266 -2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.629 -13.364 -1.058 1.00 0.00 H new ATOM 1137 N ILE A 74 0.200 -10.555 -2.223 1.00 0.00 N ATOM 1138 CA ILE A 74 1.457 -10.537 -2.958 1.00 0.00 C ATOM 1139 C ILE A 74 2.381 -11.659 -2.495 1.00 0.00 C ATOM 1140 O ILE A 74 2.716 -11.753 -1.315 1.00 0.00 O ATOM 1141 CB ILE A 74 2.185 -9.189 -2.797 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.281 -8.041 -3.248 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.485 -9.191 -3.587 1.00 0.00 C ATOM 1144 CD1 ILE A 74 1.843 -6.671 -2.936 1.00 0.00 C ATOM 0 H ILE A 74 0.293 -10.374 -1.223 1.00 0.00 H new ATOM 0 HA ILE A 74 1.209 -10.683 -4.009 1.00 0.00 H new ATOM 0 HB ILE A 74 2.425 -9.045 -1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.115 -8.121 -4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.309 -8.144 -2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.988 -8.232 -3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.131 -9.989 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.269 -9.354 -4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.149 -5.905 -3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.983 -6.572 -1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.802 -6.548 -3.440 1.00 0.00 H new ATOM 1156 N GLU A 75 2.791 -12.506 -3.435 1.00 0.00 N ATOM 1157 CA GLU A 75 3.677 -13.621 -3.122 1.00 0.00 C ATOM 1158 C GLU A 75 3.064 -14.522 -2.055 1.00 0.00 C ATOM 1159 O GLU A 75 3.760 -15.017 -1.170 1.00 0.00 O ATOM 1160 CB GLU A 75 5.037 -13.103 -2.649 1.00 0.00 C ATOM 1161 CG GLU A 75 6.207 -13.956 -3.109 1.00 0.00 C ATOM 1162 CD GLU A 75 6.016 -15.427 -2.794 1.00 0.00 C ATOM 1163 OE1 GLU A 75 5.342 -16.120 -3.585 1.00 0.00 O ATOM 1164 OE2 GLU A 75 6.539 -15.886 -1.757 1.00 0.00 O ATOM 0 H GLU A 75 2.524 -12.441 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 75 3.815 -14.207 -4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.175 -12.085 -3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.039 -13.055 -1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.341 -13.833 -4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.120 -13.602 -2.631 1.00 0.00 H new ATOM 1171 N GLY A 76 1.753 -14.729 -2.145 1.00 0.00 N ATOM 1172 CA GLY A 76 1.067 -15.568 -1.181 1.00 0.00 C ATOM 1173 C GLY A 76 1.210 -15.058 0.239 1.00 0.00 C ATOM 1174 O GLY A 76 1.116 -15.826 1.194 1.00 0.00 O ATOM 0 H GLY A 76 1.155 -14.330 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.009 -15.622 -1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.462 -16.582 -1.241 1.00 0.00 H new ATOM 1178 N GLU A 77 1.439 -13.754 0.377 1.00 0.00 N ATOM 1179 CA GLU A 77 1.597 -13.144 1.691 1.00 0.00 C ATOM 1180 C GLU A 77 0.635 -11.973 1.866 1.00 0.00 C ATOM 1181 O GLU A 77 0.572 -11.077 1.025 1.00 0.00 O ATOM 1182 CB GLU A 77 3.039 -12.666 1.886 1.00 0.00 C ATOM 1183 CG GLU A 77 3.962 -13.730 2.453 1.00 0.00 C ATOM 1184 CD GLU A 77 3.667 -14.043 3.908 1.00 0.00 C ATOM 1185 OE1 GLU A 77 3.290 -13.111 4.650 1.00 0.00 O ATOM 1186 OE2 GLU A 77 3.812 -15.218 4.304 1.00 0.00 O ATOM 0 H GLU A 77 1.519 -13.103 -0.404 1.00 0.00 H new ATOM 0 HA GLU A 77 1.366 -13.898 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.433 -12.328 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.040 -11.804 2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.866 -14.641 1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.996 -13.397 2.359 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.114 -11.989 2.965 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.075 -10.931 3.250 1.00 0.00 C ATOM 1195 C GLU A 78 -0.370 -9.587 3.420 1.00 0.00 C ATOM 1196 O GLU A 78 0.365 -9.378 