USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 715 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 ASN : amide:sc= -6.01! C(o=-11!,f=-14!) USER MOD Set 1.2: A 16 HIS : no HD1:sc= -4.75 X(o=-11,f=-11!) USER MOD Single : A 1 VAL N :NH3+ 177:sc= -0.585 (180deg=-0.68) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00517 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.646 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 156:sc= 0.672 (180deg=0.359) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 147:sc= 0.00823 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -169:sc= 0 (180deg=-0.0801) USER MOD Single : A 36 HIS : no HD1:sc= -0.0475 X(o=-0.048,f=0) USER MOD Single : A 38 SER OG : rot -100:sc= -0.69 USER MOD Single : A 44 MET CE :methyl -140:sc= -1.87 (180deg=-5.39!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.464 X(o=0.46,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.91! K(o=-1.9!,f=-1.1) USER MOD Single : A 70 THR OG1 : rot -130:sc= -1.69 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0384) USER MOD Single : A 76 ASN : amide:sc= -2.4! K(o=-2.4!,f=-1.8) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 122:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.667 10.096 29.829 1.00 0.00 N ATOM 2 CA VAL A 1 2.031 9.944 30.415 1.00 0.00 C ATOM 3 C VAL A 1 2.986 10.964 29.804 1.00 0.00 C ATOM 4 O VAL A 1 3.548 10.734 28.733 1.00 0.00 O ATOM 5 CB VAL A 1 2.571 8.536 30.179 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.720 7.505 30.914 1.00 0.00 C ATOM 7 CG2 VAL A 1 2.619 8.225 28.687 1.00 0.00 C ATOM 0 H1 VAL A 1 0.039 9.363 30.216 1.00 0.00 H new ATOM 0 H2 VAL A 1 0.290 11.036 30.067 1.00 0.00 H new ATOM 0 H3 VAL A 1 0.720 9.996 28.795 1.00 0.00 H new ATOM 0 HA VAL A 1 1.956 10.116 31.489 1.00 0.00 H new ATOM 0 HB VAL A 1 3.586 8.487 30.573 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.121 6.507 30.734 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.737 7.715 31.983 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.694 7.555 30.551 1.00 0.00 H new ATOM 0 HG21 VAL A 1 3.007 7.217 28.538 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.615 8.293 28.269 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.270 8.942 28.187 1.00 0.00 H new ATOM 19 N PRO A 2 3.181 12.111 30.478 1.00 0.00 N ATOM 20 CA PRO A 2 4.075 13.170 29.993 1.00 0.00 C ATOM 21 C PRO A 2 5.543 12.826 30.216 1.00 0.00 C ATOM 22 O PRO A 2 5.866 11.872 30.925 1.00 0.00 O ATOM 23 CB PRO A 2 3.676 14.391 30.810 1.00 0.00 C ATOM 24 CG PRO A 2 3.073 13.853 32.068 1.00 0.00 C ATOM 25 CD PRO A 2 2.550 12.468 31.761 1.00 0.00 C ATOM 0 HA PRO A 2 3.977 13.324 28.918 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.541 15.018 31.027 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.962 15.010 30.267 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.816 13.815 32.864 1.00 0.00 H new ATOM 0 HG3 PRO A 2 2.267 14.500 32.415 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.817 11.760 32.545 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.463 12.462 31.684 1.00 0.00 H new ATOM 33 N LYS A 3 6.427 13.609 29.608 1.00 0.00 N ATOM 34 CA LYS A 3 7.863 13.390 29.738 1.00 0.00 C ATOM 35 C LYS A 3 8.591 14.720 29.879 1.00 0.00 C ATOM 36 O LYS A 3 9.068 15.285 28.895 1.00 0.00 O ATOM 37 CB LYS A 3 8.390 12.636 28.521 1.00 0.00 C ATOM 38 CG LYS A 3 7.803 11.229 28.444 1.00 0.00 C ATOM 39 CD LYS A 3 8.323 10.480 27.220 1.00 0.00 C ATOM 40 CE LYS A 3 8.924 9.132 27.611 1.00 0.00 C ATOM 41 NZ LYS A 3 10.406 9.220 27.751 1.00 0.00 N ATOM 0 H LYS A 3 6.174 14.403 29.019 1.00 0.00 H new ATOM 0 HA LYS A 3 8.044 12.794 30.632 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.141 13.186 27.614 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.477 12.577 28.570 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.058 10.676 29.348 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.715 11.288 28.403 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.509 10.326 26.512 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.076 11.084 26.714 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.487 8.796 28.551 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.671 8.386 26.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.785 8.289 28.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.823 9.518 26.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.644 9.914 28.488 1.00 0.00 H new ATOM 55 N VAL A 4 8.671 15.216 31.108 1.00 0.00 N ATOM 56 CA VAL A 4 9.341 16.482 31.382 1.00 0.00 C ATOM 57 C VAL A 4 10.420 16.294 32.438 1.00 0.00 C ATOM 58 O VAL A 4 10.674 15.178 32.891 1.00 0.00 O ATOM 59 CB VAL A 4 8.326 17.515 31.861 1.00 0.00 C ATOM 60 CG1 VAL A 4 7.390 17.913 30.725 1.00 0.00 C ATOM 61 CG2 VAL A 4 7.533 16.975 33.048 1.00 0.00 C ATOM 0 H VAL A 4 8.280 14.760 31.932 1.00 0.00 H new ATOM 0 HA VAL A 4 9.807 16.835 30.462 1.00 0.00 H new ATOM 0 HB VAL A 4 8.866 18.404 32.186 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.673 18.651 31.086 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.971 18.341 29.908 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.856 17.032 30.368 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.814 17.725 33.377 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.003 16.070 32.750 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.215 16.743 33.866 1.00 0.00 H new ATOM 71 N THR A 5 11.052 17.394 32.827 1.00 0.00 N ATOM 72 CA THR A 5 12.106 17.359 33.834 1.00 0.00 C ATOM 73 C THR A 5 12.392 18.764 34.346 1.00 0.00 C ATOM 74 O THR A 5 12.265 19.742 33.609 1.00 0.00 O ATOM 75 CB THR A 5 13.375 16.752 33.245 1.00 0.00 C ATOM 76 OG1 THR A 5 13.323 16.797 31.827 1.00 0.00 O ATOM 77 CG2 THR A 5 13.556 15.312 33.716 1.00 0.00 C ATOM 0 H THR A 5 10.853 18.324 32.459 1.00 0.00 H new ATOM 0 HA THR A 5 11.772 16.741 34.667 1.00 0.00 H new ATOM 0 HB THR A 5 14.228 17.336 33.591 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.142 16.407 31.457 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.467 14.900 33.283 1.00 0.00 H new ATOM 0 HG22 THR A 5 13.629 15.291 34.803 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.701 14.715 33.398 1.00 0.00 H new ATOM 85 N PHE A 6 12.777 18.859 35.613 1.00 0.00 N ATOM 86 CA PHE A 6 13.080 20.146 36.228 1.00 0.00 C ATOM 87 C PHE A 6 14.496 20.144 36.789 1.00 0.00 C ATOM 88 O PHE A 6 14.981 19.121 37.272 1.00 0.00 O ATOM 89 CB PHE A 6 12.077 20.440 37.339 1.00 0.00 C ATOM 90 CG PHE A 6 10.676 20.655 36.822 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.915 19.574 36.405 1.00 0.00 C ATOM 92 CD2 PHE A 6 10.148 21.935 36.763 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.630 19.773 35.931 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.861 22.132 36.288 1.00 0.00 C ATOM 95 CZ PHE A 6 8.103 21.052 35.872 1.00 0.00 C ATOM 0 H PHE A 6 12.887 18.059 36.236 1.00 0.00 H new ATOM 0 HA PHE A 6 13.008 20.924 35.468 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.074 19.612 38.048 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.397 21.327 37.886 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.325 18.576 36.450 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.739 22.779 37.087 1.00 0.00 H new ATOM 0 HE1 PHE A 6 8.038 18.930 35.607 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.449 23.129 36.243 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.100 21.207 35.501 1.00 0.00 H new ATOM 105 N THR A 7 15.155 21.296 36.723 1.00 0.00 N ATOM 106 CA THR A 7 16.519 21.428 37.224 1.00 0.00 C ATOM 107 C THR A 7 16.626 22.628 38.155 1.00 0.00 C ATOM 108 O THR A 7 15.633 23.299 38.437 1.00 0.00 O ATOM 109 CB THR A 7 17.491 21.586 36.058 1.00 0.00 C ATOM 110 OG1 THR A 7 16.915 21.059 34.873 1.00 0.00 O ATOM 111 CG2 THR A 7 18.813 20.882 36.355 1.00 0.00 C ATOM 0 H THR A 7 14.767 22.152 36.327 1.00 0.00 H new ATOM 0 HA THR A 7 16.775 20.527 37.782 1.00 0.00 H new ATOM 0 HB THR A 7 17.692 22.648 35.918 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.543 21.165 34.129 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.490 21.008 35.510 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.263 21.315 37.248 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.631 19.820 36.519 1.00 0.00 H new ATOM 119 N VAL A 8 17.837 22.894 38.631 1.00 0.00 N ATOM 120 CA VAL A 8 18.077 24.013 39.534 1.00 0.00 C ATOM 121 C VAL A 8 19.220 24.878 39.016 1.00 0.00 C ATOM 122 O VAL A 8 20.378 24.677 39.384 1.00 0.00 O ATOM 123 CB VAL A 8 18.410 23.491 40.928 1.00 0.00 C ATOM 124 CG1 VAL A 8 18.543 24.646 41.916 1.00 0.00 C ATOM 125 CG2 VAL A 8 17.345 22.503 41.397 1.00 0.00 C ATOM 0 H VAL A 8 18.669 22.349 38.406 1.00 0.00 H new ATOM 0 HA VAL A 8 17.174 24.622 39.585 1.00 0.00 H new ATOM 0 HB VAL A 8 19.366 22.970 40.881 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.781 24.254 42.905 1.00 0.00 H new ATOM 0 HG12 VAL A 8 19.340 25.314 41.590 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.603 25.197 41.961 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.598 22.141 42.393 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.376 23.000 41.428 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.300 21.662 40.706 1.00 0.00 H new ATOM 135 N GLU A 9 18.890 25.841 38.161 1.00 0.00 N ATOM 136 CA GLU A 9 19.891 26.739 37.594 1.00 0.00 C ATOM 137 C GLU A 9 20.726 27.365 38.702 1.00 0.00 C ATOM 138 O GLU A 9 20.234 27.598 39.806 1.00 0.00 O ATOM 139 CB GLU A 9 19.212 27.833 36.775 1.00 0.00 C ATOM 140 CG GLU A 9 18.872 27.343 35.371 1.00 0.00 C ATOM 141 CD GLU A 9 19.748 28.045 34.342 1.00 0.00 C ATOM 142 OE1 GLU A 9 19.759 29.294 34.323 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.421 27.345 33.556 1.00 0.00 O ATOM 0 H GLU A 9 17.937 26.020 37.845 1.00 0.00 H new ATOM 0 HA GLU A 9 20.546 26.162 36.942 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.302 28.157 37.280 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.867 28.702 36.711 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.019 26.265 35.309 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.821 27.535 35.156 1.00 0.00 H new ATOM 150 N LYS A 10 21.992 27.635 38.403 1.00 0.00 N ATOM 151 CA LYS A 10 22.898 28.234 39.377 1.00 0.00 C ATOM 152 C LYS A 10 22.527 29.692 39.620 1.00 0.00 C ATOM 153 O LYS A 10 23.311 30.598 39.334 1.00 0.00 O ATOM 154 CB LYS A 10 24.336 28.137 38.877 1.00 0.00 C ATOM 155 CG LYS A 10 24.632 26.752 38.309 1.00 0.00 C ATOM 156 CD LYS A 10 25.873 26.142 38.954 1.00 0.00 C ATOM 157 CE LYS A 10 26.003 24.660 38.610 1.00 0.00 C ATOM 158 NZ LYS A 10 27.234 24.397 37.812 1.00 0.00 N ATOM 0 H LYS A 10 22.415 27.449 37.494 1.00 0.00 H new ATOM 0 HA LYS A 10 22.810 27.691 40.318 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.508 28.892 38.110 1.00 0.00 H new ATOM 0 HB3 LYS A 10 25.023 28.352 39.695 1.00 0.00 H new ATOM 0 HG2 LYS A 10 23.775 26.098 38.474 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.777 26.822 37.231 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.761 26.676 38.616 1.00 0.00 H new ATOM 0 HD3 LYS A 10 25.821 26.264 40.036 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.029 24.072 39.527 1.00 0.00 H new ATOM 0 HE3 LYS A 10 25.127 24.336 38.