4.386 1.00 0.00 O ATOM 1197 CB GLU A 78 -1.875 -11.263 4.511 1.00 0.00 C ATOM 1198 CG GLU A 78 -2.734 -12.508 4.377 1.00 0.00 C ATOM 1199 CD GLU A 78 -4.145 -12.302 4.893 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -4.820 -11.366 4.418 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -4.573 -13.079 5.773 1.00 0.00 O ATOM 0 H GLU A 78 -0.073 -12.723 3.672 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.759 -10.859 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.185 -11.396 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.514 -10.416 4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.774 -12.806 3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.267 -13.327 4.924 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.600 -8.682 2.476 1.00 0.00 N ATOM 1209 CA ILE A 79 0.012 -7.359 2.521 1.00 0.00 C ATOM 1210 C ILE A 79 -0.981 -6.311 3.009 1.00 0.00 C ATOM 1211 O ILE A 79 -2.152 -6.326 2.628 1.00 0.00 O ATOM 1212 CB ILE A 79 0.548 -6.939 1.140 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.576 -6.975 0.101 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.695 -7.845 0.719 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -0.877 -5.624 -0.510 1.00 0.00 C ATOM 0 H ILE A 79 -1.205 -8.840 1.670 1.00 0.00 H new ATOM 0 HA ILE A 79 0.845 -7.420 3.221 1.00 0.00 H new ATOM 0 HB ILE A 79 0.924 -5.918 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.304 -7.671 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.481 -7.363 0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.063 -7.535 -0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.501 -7.774 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.344 -8.875 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.683 -5.725 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.180 -4.930 0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.015 -5.243 -1.008 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.505 -5.401 3.855 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.353 -4.344 4.393 1.00 0.00 C ATOM 1229 C GLU A 80 -0.921 -2.978 3.866 1.00 0.00 C ATOM 1230 O GLU A 80 0.235 -2.785 3.487 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.304 -4.351 5.923 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.625 -4.724 6.573 1.00 0.00 C ATOM 1233 CD GLU A 80 -2.737 -6.209 6.857 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -2.667 -7.004 5.896 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -2.892 -6.578 8.041 1.00 0.00 O ATOM 0 H GLU A 80 0.461 -5.375 4.181 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.376 -4.533 4.068 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.537 -5.053 6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.003 -3.364 6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.736 -4.170 7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.445 -4.420 5.922 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.857 -2.036 3.845 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.574 -0.689 3.364 1.00 0.00 C ATOM 1244 C ILE A 81 -2.296 0.357 4.206 1.00 0.00 C ATOM 1245 O ILE A 81 -3.481 0.219 4.507 1.00 0.00 O ATOM 1246 CB ILE A 81 -1.986 -0.519 1.891 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.381 -1.635 1.037 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.552 0.845 1.374 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -1.819 -1.595 -0.410 1.00 0.00 C ATOM 0 H ILE A 81 -2.818 -2.180 4.155 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.497 -0.542 3.450 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.072 -0.584 1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.294 -1.566 1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.657 -2.599 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.850 0.951 0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -2.026 1.627 1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.469 0.936 1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.351 -2.415 -0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.903 -1.695 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.519 -0.646 -0.855 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.572 1.407 4.584 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.143 2.481 5.388 1.00 0.00 C ATOM 1263 C VAL A 82 -1.569 3.834 4.987 1.00 0.00 C ATOM 1264 O VAL A 82 -0.434 3.925 4.518 1.00 0.00 O ATOM 1265 CB VAL A 82 -1.889 2.252 6.890 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.518 0.944 7.346 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.396 2.267 7.185 1.00 0.00 C ATOM 0 H VAL A 82 -0.589 1.536 4.346 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.217 2.478 5.203 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.355 3.064 7.448 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.328 0.800 8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.593 0.977 7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.084 0.116 6.785 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.234 2.104 8.250 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.095 1.476 6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.022 3.232 6.898 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.360 4.885 5.174 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.930 6.237 4.832 1.00 0.00 C ATOM 1279 C LEU A 83 -0.810 6.702 5.757 1.00 0.00 C ATOM 1280 O LEU A 83 -0.950 6.679 6.979 1.00 0.00 O ATOM 1281 CB LEU A 83 -3.111 7.205 4.916 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.970 7.326 3.656 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -5.323 7.934 3.991 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -3.255 8.156 2.601 1.00 0.00 C ATOM 0 H LEU A 83 -3.302 4.827 5.560 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.551 6.224 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.752 6.894 5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.727 8.194 5.167 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.134 6.327 3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.921 8.013 3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.839 7.299 4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.180 8.926 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.881 8.231 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.060 9.154 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.311 7.678 2.341 1.00 0.00 H new ATOM 1296 N ALA A 84 0.301 7.126 5.164 1.00 0.00 N ATOM 1297 CA ALA A 84 1.444 7.601 5.934 1.00 0.00 C ATOM 1298 C ALA A 84 1.351 9.103 6.185 1.00 0.00 C ATOM 1299 O ALA A 84 1.290 9.897 5.246 1.00 0.00 O ATOM 1300 CB ALA A 84 2.742 7.263 5.215 1.00 0.00 C ATOM 0 H ALA A 84 0.434 7.150 4.153 1.00 0.00 H new ATOM 0 HA ALA A 84 1.435 7.097 6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.587 7.624 5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.820 6.183 5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.750 7.740 4.235 1.00 0.00 H new ATOM 1306 N LYS A 85 1.342 9.486 7.457 1.00 0.00 N ATOM 1307 CA LYS A 85 1.257 10.893 7.831 1.00 0.00 C ATOM 1308 C LYS A 85 2.632 11.552 7.782 1.00 0.00 C ATOM 1309 O LYS A 85 3.663 10.910 7.982 1.00 0.00 O ATOM 1310 CB LYS A 85 0.663 11.032 9.234 1.00 0.00 C ATOM 1311 CG LYS A 85 -0.753 10.494 9.351 1.00 0.00 C ATOM 1312 CD LYS A 85 -1.700 11.538 9.920 1.00 0.00 C ATOM 1313 CE