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 27.296 23.382 37.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 27.196 24.941 36.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 28.070 24.685 38.359 1.00 0.00 H new ATOM 172 N GLY A 11 21.328 29.913 40.150 1.00 0.00 N ATOM 173 CA GLY A 11 20.851 31.264 40.433 1.00 0.00 C ATOM 174 C GLY A 11 19.814 31.255 41.551 1.00 0.00 C ATOM 175 O GLY A 11 18.998 32.170 41.658 1.00 0.00 O ATOM 0 H GLY A 11 20.668 29.174 40.393 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.691 31.898 40.717 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.416 31.696 39.532 1.00 0.00 H new ATOM 179 N SER A 12 19.851 30.220 42.385 1.00 0.00 N ATOM 180 CA SER A 12 18.912 30.101 43.496 1.00 0.00 C ATOM 181 C SER A 12 19.311 31.048 44.621 1.00 0.00 C ATOM 182 O SER A 12 20.272 30.795 45.347 1.00 0.00 O ATOM 183 CB SER A 12 18.884 28.662 44.006 1.00 0.00 C ATOM 184 OG SER A 12 18.136 27.837 43.127 1.00 0.00 O ATOM 0 H SER A 12 20.520 29.453 42.313 1.00 0.00 H new ATOM 0 HA SER A 12 17.915 30.370 43.146 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.902 28.281 44.094 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.446 28.632 45.003 1.00 0.00 H new ATOM 0 HG SER A 12 18.129 26.918 43.467 1.00 0.00 H new ATOM 190 N ASN A 13 18.569 32.143 44.757 1.00 0.00 N ATOM 191 CA ASN A 13 18.850 33.136 45.794 1.00 0.00 C ATOM 192 C ASN A 13 18.382 32.624 47.149 1.00 0.00 C ATOM 193 O ASN A 13 17.880 31.505 47.259 1.00 0.00 O ATOM 194 CB ASN A 13 18.161 34.472 45.482 1.00 0.00 C ATOM 195 CG ASN A 13 18.033 34.700 43.975 1.00 0.00 C ATOM 196 OD1 ASN A 13 17.055 35.285 43.509 1.00 0.00 O ATOM 197 ND2 ASN A 13 19.020 34.240 43.213 1.00 0.00 N ATOM 0 H ASN A 13 17.770 32.367 44.164 1.00 0.00 H new ATOM 0 HA ASN A 13 19.927 33.301 45.819 1.00 0.00 H new ATOM 0 HB2 ASN A 13 17.171 34.487 45.938 1.00 0.00 H new ATOM 0 HB3 ASN A 13 18.730 35.288 45.927 1.00 0.00 H new ATOM 0 HD21 ASN A 13 18.985 34.366 42.201 1.00 0.00 H new ATOM 0 HD22 ASN A 13 19.813 33.761 43.640 1.00 0.00 H new ATOM 204 N GLU A 14 18.550 33.446 48.179 1.00 0.00 N ATOM 205 CA GLU A 14 18.144 33.070 49.530 1.00 0.00 C ATOM 206 C GLU A 14 16.640 32.834 49.588 1.00 0.00 C ATOM 207 O GLU A 14 16.170 31.949 50.304 1.00 0.00 O ATOM 208 CB GLU A 14 18.542 34.159 50.525 1.00 0.00 C ATOM 209 CG GLU A 14 18.223 35.553 49.989 1.00 0.00 C ATOM 210 CD GLU A 14 18.130 36.549 51.137 1.00 0.00 C ATOM 211 OE1 GLU A 14 18.745 36.297 52.195 1.00 0.00 O ATOM 212 OE2 GLU A 14 17.443 37.579 50.977 1.00 0.00 O ATOM 0 H GLU A 14 18.964 34.375 48.106 1.00 0.00 H new ATOM 0 HA GLU A 14 18.653 32.144 49.798 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.017 34.002 51.467 1.00 0.00 H new ATOM 0 HB3 GLU A 14 19.608 34.086 50.738 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.996 35.867 49.288 1.00 0.00 H new ATOM 0 HG3 GLU A 14 17.282 35.533 49.439 1.00 0.00 H new ATOM 219 N LYS A 15 15.886 33.634 48.840 1.00 0.00 N ATOM 220 CA LYS A 15 14.430 33.515 48.814 1.00 0.00 C ATOM 221 C LYS A 15 13.931 33.328 47.386 1.00 0.00 C ATOM 222 O LYS A 15 12.873 33.839 47.019 1.00 0.00 O ATOM 223 CB LYS A 15 13.795 34.764 49.423 1.00 0.00 C ATOM 224 CG LYS A 15 14.580 36.021 49.050 1.00 0.00 C ATOM 225 CD LYS A 15 13.686 37.252 48.994 1.00 0.00 C ATOM 226 CE LYS A 15 12.568 37.087 47.968 1.00 0.00 C ATOM 227 NZ LYS A 15 11.883 38.384 47.701 1.00 0.00 N ATOM 0 H LYS A 15 16.259 34.372 48.243 1.00 0.00 H new ATOM 0 HA LYS A 15 14.145 32.641 49.400 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.766 34.858 49.076 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.757 34.664 50.508 1.00 0.00 H new ATOM 0 HG2 LYS A 15 15.375 36.182 49.778 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.059 35.876 48.082 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.254 37.434 49.978 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.286 38.127 48.742 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.979 36.692 47.039 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.843 36.358 48.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.438 38.355 46.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.154 38.547 48.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.579 39.157 47.731 1.00 0.00 H new ATOM 241 N HIS A 16 14.694 32.593 46.582 1.00 0.00 N ATOM 242 CA HIS A 16 14.320 32.343 45.193 1.00 0.00 C ATOM 243 C HIS A 16 14.546 30.880 44.833 1.00 0.00 C ATOM 244 O HIS A 16 14.922 30.072 45.682 1.00 0.00 O ATOM 245 CB HIS A 16 15.133 33.238 44.263 1.00 0.00 C ATOM 246 CG HIS A 16 14.475 34.558 44.005 1.00 0.00 C ATOM 247 ND1 HIS A 16 14.347 35.534 44.959 1.00 0.00 N ATOM 248 CD2 HIS A 16 13.898 35.079 42.892 1.00 0.00 C ATOM 249 CE1 HIS A 16 13.734 36.588 44.475 1.00 0.00 C ATOM 250 NE2 HIS A 16 13.442 36.347 43.207 1.00 0.00 N ATOM 0 H HIS A 16 15.573 32.161 46.867 1.00 0.00 H new ATOM 0 HA HIS A 16 13.261 32.572 45.074 1.00 0.00 H new ATOM 0 HB2 HIS A 16 16.118 33.407 44.699 1.00 0.00 H new ATOM 0 HB3 HIS A 16 15.288 32.723 43.315 1.00 0.00 H new ATOM 0 HD2 HIS A 16 13.811 34.591 41.932 1.00 0.00 H new ATOM 0 HE1 HIS A 16 13.507 37.494 45.017 1.00 0.00 H new ATOM 0 HE2 HIS A 16 12.964 36.986 42.572 1.00 0.00 H new ATOM 258 N LEU A 17 14.313 30.546 43.567 1.00 0.00 N ATOM 259 CA LEU A 17 14.489 29.178 43.088 1.00 0.00 C ATOM 260 C LEU A 17 14.466 29.145 41.565 1.00 0.00 C ATOM 261 O LEU A 17 13.423 28.912 40.955 1.00 0.00 O ATOM 262 CB LEU A 17 13.384 28.284 43.647 1.00 0.00 C ATOM 263 CG LEU A 17 13.566 26.833 43.212 1.00 0.00 C ATOM 264 CD1 LEU A 17 14.967 26.337 43.558 1.00 0.00 C ATOM 265 CD2 LEU A 17 12.511 25.943 43.863 1.00 0.00 C ATOM 0 H LEU A 17 14.001 31.205 42.853 1.00 0.00 H new ATOM 0 HA LEU A 17 15.455 28.807 43.431 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.384 28.341 44.735 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.414 28.648 43.308 1.00 0.00 H new ATOM 0 HG LEU A 17 13.442 26.784 42.130 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.075 25.300 43.239 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.707 26.953 43.047 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.121 26.403 44.635 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.656 24.912 43.541 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.605 26.001 44.947 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.518 26.279 43.566 1.00 0.00 H new ATOM 277 N ALA A 18 15.624 29.382 40.955 1.00 0.00 N ATOM 278 CA ALA A 18 15.741 29.384 39.500 1.00 0.00 C ATOM 279 C ALA A 18 15.868 27.961 38.971 1.00 0.00 C ATOM 280 O ALA A 18 16.910 27.322 39.121 1.00 0.00 O ATOM 281 CB ALA A 18 16.958 30.201 39.076 1.00 0.00 C ATOM 0 H ALA A 18 16.496 29.576 41.447 1.00 0.00 H new ATOM 0 HA ALA A 18 14.840 29.834 39.082 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.038 30.197 37.989 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.848 31.227 39.428 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.858 29.763 39.507 1.00 0.00 H new ATOM 287 N VAL A 19 14.803 27.471 38.345 1.00 0.00 N ATOM 288 CA VAL A 19 14.794 26.124 37.785 1.00 0.00 C ATOM 289 C VAL A 19 15.307 26.148 36.353 1.00 0.00 C ATOM 290 O VAL A 19 15.810 27.165 35.880 1.00 0.00 O ATOM 291 CB VAL A 19 13.378 25.549 37.824 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.823 25.591 39.245 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.457 26.304 36.868 1.00 0.00 C ATOM 0 H VAL A 19 13.933 27.987 38.213 1.00 0.00 H new ATOM 0 HA VAL A 19 15.449 25.491 38.383 1.00 0.00 H new ATOM 0 HB VAL A 19 13.425 24.509 37.500 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.814 25.178 39.254 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.462 25.002 39.903 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.795 26.623 39.594 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.455 25.876 36.914 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.416 27.355 37.156 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.841 26.221 35.851 1.00 0.00 H new ATOM 303 N LEU A 20 15.169 25.023 35.670 1.00 0.00 N ATOM 304 CA LEU A 20 15.611 24.909 34.285 1.00 0.00 C ATOM 305 C LEU A 20 14.636 24.054 33.488 1.00 0.00 C ATOM 306 O LEU A 20 15.016 23.038 32.906 1.00 0.00 O ATOM 307 CB LEU A 20 17.009 24.302 34.231 1.00 0.00 C ATOM 308 CG LEU A 20 17.803 24.841 33.045 1.00 0.00 C ATOM 309 CD1 LEU A 20 19.283 24.500 33.192 1.00 0.00 C ATOM 310 CD2 LEU A 20 17.253 24.285 31.735 1.00 0.00 C ATOM 0 H LEU A 20 14.754 24.173 36.051 1.00 0.00 H new ATOM 0 HA LEU A 20 15.641 25.905 33.843 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.540 24.523 35.157 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.934 23.217 34.158 1.00 0.00 H new ATOM 0 HG LEU A 20 17.700 25.926 33.028 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.833 24.892 32.337 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.670 24.946 34.108 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.404 23.418 33.236 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.832 24.681 30.900 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.324 23.197 31.743 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.209 24.579 31.624 1.00 0.00 H new ATOM 322 N VAL A 21 13.374 24.472 33.468 1.00 0.00 N ATOM 323 CA VAL A 21 12.334 23.746 32.744 1.00 0.00 C ATOM 324 C VAL A 21 12.511 23.920 31.241 1.00 0.00 C ATOM 325 O VAL A 21 12.373 25.024 30.714 1.00 0.00 O ATOM 326 CB VAL A 21 10.952 24.246 33.163 1.00 0.00 C ATOM 327 CG1 VAL A 21 9.871 23.270 32.705 1.00 0.00 C ATOM 328 CG2 VAL A 21 10.883 24.448 34.675 1.00 0.00 C ATOM 0 H VAL A 21 13.046 25.311 33.946 1.00 0.00 H new ATOM 0 HA VAL A 21 12.420 22.687 32.988 1.00 0.00 H new ATOM 0 HB VAL A 21 10.778 25.209 32.683 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.893 23.641 33.011 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.900 23.178 31.619 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.047 22.294 33.157 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.890 24.804 34.950 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.081 23.501 35.178 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.629 25.183 34.978 1.00 0.00 H new ATOM 338 N LYS A 22 12.811 22.822 30.555 1.00 0.00 N ATOM 339 CA LYS A 22 13.002 22.849 29.109 1.00 0.00 C ATOM 340 C LYS A 22 12.964 21.435 28.544 1.00 0.00 C ATOM 341 O LYS A 22 13.085 20.458 29.284 1.00 0.00 O ATOM 342 CB LYS A 22 14.333 23.519 28.766 1.00 0.00 C ATOM 343 CG LYS A 22 15.522 22.659 29.190 1.00 0.00 C ATOM 344 CD LYS A 22 15.923 21.686 28.084 1.00 0.00 C ATOM 345 CE LYS A 22 17.314 22.006 27.544 1.00 0.00 C ATOM 346 NZ LYS A 22 17.332 21.999 26.053 1.00 0.00 N ATOM 0 H LYS A 22 12.927 21.901 30.978 1.00 0.00 H new ATOM 0 HA LYS A 22 12.193 23.425 28.661 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.382 23.704 27.693 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.390 24.489 29.260 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.368 23.300 29.438 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.268 22.103 30.093 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.905 20.666 28.469 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.196 21.733 27.273 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.632 22.983 27.909 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.030 21.276 27.