LYS A 85 -3.017 10.914 10.358 1.00 0.00 C ATOM 1314 NZ LYS A 85 -4.149 11.875 10.248 1.00 0.00 N ATOM 0 H LYS A 85 1.393 8.842 8.246 1.00 0.00 H new ATOM 0 HA LYS A 85 0.607 11.396 7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.302 10.507 9.944 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.668 12.084 9.519 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.106 10.178 8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.756 9.611 9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.230 12.033 10.770 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.891 12.305 9.170 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.225 10.036 9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.931 10.570 11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.028 11.412 10.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.963 12.701 10.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.247 12.184 9.260 1.00 0.00 H new ATOM 1328 N PRO A 86 2.649 12.867 7.512 1.00 0.00 N ATOM 1329 CA PRO A 86 3.890 13.642 7.433 1.00 0.00 C ATOM 1330 C PRO A 86 4.555 13.813 8.795 1.00 0.00 C ATOM 1331 O PRO A 86 3.966 13.535 9.839 1.00 0.00 O ATOM 1332 CB PRO A 86 3.428 14.997 6.889 1.00 0.00 C ATOM 1333 CG PRO A 86 1.998 15.099 7.294 1.00 0.00 C ATOM 1334 CD PRO A 86 1.458 13.695 7.265 1.00 0.00 C ATOM 0 HA PRO A 86 4.639 13.150 6.812 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.017 15.813 7.307 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.537 15.047 5.806 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.904 15.533 8.290 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.444 15.744 6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 86 0.696 13.542 8.029 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.998 13.461 6.305 1.00 0.00 H new ATOM 1342 N PRO A 87 5.812 14.283 8.786 1.00 0.00 N ATOM 1343 CA PRO A 87 6.583 14.503 10.013 1.00 0.00 C ATOM 1344 C PRO A 87 6.047 15.672 10.833 1.00 0.00 C ATOM 1345 O PRO A 87 5.451 16.602 10.289 1.00 0.00 O ATOM 1346 CB PRO A 87 7.991 14.811 9.497 1.00 0.00 C ATOM 1347 CG PRO A 87 7.780 15.351 8.124 1.00 0.00 C ATOM 1348 CD PRO A 87 6.576 14.635 7.578 1.00 0.00 C ATOM 0 HA PRO A 87 6.539 13.644 10.682 1.00 0.00 H new ATOM 0 HB2 PRO A 87 8.497 15.536 10.135 1.00 0.00 H new ATOM 0 HB3 PRO A 87 8.611 13.915 9.479 1.00 0.00 H new ATOM 0 HG2 PRO A 87 7.615 16.428 8.149 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.655 15.177 7.498 1.00 0.00 H new ATOM 0 HD2 PRO A 87 5.998 15.273 6.909 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.859 13.749 7.009 1.00 0.00 H new ATOM 1356 N ASP A 88 6.264 15.619 12.142 1.00 0.00 N ATOM 1357 CA ASP A 88 5.804 16.675 13.036 1.00 0.00 C ATOM 1358 C ASP A 88 6.689 17.911 12.917 1.00 0.00 C ATOM 1359 O ASP A 88 7.827 17.832 12.452 1.00 0.00 O ATOM 1360 CB ASP A 88 5.793 16.179 14.483 1.00 0.00 C ATOM 1361 CG ASP A 88 4.969 14.918 14.656 1.00 0.00 C ATOM 1362 OD1 ASP A 88 3.726 15.024 14.709 1.00 0.00 O ATOM 1363 OD2 ASP A 88 5.567 13.825 14.737 1.00 0.00 O ATOM 0 H ASP A 88 6.755 14.856 12.608 1.00 0.00 H new ATOM 0 HA ASP A 88 4.789 16.947 12.745 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.816 15.988 14.807 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.395 16.961 15.129 1.00 0.00 H new ATOM 1368 N LYS A 89 6.160 19.055 13.340 1.00 0.00 N ATOM 1369 CA LYS A 89 6.901 20.309 13.280 1.00 0.00 C ATOM 1370 C LYS A 89 8.053 20.309 14.281 1.00 0.00 C ATOM 1371 O LYS A 89 7.942 19.745 15.371 1.00 0.00 O ATOM 1372 CB LYS A 89 5.968 21.489 13.561 1.00 0.00 C ATOM 1373 CG LYS A 89 5.608 22.289 12.321 1.00 0.00 C ATOM 1374 CD LYS A 89 4.132 22.164 11.986 1.00 0.00 C ATOM 1375 CE LYS A 89 3.899 22.170 10.482 1.00 0.00 C ATOM 1376 NZ LYS A 89 2.977 23.264 10.069 1.00 0.00 N ATOM 0 H LYS A 89 5.220 19.139 13.728 1.00 0.00 H new ATOM 0 HA LYS A 89 7.315 20.411 12.277 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.053 21.116 14.021 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.442 22.151 14.286 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.859 23.338 12.478 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.204 21.942 11.477 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.738 21.242 12.413 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.583 22.987 12.444 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.853 22.285 9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.484 21.210 10.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.843 23.235 9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.058 23.140 10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.384 24.182 10.339 1.00 0.00 H new ATOM 1390 N LYS A 90 9.156 20.945 13.905 1.00 0.00 N ATOM 1391 CA LYS A 90 10.328 21.021 14.770 1.00 0.00 C ATOM 1392 C LYS A 90 10.035 21.856 16.012 1.00 0.00 C ATOM 1393 O LYS A 90 9.432 22.926 15.924 1.00 0.00 O ATOM 1394 CB LYS A 90 11.512 21.620 14.007 1.00 0.00 C ATOM 1395 CG LYS A 90 11.327 23.086 13.652 1.00 0.00 C ATOM 1396 CD LYS A 90 12.024 23.435 12.347 1.00 0.00 C ATOM 1397 CE LYS A 90 12.671 24.809 12.412 1.00 0.00 C ATOM 1398 NZ LYS A 90 13.876 24.895 11.541 1.00 0.00 N ATOM 0 H LYS A 90 9.264 21.416 13.007 1.00 0.00 H new ATOM 0 HA LYS A 90 10.581 20.009 15.086 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.414 21.512 14.609 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.669 21.050 13.091 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.264 23.310 13.569 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.722 23.709 14.455 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.783 22.684 12.126 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.303 23.409 11.530 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.948 25.566 12.108 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.950 25.031 13.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.289 25.847 11.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 14.577 24.190 11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.605 24.708 10.554 1.00 0.00 H new ATOM 1412 N ARG A 91 10.465 21.361 17.168 1.00 0.00 N ATOM 1413 CA ARG A 91 10.248 22.061 18.428 1.00 0.00 C ATOM 1414 C ARG A 91 11.349 23.089 18.675 1.00 0.00 C ATOM 1415 O ARG A 91 12.454 22.969 18.146 1.00 0.00 O ATOM 1416 CB ARG A 91 10.195 21.066 19.587 1.00 0.00 C ATOM 1417 CG ARG A 91 8.975 21.232 20.479 1.00 0.00 C ATOM 1418 CD ARG A 91 9.323 21.028 21.945 1.00 0.00 C ATOM 1419 NE ARG A 91 8.152 21.155 22.809 1.00 0.00 N ATOM 1420 CZ ARG A 91 8.225 21.371 24.117 1.00 0.00 C ATOM 1421 NH1 ARG A 91 9.406 21.483 24.709 1.00 0.00 N ATOM 1422 NH2 ARG A 91 7.114 21.476 24.836 1.00 0.00 N ATOM 0 H ARG A 91 10.966 20.477 17.258 1.00 0.00 H new ATOM 0 HA ARG A 91 9.294 22.584 18.364 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.205 20.053 19.185 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.095 21.178 20.192 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.554 22.228 20.339 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.207 20.517 20.184 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.766 20.041 22.078 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.075 21.758 22.244 1.00 0.00 H new ATOM 0 HE ARG A 91 7.228 21.073 22.384 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.262 21.403 24.159 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.459 