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.291 22.220 25.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.051 21.059 25.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.666 22.713 25.694 1.00 0.00 H new ATOM 360 N TYR A 23 12.796 21.330 27.231 1.00 0.00 N ATOM 361 CA TYR A 23 12.742 20.032 26.566 1.00 0.00 C ATOM 362 C TYR A 23 12.397 20.205 25.093 1.00 0.00 C ATOM 363 O TYR A 23 11.702 21.148 24.715 1.00 0.00 O ATOM 364 CB TYR A 23 11.709 19.129 27.244 1.00 0.00 C ATOM 365 CG TYR A 23 10.517 19.880 27.777 1.00 0.00 C ATOM 366 CD1 TYR A 23 9.699 20.589 26.915 1.00 0.00 C ATOM 367 CD2 TYR A 23 10.238 19.858 29.132 1.00 0.00 C ATOM 368 CE1 TYR A 23 8.604 21.276 27.410 1.00 0.00 C ATOM 369 CE2 TYR A 23 9.143 20.545 29.625 1.00 0.00 C ATOM 370 CZ TYR A 23 8.331 21.251 28.762 1.00 0.00 C ATOM 371 OH TYR A 23 7.241 21.934 29.253 1.00 0.00 O ATOM 0 H TYR A 23 12.695 22.129 26.605 1.00 0.00 H new ATOM 0 HA TYR A 23 13.723 19.563 26.644 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.368 18.380 26.530 1.00 0.00 H new ATOM 0 HB3 TYR A 23 12.188 18.593 28.064 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.915 20.606 25.857 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.875 19.304 29.805 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.965 21.830 26.739 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.925 20.529 30.683 1.00 0.00 H new ATOM 0 HH TYR A 23 6.870 21.450 30.020 1.00 0.00 H new ATOM 381 N GLU A 24 12.890 19.290 24.265 1.00 0.00 N ATOM 382 CA GLU A 24 12.638 19.340 22.828 1.00 0.00 C ATOM 383 C GLU A 24 11.255 18.788 22.510 1.00 0.00 C ATOM 384 O GLU A 24 10.643 19.160 21.508 1.00 0.00 O ATOM 385 CB GLU A 24 13.701 18.534 22.086 1.00 0.00 C ATOM 386 CG GLU A 24 13.605 17.049 22.424 1.00 0.00 C ATOM 387 CD GLU A 24 14.998 16.454 22.588 1.00 0.00 C ATOM 388 OE1 GLU A 24 15.910 17.186 23.027 1.00 0.00 O ATOM 389 OE2 GLU A 24 15.174 15.257 22.278 1.00 0.00 O ATOM 0 H GLU A 24 13.467 18.504 24.564 1.00 0.00 H new ATOM 0 HA GLU A 24 12.682 20.379 22.503 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.582 18.673 21.011 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.692 18.906 22.348 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.034 16.914 23.343 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.068 16.523 21.635 1.00 0.00 H new ATOM 396 N GLY A 25 10.766 17.898 23.368 1.00 0.00 N ATOM 397 CA GLY A 25 9.453 17.290 23.179 1.00 0.00 C ATOM 398 C GLY A 25 8.381 18.359 23.004 1.00 0.00 C ATOM 399 O GLY A 25 7.908 18.602 21.894 1.00 0.00 O ATOM 0 H GLY A 25 11.260 17.581 24.202 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.471 16.640 22.304 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.211 16.663 24.037 1.00 0.00 H new ATOM 403 N ASP A 26 7.999 18.994 24.108 1.00 0.00 N ATOM 404 CA ASP A 26 6.979 20.037 24.079 1.00 0.00 C ATOM 405 C ASP A 26 7.626 21.410 23.946 1.00 0.00 C ATOM 406 O ASP A 26 8.799 21.522 23.591 1.00 0.00 O ATOM 407 CB ASP A 26 6.137 19.975 25.349 1.00 0.00 C ATOM 408 CG ASP A 26 4.660 20.132 25.011 1.00 0.00 C ATOM 409 OD1 ASP A 26 4.023 19.121 24.647 1.00 0.00 O ATOM 410 OD2 ASP A 26 4.143 21.264 25.111 1.00 0.00 O ATOM 0 H ASP A 26 8.381 18.804 25.035 1.00 0.00 H new ATOM 0 HA ASP A 26 6.334 19.873 23.216 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.302 19.025 25.857 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.445 20.762 26.037 1.00 0.00 H new ATOM 415 N THR A 27 6.853 22.454 24.231 1.00 0.00 N ATOM 416 CA THR A 27 7.350 23.824 24.140 1.00 0.00 C ATOM 417 C THR A 27 7.141 24.555 25.463 1.00 0.00 C ATOM 418 O THR A 27 7.006 23.926 26.512 1.00 0.00 O ATOM 419 CB THR A 27 6.633 24.564 23.013 1.00 0.00 C ATOM 420 OG1 THR A 27 5.866 23.652 22.240 1.00 0.00 O ATOM 421 CG2 THR A 27 7.636 25.290 22.121 1.00 0.00 C ATOM 0 H THR A 27 5.880 22.378 24.527 1.00 0.00 H new ATOM 0 HA THR A 27 8.418 23.795 23.924 1.00 0.00 H new ATOM 0 HB THR A 27 5.966 25.303 23.457 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.409 24.136 21.521 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.104 25.811 21.325 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.196 26.012 22.716 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.325 24.567 21.685 1.00 0.00 H new ATOM 429 N MET A 28 7.122 25.885 25.409 1.00 0.00 N ATOM 430 CA MET A 28 6.935 26.696 26.607 1.00 0.00 C ATOM 431 C MET A 28 5.882 27.770 26.371 1.00 0.00 C ATOM 432 O MET A 28 5.973 28.544 25.417 1.00 0.00 O ATOM 433 CB MET A 28 8.251 27.353 26.997 1.00 0.00 C ATOM 434 CG MET A 28 9.359 26.319 27.167 1.00 0.00 C ATOM 435 SD MET A 28 10.987 27.074 27.301 1.00 0.00 S ATOM 436 CE MET A 28 11.308 27.497 25.581 1.00 0.00 C ATOM 0 H MET A 28 7.234 26.422 24.549 1.00 0.00 H new ATOM 0 HA MET A 28 6.597 26.045 27.413 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.539 28.075 26.233 1.00 0.00 H new ATOM 0 HB3 MET A 28 8.122 27.907 27.927 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.163 25.724 28.059 1.00 0.00 H new ATOM 0 HG3 MET A 28 9.347 25.635 26.318 1.00 0.00 H new ATOM 0 HE1 MET A 28 12.351 27.793 25.468 1.00 0.00 H new ATOM 0 HE2 MET A 28 11.105 26.632 24.950 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.662 28.323 25.283 1.00 0.00 H new ATOM 446 N ALA A 29 4.888 27.817 27.249 1.00 0.00 N ATOM 447 CA ALA A 29 3.816 28.801 27.144 1.00 0.00 C ATOM 448 C ALA A 29 3.686 29.575 28.451 1.00 0.00 C ATOM 449 O ALA A 29 3.549 30.799 28.451 1.00 0.00 O ATOM 450 CB ALA A 29 2.502 28.099 26.819 1.00 0.00 C ATOM 0 H ALA A 29 4.801 27.184 28.044 1.00 0.00 H new ATOM 0 HA ALA A 29 4.053 29.502 26.344 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.704 28.838 26.742 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.598 27.568 25.872 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.263 27.389 27.611 1.00 0.00 H new ATOM 456 N GLU A 30 3.738 28.849 29.563 1.00 0.00 N ATOM 457 CA GLU A 30 3.634 29.450 30.889 1.00 0.00 C ATOM 458 C GLU A 30 4.110 28.454 31.938 1.00 0.00 C ATOM 459 O GLU A 30 4.315 27.281 31.634 1.00 0.00 O ATOM 460 CB GLU A 30 2.190 29.858 31.168 1.00 0.00 C ATOM 461 CG GLU A 30 2.051 31.375 31.249 1.00 0.00 C ATOM 462 CD GLU A 30 1.938 31.819 32.701 1.00 0.00 C ATOM 463 OE1 GLU A 30 2.444 31.097 33.585 1.00 0.00 O ATOM 464 OE2 GLU A 30 1.343 32.888 32.952 1.00 0.00 O ATOM 0 H GLU A 30 3.852 27.835 29.572 1.00 0.00 H new ATOM 0 HA GLU A 30 4.261 30.341 30.930 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.542 29.472 30.381 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.857 29.409 32.104 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.913 31.851 30.782 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.170 31.696 30.694 1.00 0.00 H new ATOM 471 N VAL A 31 4.294 28.917 33.171 1.00 0.00 N ATOM 472 CA VAL A 31 4.753 28.042 34.247 1.00 0.00 C ATOM 473 C VAL A 31 4.299 28.562 35.603 1.00 0.00 C ATOM 474 O VAL A 31 4.394 29.755 35.886 1.00 0.00 O ATOM 475 CB VAL A 31 6.277 27.938 34.233 1.00 0.00 C ATOM 476 CG1 VAL A 31 6.743 26.795 35.131 1.00 0.00 C ATOM 477 CG2 VAL A 31 6.798 27.745 32.813 1.00 0.00 C ATOM 0 H VAL A 31 4.134 29.885 33.449 1.00 0.00 H new ATOM 0 HA VAL A 31 4.318 27.056 34.083 1.00 0.00 H new ATOM 0 HB VAL A 31 6.683 28.873 34.620 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.831 26.735 35.109 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.410 26.976 36.153 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.321 25.856 34.773 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.886 27.674 32.831 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.381 26.829 32.394 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.500 28.594 32.198 1.00 0.00 H new ATOM 487 N GLU A 32 3.824 27.651 36.446 1.00 0.00 N ATOM 488 CA GLU A 32 3.374 27.998 37.785 1.00 0.00 C ATOM 489 C GLU A 32 3.946 26.994 38.785 1.00 0.00 C ATOM 490 O GLU A 32 4.004 25.796 38.508 1.00 0.00 O ATOM 491 CB GLU A 32 1.841 28.047 37.827 1.00 0.00 C ATOM 492 CG GLU A 32 1.208 26.675 38.045 1.00 0.00 C ATOM 493 CD GLU A 32 -0.143 26.596 37.344 1.00 0.00 C ATOM 494 OE1 GLU A 32 -0.341 27.324 36.349 1.00 0.00 O ATOM 495 OE2 GLU A 32 -1.000 25.805 37.791 1.00 0.00 O ATOM 0 H GLU A 32 3.741 26.660 36.221 1.00 0.00 H new ATOM 0 HA GLU A 32 3.736 28.989 38.059 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.526 28.718 38.626 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.470 28.468 36.892 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.869 25.897 37.663 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.083 26.491 39.112 1.00 0.00 H new ATOM 502 N LEU A 33 4.403 27.490 39.929 1.00 0.00 N ATOM 503 CA LEU A 33 5.008 26.645 40.940 1.00 0.00 C ATOM 504 C LEU A 33 4.204 26.692 42.242 1.00 0.00 C ATOM 505 O LEU A 33 3.505 27.665 42.524 1.00 0.00 O ATOM 506 CB LEU A 33 6.447 27.137 41.145 1.00 0.00 C ATOM 507 CG LEU A 33 7.055 26.686 42.469 1.00 0.00 C ATOM 508 CD1 LEU A 33 7.308 25.181 42.464 1.00 0.00 C ATOM 509 CD2 LEU A 33 8.349 27.444 42.748 1.00 0.00 C ATOM 0 H LEU A 33 4.364 28.479 40.176 1.00 0.00 H new ATOM 0 HA LEU A 33 5.013 25.603 40.620 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.068 26.775 40.326 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.462 28.226 41.098 1.00 0.00 H new ATOM 0 HG LEU A 33 6.344 26.910 43.264 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.742 24.882 43.418 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.366 24.654 42.313 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.997 24.931 41.658 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.769 27.110 43.697 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.063 27.252 41.947 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.141 28.513 42.800 1.00 0.00 H new ATOM 521 N ARG A 34 4.336 25.631 43.036 1.00 0.00 N ATOM 522 CA ARG A 34 3.656 25.528 44.323 1.00 0.00 C ATOM 523 C ARG A 34 4.627 24.976 45.365 1.00 0.00 C ATOM 524 O ARG A 34 5.841 25.087 45.203 1.00 0.00 O ATOM 525 CB ARG A 34 2.429 24.626 44.200 1.00 0.00 C ATOM 526 CG ARG A 34 1.166 25.337 44.688 1.00 0.00 C ATOM 527 CD ARG A 34 1.334 25.886 46.105 1.00 0.00 C ATOM 528 NE ARG A 34 0.570 27.119 46.266 1.00 0.00 N ATOM 529 CZ ARG A 34 1.115 28.216 46.786 1.00 0.00 C ATOM 530 NH1 ARG A 34 2.143 28.121 47.619 1.00 0.00 N ATOM 531 NH2 ARG A 34 0.630 29.411 46.474 1.00 0.00 N ATOM 0 H ARG A 34 4.915 24.823 42.806 1.00 0.00 H new ATOM 0 HA ARG A 34 3.321 26.516 44.637 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.300 24.323 43.161 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.584 23.716 44.780 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.923 26.154 44.008 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.326 24.643 44.665 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.999 25.145 46.831 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.388 26.075 46.306 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.407 27.140 45.972 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.519 27.205 47.863 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.558 28.964 48.015 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.161 29.489 45.835 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.048 30.251 46.873 1.00 0.00 H new ATOM 545 N GLU A 35 4.100 24.382 46.432 1.00 0.00 N ATOM 546 CA GLU A 35 4.945 23.822 47.481 1.00 0.00 C ATOM 547 C GLU A 35 4.226 22.687 48.198 1.00 0.00 C ATOM 548 O GLU A 35 4.476 21.513 47.925 1.00 0.00 O ATOM 549 CB GLU A 35 5.330 24.910 48.479 1.00 0.00 C ATOM 550 CG GLU A 35 6.561 25.678 48.008 1.00 0.00 C ATOM 551 CD GLU A 35 6.204 27.136 47.746 1.00 0.00 C ATOM 552 OE1 GLU A 35 5.295 27.657 48.425 1.00 0.00 O ATOM 553 OE2 GLU A 35 6.835 27.754 46.863 1.00 0.00 O ATOM 0 H GLU A 35 3.098 24.277 46.592 1.00 0.00 H new ATOM 0 HA GLU A 35 5.850 23.424 47.022 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.496 25.599 48.610 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.528 24.461 49.452 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.346 25.618 48.762 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.956 25.224 47.099 1.00 0.00 H new ATOM 560 N HIS A 36 3.334 23.041 49.117 1.00 0.00 N ATOM 561 CA HIS A 36 2.583 22.043 49.872 1.00 0.00 C ATOM 562 C HIS A 36 1.682 22.711 50.905 1.00 0.00 C ATOM 563 O HIS A 36 2.158 23.405 51.804 1.00 0.00 O ATOM 564 CB HIS A 36 3.549 21.086 50.565 1.00 0.00 C ATOM 565 CG HIS A 36 3.279 19.651 50.237 1.00 0.00 C ATOM 566 ND1 HIS A 36 4.262 18.760 49.889 1.00 0.00 N ATOM 567 CD2 HIS A 36 2.128 18.933 50.200 1.00 0.00 C ATOM 568 CE1 HIS A 36 3.758 17.571 49.652 1.00 0.00 C ATOM 569 NE2 HIS A 36 2.449 17.638 49.833 1.00 0.00 N ATOM 0 H HIS A 36 3.113 24.008 49.357 1.00 0.00 H new ATOM 0 HA HIS A 36 1.955 21.484 49.179 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.570 21.334 50.275 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.481 21.226 51.644 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.138 19.306 50.418 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.314 16.692 49.360 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.790 16.868 49.721 1.00 0.00 H new ATOM 577 N GLY A 37 0.378 22.489 50.772 1.00 0.00 N ATOM 578 CA GLY A 37 -0.601 23.058 51.694 1.00 0.00 C ATOM 579 C GLY A 37 -0.422 24.566 51.825 1.00 0.00 C ATOM 580 O GLY A 37 -0.109 25.070 52.903 1.00 0.00 O ATOM 0 H GLY A 37 -0.027 21.917 50.031 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.608 22.838 51.341 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.497 22.590 52.673 1.00 0.00 H new ATOM 584 N SER A 38 -0.627 25.282 50.725 1.00 0.00 N ATOM 585 CA SER A 38 -0.493 26.733 50.716 1.00 0.00 C ATOM 586 C SER A 38 -1.855 27.388 50.527 1.00 0.00 C ATOM 587 O SER A 38 -2.395 28.003 51.447 1.00 0.00 O ATOM 588 CB SER A 38 0.446 27.157 49.593 1.00 0.00 C ATOM 589 OG SER A 38 1.094 26.026 49.030 1.00 0.00 O ATOM 0 H SER A 38 -0.888 24.879 49.825 1.00 0.00 H new ATOM 0 HA SER A 38 -0.079 27.054 51.672 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.116 27.683 48.821 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.190 27.855 49.977 1.00 0.00 H new ATOM 0 HG SER A 38 2.000 25.952 49.397 1.00 0.00 H new ATOM 595 N ASP A 39 -2.406 27.251 49.325 1.00 0.00 N ATOM 596 CA ASP A 39 -3.708 27.825 49.002 1.00 0.00 C ATOM 597 C ASP A 39 -4.073 27.515 47.557 1.00 0.00 C ATOM 598 O ASP A 39 -5.053 26.821 47.288 1.00 0.00 O ATOM 599 CB ASP A 39 -3.685 29.335 49.218 1.00 0.00 C ATOM 600 CG ASP A 39 -5.079 29.917 49.023 1.00 0.00 C ATOM 601 OD1 ASP A 39 -6.055 29.293 49.491 1.00 0.00 O ATOM 602 OD2 ASP A 39 -5.194 30.994 48.402 1.00 0.00 O ATOM 0 H ASP A 39 -1.969 26.745 48.555 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.457 27.384 49.660 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.326 29.560 50.222 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.989 29.799 48.519 1.00 0.00 H new ATOM 607 N GLU A 40 -3.275 28.033 46.628 1.00 0.00 N ATOM 608 CA GLU A 40 -3.510 27.812 45.206 1.00 0.00 C ATOM 609 C GLU A 40 -2.218 28.000 44.420 1.00 0.00 C ATOM 610 O GLU A 40 -1.256 28.584 44.917 1.00 0.00 O ATOM 611 CB GLU A 40 -4.578 28.776 44.698 1.00 0.00 C ATOM 612 CG GLU A 40 -5.939 28.091 44.609 1.00 0.00 C ATOM 613 CD GLU A 40 -6.951 29.012 43.941 1.00 0.00 C ATOM 614 OE1 GLU A 40 -7.227 30.096 44.496 1.00 0.00 O ATOM 615 OE2 GLU A 40 -7.467 28.647 42.864 1.00 0.00 O ATOM 0 H GLU A 40 -2.459 28.609 46.835 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.859 26.789 45.063 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.643 29.636 45.365 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.293 29.155 43.716 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.851 27.164 44.042 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.285 27.823 45.607 1.00 0.00 H new ATOM 622 N TRP A 41 -2.203 27.497 43.190 1.00 0.00 N ATOM 623 CA TRP A 41 -1.029 27.602 42.329 1.00 0.00 C ATOM 624 C TRP A 41 -0.635 29.059 42.132 1.00 0.00 C ATOM 625 O TRP A 41 -1.490 29.944 42.099 1.00 0.00 O ATOM 626 CB TRP A 41 -1.320 26.953 40.980 1.00 0.00 C ATOM 627 CG TRP A 41 -1.536 25.476 41.092 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.729 24.832 41.275 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.525 24.449 41.032 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.498 23.486 41.330 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.172 23.216 41.185 1.00 0.00 C ATOM 632 CE3 TRP A 41 0.861 24.454 40.863 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.482 22.016 41.175 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.560 23.255 40.852 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.893 22.046 41.006 1.00 0.00 C ATOM 0 H TRP A 41 -2.993 27.011 42.765 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.198 27.083 42.808 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.205 27.415 40.541 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -0.490 27.146 40.301 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.694 25.309 41.362 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.222 22.779 41.462 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.388 25.389 40.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.003 21.078 41.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.632 23.262 40.723 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.451 21.121 40.994 1.00 0.00 H new ATOM 646 N VAL A 42 0.666 29.304 41.998 1.00 0.00 N ATOM 647 CA VAL A 42 1.173 30.656 41.799 1.00 0.00 C ATOM 648 C VAL A 42 2.109 30.683 40.603 1.00 0.00 C ATOM 649 O VAL A 42 3.224 30.166 40.663 1.00 0.00 O ATOM 650 CB VAL A 42 1.907 31.133 43.050 1.00 0.00 C ATOM 651 CG1 VAL A 42 0.909 31.584 44.113 1.00 0.00 C ATOM 652 CG2 VAL A 42 2.813 30.033 43.596 1.00 0.00 C ATOM 0 H VAL A 42 1.387 28.583 42.024 1.00 0.00 H new ATOM 0 HA VAL A 42 0.334 31.325 41.610 1.00 0.00 H new ATOM 0 HB VAL A 42 2.531 31.984 42.779 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.448 31.921 44.998 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.306 32.403 43.722 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.259 30.750 44.379 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.327 30.394 44.487 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.212 29.160 43.852 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.548 29.758 42.840 1.00 0.00 H new ATOM 662 N ALA A 43 1.647 31.282 39.509 1.00 0.00 N ATOM 663 CA ALA A 43 2.441 31.369 38.287 1.00 0.00 C ATOM 664 C ALA A 43 3.871 31.803 38.600 1.00 0.00 C ATOM 665 O ALA A 43 4.099 32.653 39.461 1.00 0.00 O ATOM 666 CB ALA A 43 1.800 32.358 37.317 1.00 0.00 C ATOM 0 H ALA A 43 0.726 31.715 39.444 1.00 0.00 H new ATOM 0 HA ALA A 43 2.472 30.381 37.827 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.399 32.417 36.408 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.794 32.022 37.067 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.749 33.343 37.782 1.00 0.00 H new ATOM 672 N MET A 44 4.827 31.207 37.899 1.00 0.00 N ATOM 673 CA MET A 44 6.239 31.518 38.096 1.00 0.00 C ATOM 674 C MET A 44 6.520 32.974 37.744 1.00 0.00 C ATOM 675 O MET A 44 5.599 33.758 37.516 1.00 0.00 O ATOM 676 CB MET A 44 7.090 30.599 37.226 1.00 0.00 C ATOM 677 CG MET A 44 7.693 29.460 38.042 1.00 0.00 C ATOM 678 SD MET A 44 9.365 29.825 38.600 1.00 0.00 S ATOM 679 CE MET A 44 9.812 28.266 39.379 1.00 0.00 C ATOM 0 H MET A 44 4.650 30.501 37.184 1.00 0.00 H new ATOM 0 HA MET A 44 6.491 31.362 39.145 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.479 30.189 36.422 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.888 31.175 36.758 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.060 29.261 38.907 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.704 28.552 37.440 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.369 28.463 40.295 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.908 27.706 39.618 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.430 27.682 38.697 1.00 0.00 H new ATOM 689 N THR A 45 7.801 33.330 37.702 1.00 0.00 N ATOM 690 CA THR A 45 8.210 34.693 37.377 1.00 0.00 C ATOM 691 C THR A 45 9.423 34.676 36.455 1.00 0.00 C ATOM 692 O THR A 45 10.556 34.514 36.907 1.00 0.00 O ATOM 693 CB THR A 45 8.541 35.459 38.654 1.00 0.00 C ATOM 694 OG1 THR A 45 7.414 35.475 39.516 1.00 0.00 O ATOM 695 CG2 THR A 45 8.973 36.887 38.332 1.00 0.00 C ATOM 0 H THR A 45 8.575 32.692 37.889 1.00 0.00 H new ATOM 0 HA THR A 45 7.386 35.191 36.866 1.00 0.00 H new ATOM 0 HB THR A 45 9.368 34.954 39.154 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.635 35.967 40.334 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.204 37.415 39.257 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.858 36.865 37.696 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.166 37.403 37.812 1.00 0.00 H new ATOM 703 N LYS A 46 9.177 34.843 35.160 1.00 0.00 N ATOM 704 CA LYS A 46 10.249 34.846 34.170 1.00 0.00 C ATOM 705 C LYS A 46 11.144 36.065 34.356 1.00 0.00 C ATOM 706 O LYS A 46 11.024 37.052 33.630 1.00 0.00 O ATOM 707 CB LYS A 46 9.658 34.844 32.763 1.00 0.00 C ATOM 708 CG LYS A 46 8.607 35.939 32.602 1.00 0.00 C ATOM 709 CD LYS A 46 8.467 36.360 31.142 1.00 0.00 C ATOM 710 CE LYS A 46 9.672 37.177 30.685 1.00 0.00 C ATOM 711 NZ LYS A 46 9.394 37.878 29.400 1.00 0.00 N ATOM 0 H LYS A 46 8.244 34.978 34.771 1.00 0.00 H new ATOM 0 HA LYS A 46 10.851 33.948 34.307 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.453 34.990 32.032 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.209 33.873 32.556 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.647 35.582 32.974 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.882 36.803 33.207 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.365 35.475 30.514 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.557 36.947 31.016 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.931 37.907 31.452 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.534 36.521 30.