21.649 25.714 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.204 21.391 24.384 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.171 21.642 25.841 1.00 0.00 H new ATOM 1436 N SER A 92 11.038 24.099 19.481 1.00 0.00 N ATOM 1437 CA SER A 92 12.000 25.150 19.795 1.00 0.00 C ATOM 1438 C SER A 92 12.714 24.856 21.110 1.00 0.00 C ATOM 1439 O SER A 92 12.079 24.657 22.145 1.00 0.00 O ATOM 1440 CB SER A 92 11.296 26.506 19.875 1.00 0.00 C ATOM 1441 OG SER A 92 10.697 26.843 18.636 1.00 0.00 O ATOM 0 H SER A 92 10.128 24.212 19.928 1.00 0.00 H new ATOM 0 HA SER A 92 12.743 25.181 18.998 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.535 26.479 20.655 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.014 27.276 20.157 1.00 0.00 H new ATOM 0 HG SER A 92 10.252 27.713 18.714 1.00 0.00 H new ATOM 1447 N GLY A 93 14.043 24.832 21.062 1.00 0.00 N ATOM 1448 CA GLY A 93 14.824 24.562 22.256 1.00 0.00 C ATOM 1449 C GLY A 93 16.004 25.502 22.401 1.00 0.00 C ATOM 1450 O GLY A 93 16.213 26.402 21.587 1.00 0.00 O ATOM 0 H GLY A 93 14.592 24.995 20.218 1.00 0.00 H new ATOM 0 HA2 GLY A 93 14.183 24.650 23.133 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.184 23.534 22.226 1.00 0.00 H new ATOM 1454 N PRO A 94 16.800 25.299 23.461 1.00 0.00 N ATOM 1455 CA PRO A 94 17.978 26.126 23.737 1.00 0.00 C ATOM 1456 C PRO A 94 19.099 25.894 22.728 1.00 0.00 C ATOM 1457 O PRO A 94 19.737 24.841 22.726 1.00 0.00 O ATOM 1458 CB PRO A 94 18.413 25.672 25.132 1.00 0.00 C ATOM 1459 CG PRO A 94 17.894 24.281 25.256 1.00 0.00 C ATOM 1460 CD PRO A 94 16.611 24.246 24.474 1.00 0.00 C ATOM 0 HA PRO A 94 17.752 27.190 23.672 1.00 0.00 H new ATOM 0 HB2 PRO A 94 19.497 25.701 25.238 1.00 0.00 H new ATOM 0 HB3 PRO A 94 18.000 26.319 25.906 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.611 23.561 24.862 1.00 0.00 H new ATOM 0 HG3 PRO A 94 17.722 24.021 26.300 1.00 0.00 H new ATOM 0 HD2 PRO A 94 16.447 23.271 24.015 1.00 0.00 H new ATOM 0 HD3 PRO A 94 15.748 24.449 25.108 1.00 0.00 H new ATOM 1468 N SER A 95 19.333 26.883 21.871 1.00 0.00 N ATOM 1469 CA SER A 95 20.373 26.784 20.856 1.00 0.00 C ATOM 1470 C SER A 95 21.590 27.620 21.241 1.00 0.00 C ATOM 1471 O SER A 95 21.457 28.699 21.819 1.00 0.00 O ATOM 1472 CB SER A 95 19.836 27.240 19.498 1.00 0.00 C ATOM 1473 OG SER A 95 19.868 28.653 19.386 1.00 0.00 O ATOM 0 H SER A 95 18.816 27.762 21.860 1.00 0.00 H new ATOM 0 HA SER A 95 20.678 25.740 20.786 1.00 0.00 H new ATOM 0 HB2 SER A 95 20.431 26.795 18.700 1.00 0.00 H new ATOM 0 HB3 SER A 95 18.814 26.885 19.370 1.00 0.00 H new ATOM 0 HG SER A 95 19.522 28.920 18.509 1.00 0.00 H new ATOM 1479 N SER A 96 22.775 27.114 20.918 1.00 0.00 N ATOM 1480 CA SER A 96 24.016 27.811 21.233 1.00 0.00 C ATOM 1481 C SER A 96 24.476 28.662 20.053 1.00 0.00 C ATOM 1482 O SER A 96 24.218 28.333 18.897 1.00 0.00 O ATOM 1483 CB SER A 96 25.109 26.807 21.608 1.00 0.00 C ATOM 1484 OG SER A 96 25.285 26.746 23.013 1.00 0.00 O ATOM 0 H SER A 96 22.902 26.223 20.438 1.00 0.00 H new ATOM 0 HA SER A 96 23.829 28.468 22.082 1.00 0.00 H new ATOM 0 HB2 SER A 96 24.846 25.820 21.228 1.00 0.00 H new ATOM 0 HB3 SER A 96 26.048 27.092 21.133 1.00 0.00 H new ATOM 0 HG SER A 96 25.987 26.097 23.227 1.00 0.00 H new ATOM 1490 N GLY A 97 25.160 29.762 20.357 1.00 0.00 N ATOM 1491 CA GLY A 97 25.646 30.645 19.311 1.00 0.00 C ATOM 1492 C GLY A 97 25.958 32.035 19.826 1.00 0.00 C ATOM 1493 O GLY A 97 25.628 32.372 20.964 1.00 0.00 O ATOM 0 H GLY A 97 25.386 30.057 21.307 1.00 0.00 H new ATOM 0 HA2 GLY A 97 26.543 30.216 18.865 1.00 0.00 H new ATOM 0 HA3 GLY A 97 24.899 30.713 18.520 1.00 0.00 H new TER 1497 GLY A 97