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.231 38.425 29.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.170 37.178 28.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.586 38.521 29.523 1.00 0.00 H new ATOM 725 N GLY A 47 12.043 35.990 35.332 1.00 0.00 N ATOM 726 CA GLY A 47 12.961 37.089 35.614 1.00 0.00 C ATOM 727 C GLY A 47 14.401 36.592 35.659 1.00 0.00 C ATOM 728 O GLY A 47 15.257 37.201 36.301 1.00 0.00 O ATOM 0 H GLY A 47 12.156 35.180 35.941 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.861 37.858 34.848 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.701 37.551 36.566 1.00 0.00 H new ATOM 732 N GLU A 48 14.663 35.484 34.974 1.00 0.00 N ATOM 733 CA GLU A 48 16.002 34.907 34.937 1.00 0.00 C ATOM 734 C GLU A 48 16.637 35.128 33.571 1.00 0.00 C ATOM 735 O GLU A 48 16.000 35.652 32.657 1.00 0.00 O ATOM 736 CB GLU A 48 15.934 33.413 35.241 1.00 0.00 C ATOM 737 CG GLU A 48 16.607 33.089 36.571 1.00 0.00 C ATOM 738 CD GLU A 48 18.063 32.702 36.346 1.00 0.00 C ATOM 739 OE1 GLU A 48 18.653 33.158 35.344 1.00 0.00 O ATOM 740 OE2 GLU A 48 18.612 31.943 37.173 1.00 0.00 O ATOM 0 H GLU A 48 13.966 34.968 34.437 1.00 0.00 H new ATOM 0 HA GLU A 48 16.615 35.399 35.692 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.893 33.092 35.270 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.418 32.854 34.440 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.551 33.952 37.234 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.079 32.273 37.064 1.00 0.00 H new ATOM 747 N GLY A 49 17.895 34.723 33.437 1.00 0.00 N ATOM 748 CA GLY A 49 18.618 34.875 32.180 1.00 0.00 C ATOM 749 C GLY A 49 17.915 34.115 31.063 1.00 0.00 C ATOM 750 O GLY A 49 17.762 34.625 29.953 1.00 0.00 O ATOM 0 H GLY A 49 18.435 34.287 34.184 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.689 35.931 31.920 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.637 34.506 32.293 1.00 0.00 H new ATOM 754 N GLY A 50 17.488 32.892 31.364 1.00 0.00 N ATOM 755 CA GLY A 50 16.798 32.058 30.386 1.00 0.00 C ATOM 756 C GLY A 50 16.011 30.951 31.077 1.00 0.00 C ATOM 757 O GLY A 50 15.786 29.886 30.502 1.00 0.00 O ATOM 0 H GLY A 50 17.608 32.456 32.278 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.123 32.672 29.790 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.522 31.621 29.699 1.00 0.00 H new ATOM 761 N VAL A 51 15.593 31.209 32.313 1.00 0.00 N ATOM 762 CA VAL A 51 14.827 30.233 33.083 1.00 0.00 C ATOM 763 C VAL A 51 13.769 30.934 33.924 1.00 0.00 C ATOM 764 O VAL A 51 13.592 32.148 33.830 1.00 0.00 O ATOM 765 CB VAL A 51 15.759 29.425 33.982 1.00 0.00 C ATOM 766 CG1 VAL A 51 16.618 28.481 33.144 1.00 0.00 C ATOM 767 CG2 VAL A 51 16.640 30.348 34.819 1.00 0.00 C ATOM 0 H VAL A 51 15.772 32.086 32.803 1.00 0.00 H new ATOM 0 HA VAL A 51 14.329 29.556 32.389 1.00 0.00 H new ATOM 0 HB VAL A 51 15.149 28.830 34.662 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.278 27.911 33.799 1.00 0.00 H new ATOM 0 HG12 VAL A 51 15.974 27.796 32.593 1.00 0.00 H new ATOM 0 HG13 VAL A 51 17.217 29.061 32.441 1.00 0.00 H new ATOM 0 HG21 VAL A 51 17.296 29.750 35.452 1.00 0.00 H new ATOM 0 HG22 VAL A 51 17.243 30.972 34.159 1.00 0.00 H new ATOM 0 HG23 VAL A 51 16.012 30.982 35.445 1.00 0.00 H new ATOM 777 N TRP A 52 13.060 30.161 34.738 1.00 0.00 N ATOM 778 CA TRP A 52 12.009 30.709 35.591 1.00 0.00 C ATOM 779 C TRP A 52 12.435 30.685 37.054 1.00 0.00 C ATOM 780 O TRP A 52 13.075 29.738 37.509 1.00 0.00 O ATOM 781 CB TRP A 52 10.719 29.908 35.420 1.00 0.00 C ATOM 782 CG TRP A 52 10.511 29.416 34.020 1.00 0.00 C ATOM 783 CD1 TRP A 52 10.267 28.128 33.633 1.00 0.00 C ATOM 784 CD2 TRP A 52 10.532 30.205 32.812 1.00 0.00 C ATOM 785 NE1 TRP A 52 10.135 28.093 32.273 1.00 0.00 N ATOM 786 CE2 TRP A 52 10.290 29.335 31.741 1.00 0.00 C ATOM 787 CE3 TRP A 52 10.730 31.559 32.534 1.00 0.00 C ATOM 788 CZ2 TRP A 52 10.242 29.778 30.430 1.00 0.00 C ATOM 789 CZ3 TRP A 52 10.683 32.008 31.222 1.00 0.00 C ATOM 790 CH2 TRP A 52 10.440 31.123 30.179 1.00 0.00 C ATOM 0 H TRP A 52 13.193 29.154 34.826 1.00 0.00 H new ATOM 0 HA TRP A 52 11.834 31.743 35.293 1.00 0.00 H new ATOM 0 HB2 TRP A 52 10.736 29.056 36.099 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.872 30.530 35.709 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.191 27.277 34.294 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.946 27.250 31.731 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.919 32.255 33.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.054 29.088 29.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.837 33.056 31.010 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.405 31.489 29.163 1.00 0.00 H new ATOM 801 N THR A 53 12.066 31.731 37.786 1.00 0.00 N ATOM 802 CA THR A 53 12.397 31.835 39.204 1.00 0.00 C ATOM 803 C THR A 53 11.130 32.072 40.017 1.00 0.00 C ATOM 804 O THR A 53 10.115 32.518 39.481 1.00 0.00 O ATOM 805 CB THR A 53 13.382 32.979 39.430 1.00 0.00 C ATOM 806 OG1 THR A 53 13.422 33.818 38.286 1.00 0.00 O ATOM 807 CG2 THR A 53 14.777 32.443 39.735 1.00 0.00 C ATOM 0 H THR A 53 11.536 32.522 37.420 1.00 0.00 H new ATOM 0 HA THR A 53 12.859 30.902 39.528 1.00 0.00 H new ATOM 0 HB THR A 53 13.043 33.559 40.288 1.00 0.00 H new ATOM 0 HG1 THR A 53 14.055 34.550 38.439 1.00 0.00 H new ATOM 0 HG21 THR A 53 15.461 33.277 39.892 1.00 0.00 H new ATOM 0 HG22 THR A 53 14.742 31.828 40.634 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.126 31.840 38.897 1.00 0.00 H new ATOM 815 N PHE A 54 11.191 31.772 41.310 1.00 0.00 N ATOM 816 CA PHE A 54 10.040 31.953 42.190 1.00 0.00 C ATOM 817 C PHE A 54 10.491 32.405 43.572 1.00 0.00 C ATOM 818 O PHE A 54 11.427 31.846 44.145 1.00 0.00 O ATOM 819 CB PHE A 54 9.259 30.647 42.299 1.00 0.00 C ATOM 820 CG PHE A 54 8.052 30.757 43.196 1.00 0.00 C ATOM 821 CD1 PHE A 54 6.832 31.151 42.672 1.00 0.00 C ATOM 822 CD2 PHE A 54 8.163 30.462 44.545 1.00 0.00 C ATOM 823 CE1 PHE A 54 5.724 31.250 43.497 1.00 0.00 C ATOM 824 CE2 PHE A 54 7.054 30.560 45.369 1.00 0.00 C ATOM 825 CZ PHE A 54 5.835 30.955 44.845 1.00 0.00 C ATOM 0 H PHE A 54 12.022 31.403 41.772 1.00 0.00 H new ATOM 0 HA PHE A 54 9.395 32.722 41.766 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.939 30.337 41.304 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.918 29.866 42.679 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.745 31.381 41.620 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.114 30.156 44.954 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.773 31.558 43.088 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.140 30.328 46.420 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.971 31.033 45.488 1.00 0.00 H new ATOM 835 N ASP A 55 9.819 33.420 44.105 1.00 0.00 N ATOM 836 CA ASP A 55 10.148 33.948 45.424 1.00 0.00 C ATOM 837 C ASP A 55 9.449 33.139 46.508 1.00 0.00 C ATOM 838 O ASP A 55 8.238 32.924 46.452 1.00 0.00 O ATOM 839 CB ASP A 55 9.732 35.413 45.518 1.00 0.00 C ATOM 840 CG ASP A 55 10.640 36.277 44.653 1.00 0.00 C ATOM 841 OD1 ASP A 55 10.885 35.901 43.487 1.00 0.00 O ATOM 842 OD2 ASP A 55 11.106 37.327 45.142 1.00 0.00 O ATOM 0 H ASP A 55 9.043 33.894 43.643 1.00 0.00 H new ATOM 0 HA ASP A 55 11.225 33.873 45.571 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.697 35.525 45.196 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.781 35.746 46.555 1.00 0.00 H new ATOM 847 N SER A 56 10.219 32.689 47.493 1.00 0.00 N ATOM 848 CA SER A 56 9.675 31.898 48.592 1.00 0.00 C ATOM 849 C SER A 56 9.970 32.571 49.927 1.00 0.00 C ATOM 850 O SER A 56 10.936 33.323 50.053 1.00 0.00 O ATOM 851 CB SER A 56 10.277 30.497 48.571 1.00 0.00 C ATOM 852 OG SER A 56 9.260 29.517 48.702 1.00 0.00 O ATOM 0 H SER A 56 11.223 32.859 47.553 1.00 0.00 H new ATOM 0 HA SER A 56 8.594 31.825 48.469 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.821 30.343 47.639 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.998 30.392 49.382 1.00 0.00 H new ATOM 0 HG SER A 56 9.662 28.624 48.685 1.00 0.00 H new ATOM 858 N GLU A 57 9.132 32.296 50.922 1.00 0.00 N ATOM 859 CA GLU A 57 9.302 32.876 52.251 1.00 0.00 C ATOM 860 C GLU A 57 8.508 32.085 53.283 1.00 0.00 C ATOM 861 O GLU A 57 7.745 32.656 54.062 1.00 0.00 O ATOM 862 CB GLU A 57 8.841 34.331 52.247 1.00 0.00 C ATOM 863 CG GLU A 57 7.520 34.492 51.499 1.00 0.00 C ATOM 864 CD GLU A 57 6.497 35.197 52.381 1.00 0.00 C ATOM 865 OE1 GLU A 57 6.292 34.749 53.529 1.00 0.00 O ATOM 866 OE2 GLU A 57 5.903 36.195 51.923 1.00 0.00 O ATOM 0 H GLU A 57 8.328 31.675 50.833 1.00 0.00 H new ATOM 0 HA GLU A 57 10.359 32.835 52.516 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.726 34.681 53.273 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.604 34.955 51.781 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.679 35.065 50.585 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.141 33.514 51.201 1.00 0.00 H new ATOM 873 N GLU A 58 8.691 30.769 53.284 1.00 0.00 N ATOM 874 CA GLU A 58 7.989 29.900 54.222 1.00 0.00 C ATOM 875 C GLU A 58 8.973 28.986 54.945 1.00 0.00 C ATOM 876 O GLU A 58 10.066 28.716 54.446 1.00 0.00 O ATOM 877 CB GLU A 58 6.952 29.062 53.480 1.00 0.00 C ATOM 878 CG GLU A 58 7.610 28.159 52.440 1.00 0.00 C ATOM 879 CD GLU A 58 6.592 27.748 51.384 1.00 0.00 C ATOM 880 OE1 GLU A 58 5.378 27.866 51.650 1.00 0.00 O ATOM 881 OE2 GLU A 58 7.011 27.309 50.293 1.00 0.00 O ATOM 0 H GLU A 58 9.319 30.281 52.646 1.00 0.00 H new ATOM 0 HA GLU A 58 7.485 30.523 54.961 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.395 28.454 54.193 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.233 29.719 52.991 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.443 28.681 51.969 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.021 27.273 52.924 1.00 0.00 H new ATOM 888 N PRO A 59 8.594 28.496 56.138 1.00 0.00 N ATOM 889 CA PRO A 59 9.444 27.603 56.942 1.00 0.00 C ATOM 890 C PRO A 59 9.642 26.245 56.276 1.00 0.00 C ATOM 891 O PRO A 59 10.662 25.586 56.479 1.00 0.00 O ATOM 892 CB PRO A 59 8.677 27.461 58.252 1.00 0.00 C ATOM 893 CG PRO A 59 7.261 27.737 57.900 1.00 0.00 C ATOM 894 CD PRO A 59 7.311 28.764 56.809 1.00 0.00 C ATOM 0 HA PRO A 59 10.450 28.002 57.073 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.792 26.461 58.670 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.042 28.164 59.001 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.757 26.831 57.563 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.707 28.108 58.763 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.471 28.661 56.123 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.272 29.777 57.210 1.00 0.00 H new ATOM 902 N LEU A 60 8.660 25.833 55.479 1.00 0.00 N ATOM 903 CA LEU A 60 8.726 24.553 54.781 1.00 0.00 C ATOM 904 C LEU A 60 9.595 24.675 53.535 1.00 0.00 C ATOM 905 O LEU A 60 9.876 25.779 53.068 1.00 0.00 O ATOM 906 CB LEU A 60 7.323 24.099 54.390 1.00 0.00 C ATOM 907 CG LEU A 60 6.334 24.305 55.533 1.00 0.00 C ATOM 908 CD1 LEU A 60 5.334 25.404 55.184 1.00 0.00 C ATOM 909 CD2 LEU A 60 5.606 23.002 55.853 1.00 0.00 C ATOM 0 H LEU A 60 7.809 26.367 55.301 1.00 0.00 H new ATOM 0 HA LEU A 60 9.168 23.814 55.449 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.990 24.655 53.514 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.344 23.046 54.110 1.00 0.00 H new ATOM 0 HG LEU A 60 6.891 24.614 56.418 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.636 25.537 56.011 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.867 26.338 55.005 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.783 25.123 54.286 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.905 23.168 56.671 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.062 22.663 54.971 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.331 22.243 56.146 1.00 0.00 H new ATOM 921 N GLN A 61 10.018 23.534 53.000 1.00 0.00 N ATOM 922 CA GLN A 61 10.856 23.512 51.806 1.00 0.00 C ATOM 923 C GLN A 61 11.094 22.079 51.348 1.00 0.00 C ATOM 924 O GLN A 61 12.218 21.702 51.013 1.00 0.00 O ATOM 925 CB GLN A 61 12.189 24.195 52.090 1.00 0.00 C ATOM 926 CG GLN A 61 12.818 24.735 50.809 1.00 0.00 C ATOM 927 CD GLN A 61 14.323 24.506 50.823 1.00 0.00 C ATOM 928 OE1 GLN A 61 15.105 25.456 50.866 1.00 0.00 O ATOM 929 NE2 GLN A 61 14.732 23.243 50.789 1.00 0.00 N ATOM 0 H GLN A 61 9.794 22.612 53.375 1.00 0.00 H new ATOM 0 HA GLN A 61 10.341 24.051 51.011 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.039 25.011 52.796 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.870 23.487 52.562 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.376 24.242 49.943 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.606 25.800 50.712 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.049 22.486 50.754 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.729 23.029 50.798 1.00 0.00 H new ATOM 938 N GLY A 62 10.031 21.283 51.334 1.00 0.00 N ATOM 939 CA GLY A 62 10.121 19.888 50.914 1.00 0.00 C ATOM 940 C GLY A 62 10.053 19.786 49.392 1.00 0.00 C ATOM 941 O GLY A 62 10.738 20.525 48.686 1.00 0.00 O ATOM 0 H GLY A 62 9.095 21.580 51.609 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.054 19.453 51.273 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.309 19.314 51.360 1.00 0.00 H new ATOM 945 N PRO A 63 9.220 18.872 48.863 1.00 0.00 N ATOM 946 CA PRO A 63 9.069 18.692 47.413 1.00 0.00 C ATOM 947 C PRO A 63 8.242 19.809 46.787 1.00 0.00 C ATOM 948 O PRO A 63 7.265 20.272 47.374 1.00 0.00 O ATOM 949 CB PRO A 63 8.361 17.351 47.279 1.00 0.00 C ATOM 950 CG PRO A 63 7.627 17.157 48.566 1.00 0.00 C ATOM 951 CD PRO A 63 8.359 17.951 49.624 1.00 0.00 C ATOM 0 HA PRO A 63 10.028 18.719 46.895 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.675 17.352 46.432 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.075 16.545 47.109 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.595 17.497 48.475 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.592 16.101 48.833 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.664 18.495 50.264 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.947 17.301 50.272 1.00 0.00 H new ATOM 959 N PHE A 64 8.642 20.241 45.596 1.00 0.00 N ATOM 960 CA PHE A 64 7.940 21.310 44.893 1.00 0.00 C ATOM 961 C PHE A 64 6.976 20.731 43.867 1.00 0.00 C ATOM 962 O PHE A 64 7.186 19.633 43.352 1.00 0.00 O ATOM 963 CB PHE A 64 8.944 22.224 44.198 1.00 0.00 C ATOM 964 CG PHE A 64 9.666 23.143 45.152 1.00 0.00 C ATOM 965 CD1 PHE A 64 8.963 24.109 45.854 1.00 0.00 C ATOM 966 CD2 PHE A 64 11.035 23.022 45.327 1.00 0.00 C ATOM 967 CE1 PHE A 64 9.628 24.952 46.728 1.00 0.00 C ATOM 968 CE2 PHE A 64 11.700 23.865 46.201 1.00 0.00 C ATOM 969 CZ PHE A 64 10.996 24.830 46.902 1.00 0.00 C ATOM 0 H PHE A 64 9.449 19.867 45.096 1.00 0.00 H new ATOM 0 HA PHE A 64 7.371 21.888 45.622 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.675 21.614 43.667 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.424 22.822 43.450 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.896 24.204 45.719 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.584 22.269 44.781 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.079 25.705 47.274 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.767 23.770 46.336 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.514 25.487 47.584 1.00 0.00 H new ATOM 979 N ASN A 65 5.922 21.481 43.570 1.00 0.00 N ATOM 980 CA ASN A 65 4.923 21.053 42.597 1.00 0.00 C ATOM 981 C ASN A 65 4.764 22.113 41.517 1.00 0.00 C ATOM 982 O ASN A 65 4.526 23.284 41.814 1.00 0.00 O ATOM 983 CB ASN A 65 3.586 20.809 43.291 1.00 0.00 C ATOM 984 CG ASN A 65 3.777 19.913 44.507 1.00 0.00 C ATOM 985 OD1 ASN A 65 3.552 18.704 44.442 1.00 0.00 O ATOM 986 ND2 ASN A 65 4.191 20.506 45.621 1.00 0.00 N ATOM 0 H ASN A 65 5.736 22.392 43.990 1.00 0.00 H new ATOM 0 HA ASN A 65 5.254 20.123 42.135 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.148 21.759 43.596 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.887 20.345 42.595 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.335 19.956 46.468 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.365 21.511 45.629 1.00 0.00 H new ATOM 993 N PHE A 66 4.904 21.700 40.262 1.00 0.00 N ATOM 994 CA PHE A 66 4.784 22.621 39.137 1.00 0.00 C ATOM 995 C PHE A 66 3.450 22.430 38.426 1.00 0.00 C ATOM 996 O PHE A 66 2.627 21.610 38.834 1.00 0.00 O ATOM 997 CB PHE A 66 5.931 22.396 38.157 1.00 0.00 C ATOM 998 CG PHE A 66 7.062 23.377 38.342 1.00 0.00 C ATOM 999 CD1 PHE A 66 6.951 24.666 37.846 1.00 0.00 C ATOM 1000 CD2 PHE A 66 8.214 22.990 39.009 1.00 0.00 C ATOM 1001 CE1 PHE A 66 7.989 25.567 38.017 1.00 0.00 C ATOM 1002 CE2 PHE A 66 9.252 23.891 39.179 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.140 25.179 38.683 1.00 0.00 C ATOM 0 H PHE A 66 5.100 20.735 39.998 1.00 0.00 H new ATOM 0 HA PHE A 66 4.831 23.641 39.518 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.313 21.382 38.279 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.552 22.474 37.138 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.054 24.968 37.326 1.00 0.00 H new ATOM 0 HD2 PHE A 66 8.302 21.986 39.396 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.901 26.572 37.631 1.00 0.00 H new ATOM 0 HE2 PHE A 66 10.149 23.589 39.699 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.950 25.881 38.815 1.00 0.00 H new ATOM 1013 N ARG A 67 3.247 23.195 37.359 1.00 0.00 N ATOM 1014 CA ARG A 67 2.017 23.122 36.578 1.00 0.00 C ATOM 1015 C ARG A 67 2.024 24.191 35.495 1.00 0.00 C ATOM 1016 O ARG A 67 1.379 25.230 35.629 1.00 0.00 O ATOM 1017 CB ARG A 67 0.807 23.309 37.487 1.00 0.00 C ATOM 1018 CG ARG A 67 0.096 21.984 37.736 1.00 0.00 C ATOM 1019 CD ARG A 67 -1.106 21.818 36.811 1.00 0.00 C ATOM 1020 NE ARG A 67 -2.348 21.943 37.567 1.00 0.00 N ATOM 1021 CZ ARG A 67 -3.480 21.389 37.145 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.743 21.321 35.847 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -4.350 20.904 38.021 1.00 0.00 N ATOM 0 H ARG A 67 3.923 23.877 37.013 1.00 0.00 H new ATOM 0 HA ARG A 67 1.956 22.141 36.107 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.125 23.738 38.437 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.114 24.017 37.033 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.793 21.160 37.582 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.232 21.934 38.774 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.074 22.571 36.024 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.066 20.844 36.323 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.347 22.469 38.441 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.076 21.694 35.171 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.612 20.896 35.524 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.151 20.956 39.020 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.218 20.479 37.696 1.00 0.00 H new ATOM 1037 N PHE A 68 2.762 23.932 34.424 1.00 0.00 N ATOM 1038 CA PHE A 68 2.858 24.881 33.318 1.00 0.00 C ATOM 1039 C PHE A 68 1.702 24.706 32.350 1.00 0.00 C ATOM 1040 O PHE A 68 1.016 23.685 32.354 1.00 0.00 O ATOM 1041 CB PHE A 68 4.175 24.707 32.562 1.00 0.00 C ATOM 1042 CG PHE A 68 4.595 23.267 32.405 1.00 0.00 C ATOM 1043 CD1 PHE A 68 3.830 22.404 31.638 1.00 0.00 C ATOM 1044 CD2 PHE A 68 5.745 22.806 33.025 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.214 21.082 31.490 1.00 0.00 C ATOM 1046 CE2 PHE A 68 6.129 21.483 32.877 1.00 0.00 C ATOM 1047 CZ PHE A 68 5.364 20.621 32.109 1.00 0.00 C ATOM 0 H PHE A 68 3.302 23.076 34.296 1.00 0.00 H new ATOM 0 HA PHE A 68 2.819 25.883 33.746 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.080 25.159 31.575 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.960 25.251 33.087 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.933 22.763 31.155 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.342 23.478 33.624 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.617 20.410 30.892 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.025 21.124 33.361 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.664 19.590 31.993 1.00 0.00 H new ATOM 1057 N LEU A 69 1.512 25.711 31.508 1.00 0.00 N ATOM 1058 CA LEU A 69 0.458 25.688 30.502 1.00 0.00 C ATOM 1059 C LEU A 69 1.093 25.544 29.128 1.00 0.00 C ATOM 1060 O LEU A 69 1.009 26.448 28.298 1.00 0.00 O ATOM 1061 CB LEU A 69 -0.371 26.971 30.566 1.00 0.00 C ATOM 1062 CG LEU A 69 -0.604 27.417 32.007 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -1.496 28.655 32.046 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -1.220 26.286 32.825 1.00 0.00 C ATOM 0 H LEU A 69 2.078 26.559 31.501 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.206 24.845 30.692 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.139 27.763 30.017 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.330 26.810 30.074 1.00 0.00 H new ATOM 0 HG LEU A 69 0.359 27.673 32.448 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.652 28.959 33.081 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.017 29.466 31.498 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.458 28.425 31.587 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.379 26.623 33.849 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.175 25.998 32.386 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.547 25.429 32.825 1.00 0.00 H new ATOM 1076 N THR A 70 1.749 24.402 28.914 1.00 0.00 N ATOM 1077 CA THR A 70 2.445 24.098 27.658 1.00 0.00 C ATOM 1078 C THR A 70 1.737 24.697 26.447 1.00 0.00 C ATOM 1079 O THR A 70 0.510 24.667 26.348 1.00 0.00 O ATOM 1080 CB THR A 70 2.559 22.589 27.495 1.00 0.00 C ATOM 1081 OG1 THR A 70 1.456 21.954 28.122 1.00 0.00 O ATOM 1082 CG2 THR A 70 3.865 22.077 28.094 1.00 0.00 C ATOM 0 H THR A 70 1.814 23.658 29.608 1.00 0.00 H new ATOM 0 HA THR A 70 3.437 24.548 27.710 1.00 0.00 H new ATOM 0 HB THR A 70 2.555 22.354 26.431 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.780 21.239 28.708 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.925 20.996 27.966 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.707 22.550 27.588 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.898 22.319 29.156 1.00 0.00 H new ATOM 1090 N GLU A 71 2.528 25.249 25.535 1.00 0.00 N ATOM 1091 CA GLU A 71 2.002 25.872 24.326 1.00 0.00 C ATOM 1092 C GLU A 71 1.001 24.955 23.631 1.00 0.00 C ATOM 1093 O GLU A 71 0.094 25.425 22.944 1.00 0.00 O ATOM 1094 CB GLU A 71 3.146 26.207 23.372 1.00 0.00 C ATOM 1095 CG GLU A 71 4.228 27.037 24.061 1.00 0.00 C ATOM 1096 CD GLU A 71 5.060 27.779 23.023 1.00 0.00 C ATOM 1097 OE1 GLU A 71 4.486 28.601 22.277 1.00 0.00 O ATOM 1098 OE2 GLU A 71 6.283 27.537 22.956 1.00 0.00 O ATOM 0 H GLU A 71 3.545 25.278 25.611 1.00 0.00 H new ATOM 0 HA GLU A 71 1.487 26.790 24.611 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.583 25.285 22.989 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.757 26.756 22.514 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.769 27.749 24.747 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.870 26.389 24.657 1.00 0.00 H new ATOM 1105 N LYS A 72 1.165 23.646 23.807 1.00 0.00 N ATOM 1106 CA LYS A 72 0.266 22.679 23.185 1.00 0.00 C ATOM 1107 C LYS A 72 0.277 21.353 23.940 1.00 0.00 C ATOM 1108 O LYS A 72 0.001 20.301 23.365 1.00 0.00 O ATOM 1109 CB LYS A 72 0.662 22.465 21.725 1.00 0.00 C ATOM 1110 CG LYS A 72 2.150 22.161 21.589 1.00 0.00 C ATOM 1111 CD LYS A 72 2.468 20.776 22.132 1.00 0.00 C ATOM 1112 CE LYS A 72 3.721 20.195 21.483 1.00 0.00 C ATOM 1113 NZ LYS A 72 3.463 18.836 20.929 1.00 0.00 N ATOM 0 H LYS A 72 1.907 23.233 24.372 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.748 23.077 23.225 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.082 21.643 21.306 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.417 23.355 21.146 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.445 22.223 20.541 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.730 22.910 22.128 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.608 20.831 23.212 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.623 20.111 21.954 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.060 20.857 20.686 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.524 20.144 22.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.333 18.467 20.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.162 18.200 21.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.713 18.891 20.210 1.00 0.00 H new ATOM 1127 N GLY A 73 0.587 21.408 25.231 1.00 0.00 N ATOM 1128 CA GLY A 73 0.623 20.204 26.059 1.00 0.00 C ATOM 1129 C GLY A 73 -0.686 20.045 26.821 1.00 0.00 C ATOM 1130 O GLY A 73 -1.176 18.931 27.007 1.00 0.00 O ATOM 0 H GLY A 73 0.816 22.269 25.727 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.795 19.329 25.432 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.455 20.262 26.761 1.00 0.00 H new ATOM 1134 N MET A 74 -1.255 21.173 27.251 1.00 0.00 N ATOM 1135 CA MET A 74 -2.523 21.187 27.989 1.00 0.00 C ATOM 1136 C MET A 74 -2.300 20.894 29.468 1.00 0.00 C ATOM 1137 O MET A 74 -2.676 19.832 29.965 1.00 0.00 O ATOM 1138 CB MET A 74 -3.508 20.173 27.402 1.00 0.00 C ATOM 1139 CG MET A 74 -3.506 20.218 25.876 1.00 0.00 C ATOM 1140 SD MET A 74 -5.101 20.707 25.199 1.00 0.00 S ATOM 1141 CE MET A 74 -4.688 20.890 23.457 1.00 0.00 C ATOM 0 H MET A 74 -0.854 22.098 27.099 1.00 0.00 H new ATOM 0 HA MET A 74 -2.947 22.186 27.892 1.00 0.00 H new ATOM 0 HB2 MET A 74 -3.245 19.170 27.739 1.00 0.00 H new ATOM 0 HB3 MET A 74 -4.512 20.381 27.773 1.00 0.00 H new ATOM 0 HG2 MET A 74 -2.741 20.917 25.537 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.235 19.236 25.487 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.577 21.191 22.902 1.00 0.00 H new ATOM 0 HE2 MET A 74 -3.915 21.650 23.344 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.322 19.940 23.068 1.00 0.00 H new ATOM 1151 N LYS A 75 -1.700 21.852 30.170 1.00 0.00 N ATOM 1152 CA LYS A 75 -1.437 21.716 31.601 1.00 0.00 C ATOM 1153 C LYS A 75 -0.775 20.380 31.915 1.00 0.00 C ATOM 1154 O LYS A 75 -0.513 19.574 31.022 1.00 0.00 O ATOM 1155 CB LYS A 75 -2.744 21.837 32.379 1.00 0.00 C ATOM 1156 CG LYS A 75 -3.090 23.297 32.658 1.00 0.00 C ATOM 1157 CD LYS A 75 -3.714 23.960 31.433 1.00 0.00 C ATOM 1158 CE LYS A 75 -4.644 25.102 31.834 1.00 0.00 C ATOM 1159 NZ LYS A 75 -5.939 24.587 32.362 1.00 0.00 N ATOM 0 H LYS A 75 -1.385 22.735 29.769 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.756 22.513 31.899 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.551 21.372 31.813 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.661 21.294 33.321 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.782 23.355 33.498 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.189 23.838 32.948 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.927 24.341 30.782 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.271 23.219 30.860 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.160 25.719 32.591 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.829 25.742 30.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.598 25.380 32.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.346 23.911 31.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.778 24.110 33.272 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.508 20.156 33.201 1.00 0.00 N ATOM 1174 CA ASN A 76 0.123 18.922 33.667 1.00 0.00 C ATOM 1175 C ASN A 76 0.572 19.084 35.115 1.00 0.00 C ATOM 1176 O ASN A 76 1.258 20.047 35.456 1.00 0.00 O ATOM 1177 CB ASN A 76 1.322 18.573 32.788 1.00 0.00 C ATOM 1178 CG ASN A 76 1.014 17.344 31.943 1.00 0.00 C ATOM 1179 OD1 ASN A 76 1.003 17.410 30.714 1.00 0.00 O ATOM 1180 ND2 ASN A 76 0.762 16.219 32.603 1.00 0.00 N ATOM 0 H ASN A 76 -0.721 20.820 33.945 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.604 18.112 33.605 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.566 19.416 32.142 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.197 18.385 33.411 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.548 15.364 32.090 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.782 16.211 33.623 1.00 0.00 H new ATOM 1187 N VAL A 77 0.179 18.141 35.965 1.00 0.00 N ATOM 1188 CA VAL A 77 0.541 18.187 37.380 1.00 0.00 C ATOM 1189 C VAL A 77 1.786 17.350 37.640 1.00 0.00 C ATOM 1190 O VAL A 77 1.930 16.246 37.113 1.00 0.00 O ATOM 1191 CB VAL A 77 -0.625 17.686 38.233 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -0.226 17.590 39.705 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -1.826 18.609 38.072 1.00 0.00 C ATOM 0 H VAL A 77 -0.389 17.336 35.701 1.00 0.00 H new ATOM 0 HA VAL A 77 0.760 19.220 37.652 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.895 16.687 37.889 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.074 17.231 40.289 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.608 16.896 39.811 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.073 18.574 40.066 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.651 18.243 38.684 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.556 19.616 38.391 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.131 18.630 37.026 1.00 0.00 H new ATOM 1203 N PHE A 78 2.686 17.889 38.455 1.00 0.00 N ATOM 1204 CA PHE A 78 3.924 17.209 38.791 1.00 0.00 C ATOM 1205 C PHE A 78 4.174 17.267 40.294 1.00 0.00 C ATOM 1206 O PHE A 78 3.858 18.261 40.947 1.00 0.00 O ATOM 1207 CB PHE A 78 5.072 17.871 38.046 1.00 0.00 C ATOM 1208 CG PHE A 78 4.906 17.808 36.549 1.00 0.00 C ATOM 1209 CD1 PHE A 78 5.189 16.636 35.867 1.00 0.00 C ATOM 1210 CD2 PHE A 78 4.463 18.921 35.855 1.00 0.00 C ATOM 1211 CE1 PHE A 78 5.028 16.578 34.493 1.00 0.00 C ATOM 1212 CE2 PHE A 78 4.303 18.864 34.481 1.00 0.00 C ATOM 1213 CZ PHE A 78 4.585 17.692 33.800 1.00 0.00 C ATOM 0 H PHE A 78 2.576 18.802 38.896 1.00 0.00 H new ATOM 0 HA PHE A 78 3.850 16.162 38.497 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.148 18.913 38.356 1.00 0.00 H new ATOM 0 HB3 PHE A 78 6.008 17.387 38.325 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.535 15.767 36.407 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.242 19.835 36.386 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.248 15.664 33.962 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.958 19.733 33.941 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.459 17.647 32.728 1.00 0.00 H new ATOM 1223 N ASP A 79 4.746 16.196 40.835 1.00 0.00 N ATOM 1224 CA ASP A 79 5.042 16.123 42.263 1.00 0.00 C ATOM 1225 C ASP A 79 6.460 15.605 42.481 1.00 0.00 C ATOM 1226 O ASP A 79 7.055 15.008 41.584 1.00 0.00 O ATOM 1227 CB ASP A 79 4.040 15.205 42.958 1.00 0.00 C ATOM 1228 CG ASP A 79 2.676 15.879 43.038 1.00 0.00 C ATOM 1229 OD1 ASP A 79 2.056 16.095 41.976 1.00 0.00 O ATOM 1230 OD2 ASP A 79 2.231 16.190 44.163 1.00 0.00 O ATOM 0 H ASP A 79 5.014 15.366 40.306 1.00 0.00 H new ATOM 0 HA ASP A 79 4.963 17.123 42.689 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.958 14.265 42.412 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.393 14.962 43.960 1.00 0.00 H new ATOM 1235 N ASP A 80 6.998 15.840 43.674 1.00 0.00 N ATOM 1236 CA ASP A 80 8.349 15.397 44.003 1.00 0.00 C ATOM 1237 C ASP A 80 9.337 15.911 42.964 1.00 0.00 C ATOM 1238 O ASP A 80 10.352 15.273 42.686 1.00 0.00 O ATOM 1239 CB ASP A 80 8.400 13.873 44.059 1.00 0.00 C ATOM 1240 CG ASP A 80 9.140 13.415 45.309 1.00 0.00 C ATOM 1241 OD1 ASP A 80 10.385 13.508 45.332 1.00 0.00 O ATOM 1242 OD2 ASP A 80 8.473 12.965 46.264 1.00 0.00 O ATOM 0 H ASP A 80 6.520 16.334 44.428 1.00 0.00 H new ATOM 0 HA ASP A 80 8.622 15.798 44.979 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.388 13.468 44.058 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.899 13.486 43.170 1.00 0.00 H new ATOM 1247 N VAL A 81 9.026 17.067 42.389 1.00 0.00 N ATOM 1248 CA VAL A 81 9.877 17.678 41.371 1.00 0.00 C ATOM 1249 C VAL A 81 11.236 18.069 41.949 1.00 0.00 C ATOM 1250 O VAL A 81 12.181 18.322 41.203 1.00 0.00 O ATOM 1251 CB VAL A 81 9.180 18.907 40.794 1.00 0.00 C ATOM 1252 CG1 VAL A 81 10.058 19.584 39.745 1.00 0.00 C ATOM 1253 CG2 VAL A 81 7.834 18.521 40.189 1.00 0.00 C ATOM 0 H VAL A 81 8.187 17.603 42.611 1.00 0.00 H new ATOM 0 HA VAL A 81 10.047 16.948 40.580 1.00 0.00 H new ATOM 0 HB VAL A 81 9.008 19.614 41.606 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.542 20.458 39.347 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.997 19.895 40.202 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.263 18.884 38.935 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.350 19.409 39.782 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.989 17.794 39.392 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.200 18.084 40.961 1.00 0.00 H new ATOM 1263 N VAL A 82 11.335 18.119 43.276 1.00 0.00 N ATOM 1264 CA VAL A 82 12.587 18.482 43.934 1.00 0.00 C ATOM 1265 C VAL A 82 12.736 17.731 45.255 1.00 0.00 C ATOM 1266 O VAL A 82 11.803 17.686 46.057 1.00 0.00 O ATOM 1267 CB VAL A 82 12.623 19.985 44.191 1.00 0.00 C ATOM 1268 CG1 VAL A 82 13.965 20.391 44.792 1.00 0.00 C ATOM 1269 CG2 VAL A 82 12.357 20.758 42.903 1.00 0.00 C ATOM 0 H VAL A 82 10.566 17.913 43.914 1.00 0.00 H new ATOM 0 HA VAL A 82 13.414 18.207 43.279 1.00 0.00 H new ATOM 0 HB VAL A 82 11.837 20.230 44.905 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.974 21.466 44.969 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.115 19.867 45.736 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.767 20.130 44.101 1.00 0.00 H new ATOM 0 HG21 VAL A 82 12.387 21.828 43.108 1.00 0.00 H new ATOM 0 HG22 VAL A 82 13.119 20.508 42.165 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.374 20.491 42.514 1.00 0.00 H new ATOM 1279 N PRO A 83 13.915 17.131 45.503 1.00 0.00 N ATOM 1280 CA PRO A 83 14.177 16.381 46.742 1.00 0.00 C ATOM 1281 C PRO A 83 14.406 17.308 47.930 1.00 0.00 C ATOM 1282 O PRO A 83 14.627 18.507 47.761 1.00 0.00 O ATOM 1283 CB PRO A 83 15.439 15.589 46.433 1.00 0.00 C ATOM 1284 CG PRO A 83 16.140 16.360 45.362 1.00 0.00 C ATOM 1285 CD PRO A 83 15.085 17.132 44.606 1.00 0.00 C ATOM 0 HA PRO A 83 13.332 15.752 47.022 1.00 0.00 H new ATOM 0 HB2 PRO A 83 16.066 15.488 47.319 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.197 14.581 46.097 1.00 0.00 H new ATOM 0 HG2 PRO A 83 16.877 17.037 45.794 1.00 0.00 H new ATOM 0 HG3 PRO A 83 16.678 15.688 44.694 1.00 0.00 H new ATOM 0 HD2 PRO A 83 15.416 18.147 44.387 1.00 0.00 H new ATOM 0 HD3 PRO A 83 14.854 16.659 43.652 1.00 0.00 H new ATOM 1293 N GLU A 84 14.360 16.745 49.134 1.00 0.00 N ATOM 1294 CA GLU A 84 14.571 17.526 50.349 1.00 0.00 C ATOM 1295 C GLU A 84 16.005 18.037 50.397 1.00 0.00 C ATOM 1296 O GLU A 84 16.954 17.263 50.269 1.00 0.00 O ATOM 1297 CB GLU A 84 14.279 16.671 51.579 1.00 0.00 C ATOM 1298 CG GLU A 84 12.965 17.083 52.237 1.00 0.00 C ATOM 1299 CD GLU A 84 13.136 17.169 53.748 1.00 0.00 C ATOM 1300 OE1 GLU A 84 13.154 16.108 54.406 1.00 0.00 O ATOM 1301 OE2 GLU A 84 13.252 18.297 54.271 1.00 0.00 O ATOM 0 H GLU A 84 14.179 15.754 49.294 1.00 0.00 H new ATOM 0 HA GLU A 84 13.892 18.378 50.343 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.232 15.620 51.292 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.094 16.769 52.296 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.641 18.047 51.845 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.186 16.361 51.993 1.00 0.00 H new ATOM 1308 N LYS A 85 16.160 19.345 50.572 1.00 0.00 N ATOM 1309 CA LYS A 85 17.483 19.956 50.624 1.00 0.00 C ATOM 1310 C LYS A 85 18.224 19.702 49.317 1.00 0.00 C ATOM 1311 O LYS A 85 19.367 19.247 49.316 1.00 0.00 O ATOM 1312 CB LYS A 85 18.278 19.386 51.795 1.00 0.00 C ATOM 1313 CG LYS A 85 18.010 20.170 53.077 1.00 0.00 C ATOM 1314 CD LYS A 85 19.176 20.051 54.054 1.00 0.00 C ATOM 1315 CE LYS A 85 19.454 18.593 54.409 1.00 0.00 C ATOM 1316 NZ LYS A 85 20.229 18.481 55.676 1.00 0.00 N ATOM 0 H LYS A 85 15.387 20.002 50.680 1.00 0.00 H new ATOM 0 HA LYS A 85 17.371 21.031 50.765 1.00 0.00 H new ATOM 0 HB2 LYS A 85 18.012 18.339 51.943 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.343 19.415 51.564 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.841 21.219 52.835 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.099 19.801 53.548 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.068 20.497 53.615 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.952 20.612 54.961 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.511 18.055 54.508 1.00 0.00 H new ATOM 0 HE3 LYS A 85 20.008 18.119 53.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.402 17.478 55.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.139 18.974 55.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.689 18.912 56.453 1.00 0.00 H new ATOM 1330 N TYR A 86 17.556 19.994 48.205 1.00 0.00 N ATOM 1331 CA TYR A 86 18.133 19.795 46.878 1.00 0.00 C ATOM 1332 C TYR A 86 19.544 20.365 46.806 1.00 0.00 C ATOM 1333 O TYR A 86 19.921 21.223 47.605 1.00 0.00 O ATOM 1334 CB TYR A 86 17.254 20.466 45.827 1.00 0.00 C ATOM 1335 CG TYR A 86 17.143 21.957 46.023 1.00 0.00 C ATOM 1336 CD1 TYR A 86 18.095 22.801 45.477 1.00 0.00 C ATOM 1337 CD2 TYR A 86 16.090 22.484 46.750 1.00 0.00 C ATOM 1338 CE1 TYR A 86 17.993 24.171 45.658 1.00 0.00 C ATOM 1339 CE2 TYR A 86 15.989 23.854 46.930 1.00 0.00 C ATOM 1340 CZ TYR A 86 16.940 24.690 46.384 1.00 0.00 C ATOM 1341 OH TYR A 86 16.840 26.051 46.564 1.00 0.00 O ATOM 0 H TYR A 86 16.609 20.372 48.196 1.00 0.00 H new ATOM 0 HA TYR A 86 18.184 18.724 46.684 1.00 0.00 H new ATOM 0 HB2 TYR A 86 17.661 20.264 44.836 1.00 0.00 H new ATOM 0 HB3 TYR A 86 16.258 20.025 45.858 1.00 0.00 H new ATOM 0 HD1 TYR A 86 18.918 22.391 44.910 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.347 21.827 47.177 1.00 0.00 H new ATOM 0 HE1 TYR A 86 18.735 24.830 45.232 1.00 0.00 H new ATOM 0 HE2 TYR A 86 15.167 24.266 47.497 1.00 0.00 H new ATOM 0 HH TYR A 86 16.042 26.253 47.096 1.00 0.00 H new ATOM 1351 N THR A 87 20.317 19.882 45.840 1.00 0.00 N ATOM 1352 CA THR A 87 21.689 20.338 45.649 1.00 0.00 C ATOM 1353 C THR A 87 21.875 20.851 44.228 1.00 0.00 C ATOM 1354 O THR A 87 21.884 20.073 43.274 1.00 0.00 O ATOM 1355 CB THR A 87 22.662 19.194 45.919 1.00 0.00 C ATOM 1356 OG1 THR A 87 22.395 18.621 47.190 1.00 0.00 O ATOM 1357 CG2 THR A 87 24.106 19.683 45.858 1.00 0.00 C ATOM 0 H THR A 87 20.015 19.171 45.174 1.00 0.00 H new ATOM 0 HA THR A 87 21.891 21.149 46.349 1.00 0.00 H new ATOM 0 HB THR A 87 22.525 18.436 45.148 1.00 0.00 H new ATOM 0 HG1 THR A 87 23.022 17.886 47.356 1.00 0.00 H new ATOM 0 HG21 THR A 87 24.781 18.850 46.054 1.00 0.00 H new ATOM 0 HG22 THR A 87 24.311 20.091 44.868 1.00 0.00 H new ATOM 0 HG23 THR A 87 24.260 20.458 46.609 1.00 0.00 H new ATOM 1365 N ILE A 88 22.018 22.166 44.090 1.00 0.00 N ATOM 1366 CA ILE A 88 22.200 22.788 42.781 1.00 0.00 C ATOM 1367 C ILE A 88 23.271 22.053 41.981 1.00 0.00 C ATOM 1368 O ILE A 88 24.460 22.148 42.283 1.00 0.00 O ATOM 1369 CB ILE A 88 22.587 24.253 42.950 1.00 0.00 C ATOM 1370 CG1 ILE A 88 21.510 25.001 43.731 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.810 24.910 41.591 1.00 0.00 C ATOM 1372 CD1 ILE A 88 22.037 25.480 45.081 1.00 0.00 C ATOM 0 H ILE A 88 22.011 22.823 44.870 1.00 0.00 H new ATOM 0 HA ILE A 88 21.259 22.728 42.235 1.00 0.00 H new ATOM 0 HB ILE A 88 23.520 24.299 43.512 1.00 0.00 H new ATOM 0 HG12 ILE A 88 21.163 25.855 43.150 1.00 0.00 H new ATOM 0 HG13 ILE A 88 20.650 24.349 43.884 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.085 25.955 41.733 1.00 0.00 H new ATOM 0 HG22 ILE A 88 23.611 24.392 41.064 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.893 24.853 41.004 1.00 0.00 H new ATOM 0 HD11 ILE A 88 21.246 26.009 45.613 1.00 0.00 H new ATOM 0 HD12 ILE A 88 22.360 24.622 45.671 1.00 0.00 H new ATOM 0 HD13 ILE A 88 22.881 26.151 44.925 1.00 0.00 H new ATOM 1384 N GLY A 89 22.836 21.317 40.964 1.00 0.00 N ATOM 1385 CA GLY A 89 23.749 20.556 40.118 1.00 0.00 C ATOM 1386 C GLY A 89 23.236 19.135 39.925 1.00 0.00 C ATOM 1387 O GLY A 89 23.995 18.170 40.021 1.00 0.00 O ATOM 0 H GLY A 89 21.853 21.231 40.705 1.00 0.00 H new ATOM 0 HA2 GLY A 89 23.852 21.047 39.150 1.00 0.00 H new ATOM 0 HA3 GLY A 89 24.740 20.533 40.571 1.00 0.00 H new ATOM 1391 N ALA A 90 21.940 19.015 39.654 1.00 0.00 N ATOM 1392 CA ALA A 90 21.313 17.714 39.449 1.00 0.00 C ATOM 1393 C ALA A 90 19.963 17.884 38.764 1.00 0.00 C ATOM 1394 O ALA A 90 19.348 18.947 38.843 1.00 0.00 O ATOM 1395 CB ALA A 90 21.133 17.005 40.788 1.00 0.00 C ATOM 0 H ALA A 90 21.302 19.806 39.571 1.00 0.00 H new ATOM 0 HA ALA A 90 21.958 17.109 38.811 1.00 0.00 H new ATOM 0 HB1 ALA A 90 20.664 16.034 40.626 1.00 0.00 H new ATOM 0 HB2 ALA A 90 22.106 16.864 41.259 1.00 0.00 H new ATOM 0 HB3 ALA A 90 20.500 17.610 41.438 1.00 0.00 H new ATOM 1401 N THR A 91 19.507 16.834 38.090 1.00 0.00 N ATOM 1402 CA THR A 91 18.229 16.873 37.387 1.00 0.00 C ATOM 1403 C THR A 91 17.169 16.088 38.151 1.00 0.00 C ATOM 1404 O THR A 91 17.130 14.859 38.092 1.00 0.00 O ATOM 1405 CB THR A 91 18.390 16.297 35.983 1.00 0.00 C ATOM 1406 OG1 THR A 91 19.724 16.479 35.535 1.00 0.00 O ATOM 1407 CG2 THR A 91 17.417 16.958 35.011 1.00 0.00 C ATOM 0 H THR A 91 20.003 15.946 38.015 1.00 0.00 H new ATOM 0 HA THR A 91 17.906 17.912 37.316 1.00 0.00 H new ATOM 0 HB THR A 91 18.166 15.231 36.020 1.00 0.00 H new ATOM 0 HG1 THR A 91 19.820 16.105 34.634 1.00 0.00 H new ATOM 0 HG21 THR A 91 17.550 16.532 34.017 1.00 0.00 H new ATOM 0 HG22 THR A 91 16.394 16.785 35.346 1.00 0.00 H new ATOM 0 HG23 THR A 91 17.611 18.030 34.975 1.00 0.00 H new ATOM 1415 N TYR A 92 16.306 16.808 38.861 1.00 0.00 N ATOM 1416 CA TYR A 92 15.235 16.185 39.632 1.00 0.00 C ATOM 1417 C TYR A 92 14.005 16.001 38.754 1.00 0.00 C ATOM 1418 O TYR A 92 14.102 16.016 37.527 1.00 0.00 O ATOM 1419 CB TYR A 92 14.891 17.056 40.836 1.00 0.00 C ATOM 1420 CG TYR A 92 16.110 17.496 41.607 1.00 0.00 C ATOM 1421 CD1 TYR A 92 16.872 16.563 42.288 1.00 0.00 C ATOM 1422 CD2 TYR A 92 16.469 18.833 41.634 1.00 0.00 C ATOM 1423 CE1 TYR A 92 17.992 16.967 42.996 1.00 0.00 C ATOM 1424 CE2 TYR A 92 17.589 19.235 42.342 1.00 0.00 C ATOM 1425 CZ TYR A 92 18.345 18.301 43.019 1.00 0.00 C ATOM 1426 OH TYR A 92 19.457 18.701 43.723 1.00 0.00 O ATOM 0 H TYR A 92 16.328 17.826 38.919 1.00 0.00 H new ATOM 0 HA TYR A 92 15.568 15.209 39.983 1.00 0.00 H new ATOM 0 HB2 TYR A 92 14.344 17.936 40.498 1.00 0.00 H new ATOM 0 HB3 TYR A 92 14.227 16.503 41.500 1.00 0.00 H new ATOM 0 HD1 TYR A 92 16.593 15.520 42.267 1.00 0.00 H new ATOM 0 HD2 TYR A 92 15.875 19.562 41.103 1.00 0.00 H new ATOM 0 HE1 TYR A 92 18.587 16.240 43.529 1.00 0.00 H new ATOM 0 HE2 TYR A 92 17.870 20.278 42.364 1.00 0.00 H new ATOM 0 HH TYR A 92 20.080 19.156 43.119 1.00 0.00 H new ATOM 1436 N ALA A 93 12.846 15.835 39.382 1.00 0.00 N ATOM 1437 CA ALA A 93 11.600 15.657 38.645 1.00 0.00 C ATOM 1438 C ALA A 93 11.609 14.333 37.889 1.00 0.00 C ATOM 1439 O ALA A 93 12.605 13.610 37.899 1.00 0.00 O ATOM 1440 CB ALA A 93 11.413 16.808 37.670 1.00 0.00 C ATOM 0 H ALA A 93 12.743 15.820 40.397 1.00 0.00 H new ATOM 0 HA ALA A 93 10.773 15.645 39.354 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.481 16.672 37.121 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.376 17.748 38.220 1.00 0.00 H new ATOM 0 HB3 ALA A 93 12.247 16.830 36.969 1.00 0.00 H new ATOM 1446 N PRO A 94 10.493 13.998 37.218 1.00 0.00 N ATOM 1447 CA PRO A 94 10.376 12.750 36.450 1.00 0.00 C ATOM 1448 C PRO A 94 11.134 12.818 35.129 1.00 0.00 C ATOM 1449 O PRO A 94 10.478 12.819 34.066 1.00 0.00 O ATOM 1450 CB PRO A 94 8.881 12.605 36.207 1.00 0.00 C ATOM 1451 CG PRO A 94 8.327 13.992 36.280 1.00 0.00 C ATOM 1452 CD PRO A 94 9.258 14.802 37.153 1.00 0.00 C ATOM 0 HA PRO A 94 10.806 11.903 36.984 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.684 12.154 35.234 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.423 11.960 36.956 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.255 14.430 35.285 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.320 13.982 36.697 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.447 15.787 36.726 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.835 14.961 38.145 1.00 0.00 H new TER 1460 PRO A 94