USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 617 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 52 GLN : amide:sc= 0.802 X(o=1.6,f=1.6) USER MOD Set 1.2: A 61 SER OG : rot 8:sc= 0.772 USER MOD Set 2.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 29 MET CE :methyl -174:sc= -1.28 (180deg=-1.46) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= 1.31 (180deg=1.14) USER MOD Single : A 9 CYS SG : rot 180:sc= 0.198 USER MOD Single : A 11 GLN : amide:sc= 0.199 K(o=0.2,f=-6!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.0406 X(o=-0.041,f=-0.14) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -133:sc= -2.86! (180deg=-3.16!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -82:sc= 0.404 USER MOD Single : A 40 TYR OH : rot 165:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= -0.0542 (180deg=-0.356) USER MOD Single : A 54 ASN : amide:sc= -0.416 K(o=-0.42,f=-3.4!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.25) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N PHE A 2 -2.535 4.419 10.714 1.00 1.30 N ATOM 19 CA PHE A 2 -3.007 3.257 9.981 1.00 3.12 C ATOM 20 C PHE A 2 -2.066 2.999 8.817 1.00 21.42 C ATOM 21 O PHE A 2 -1.994 3.795 7.875 1.00 41.03 O ATOM 22 CB PHE A 2 -4.438 3.471 9.481 1.00 42.53 C ATOM 23 CG PHE A 2 -4.998 2.292 8.738 1.00 53.31 C ATOM 24 CD1 PHE A 2 -5.405 1.157 9.419 1.00 42.43 C ATOM 25 CD2 PHE A 2 -5.113 2.314 7.357 1.00 74.55 C ATOM 26 CE1 PHE A 2 -5.916 0.068 8.738 1.00 3.23 C ATOM 27 CE2 PHE A 2 -5.621 1.228 6.670 1.00 34.25 C ATOM 28 CZ PHE A 2 -6.023 0.103 7.362 1.00 23.52 C ATOM 0 HA PHE A 2 -3.018 2.391 10.643 1.00 3.12 H new ATOM 0 HB2 PHE A 2 -5.082 3.693 10.332 1.00 42.53 H new ATOM 0 HB3 PHE A 2 -4.459 4.344 8.829 1.00 42.53 H new ATOM 0 HD1 PHE A 2 -5.322 1.122 10.495 1.00 42.43 H new ATOM 0 HD2 PHE A 2 -4.801 3.192 6.810 1.00 74.55 H new ATOM 0 HE1 PHE A 2 -6.231 -0.810 9.282 1.00 3.23 H new ATOM 0 HE2 PHE A 2 -5.703 1.259 5.594 1.00 34.25 H new ATOM 0 HZ PHE A 2 -6.420 -0.748 6.828 1.00 23.52 H new ATOM 38 N SER A 3 -1.330 1.908 8.896 1.00 74.41 N ATOM 39 CA SER A 3 -0.320 1.604 7.903 1.00 30.22 C ATOM 40 C SER A 3 -0.870 0.657 6.845 1.00 24.35 C ATOM 41 O SER A 3 -1.860 -0.038 7.079 1.00 32.34 O ATOM 42 CB SER A 3 0.892 0.976 8.586 1.00 13.54 C ATOM 43 OG SER A 3 1.259 1.709 9.742 1.00 4.10 O ATOM 0 H SER A 3 -1.413 1.216 9.640 1.00 74.41 H new ATOM 0 HA SER A 3 -0.023 2.530 7.410 1.00 30.22 H new ATOM 0 HB2 SER A 3 0.666 -0.054 8.861 1.00 13.54 H new ATOM 0 HB3 SER A 3 1.730 0.944 7.890 1.00 13.54 H new ATOM 0 HG SER A 3 2.037 1.287 10.164 1.00 4.10 H new ATOM 49 N LEU A 4 -0.225 0.635 5.686 1.00 41.01 N ATOM 50 CA LEU A 4 -0.578 -0.302 4.628 1.00 71.15 C ATOM 51 C LEU A 4 -0.383 -1.721 5.145 1.00 23.34 C ATOM 52 O LEU A 4 -1.168 -2.620 4.868 1.00 14.41 O ATOM 53 CB LEU A 4 0.305 -0.049 3.406 1.00 22.32 C ATOM 54 CG LEU A 4 -0.182 -0.646 2.085 1.00 23.14 C ATOM 55 CD1 LEU A 4 -0.051 -2.157 2.062 1.00 63.25 C ATOM 56 CD2 LEU A 4 -1.616 -0.223 1.809 1.00 33.31 C ATOM 0 H LEU A 4 0.549 1.258 5.454 1.00 41.01 H new ATOM 0 HA LEU A 4 -1.619 -0.167 4.335 1.00 71.15 H new ATOM 0 HB2 LEU A 4 0.410 1.028 3.277 1.00 22.32 H new ATOM 0 HB3 LEU A 4 1.299 -0.444 3.614 1.00 22.32 H new ATOM 0 HG LEU A 4 0.457 -0.257 1.293 1.00 23.14 H new ATOM 0 HD11 LEU A 4 -0.408 -2.539 1.106 1.00 63.25 H new ATOM 0 HD12 LEU A 4 0.995 -2.434 2.195 1.00 63.25 H new ATOM 0 HD13 LEU A 4 -0.645 -2.586 2.869 1.00 63.25 H new ATOM 0 HD21 LEU A 4 -1.948 -0.656 0.865 1.00 33.31 H new ATOM 0 HD22 LEU A 4 -2.260 -0.573 2.615 1.00 33.31 H new ATOM 0 HD23 LEU A 4 -1.669 0.864 1.748 1.00 33.31 H new ATOM 68 N ARG A 5 0.690 -1.882 5.902 1.00 4.30 N ATOM 69 CA ARG A 5 0.981 -3.103 6.653 1.00 31.42 C ATOM 70 C ARG A 5 -0.254 -3.640 7.391 1.00 15.14 C ATOM 71 O ARG A 5 -0.360 -4.839 7.657 1.00 43.21 O ATOM 72 CB ARG A 5 2.071 -2.784 7.676 1.00 42.34 C ATOM 73 CG ARG A 5 2.434 -3.935 8.587 1.00 23.40 C ATOM 74 CD ARG A 5 3.005 -3.421 9.899 1.00 25.45 C ATOM 75 NE ARG A 5 2.052 -2.543 10.587 1.00 14.22 N ATOM 76 CZ ARG A 5 2.382 -1.653 11.521 1.00 32.14 C ATOM 77 NH1 ARG A 5 3.640 -1.519 11.918 1.00 12.11 N ATOM 78 NH2 ARG A 5 1.438 -0.883 12.050 1.00 55.24 N ATOM 0 H ARG A 5 1.399 -1.158 6.017 1.00 4.30 H new ATOM 0 HA ARG A 5 1.302 -3.871 5.949 1.00 31.42 H new ATOM 0 HB2 ARG A 5 2.967 -2.462 7.145 1.00 42.34 H new ATOM 0 HB3 ARG A 5 1.743 -1.943 8.287 1.00 42.34 H new ATOM 0 HG2 ARG A 5 1.551 -4.543 8.782 1.00 23.40 H new ATOM 0 HG3 ARG A 5 3.163 -4.579 8.095 1.00 23.40 H new ATOM 0 HD2 ARG A 5 3.257 -4.263 10.543 1.00 25.45 H new ATOM 0 HD3 ARG A 5 3.930 -2.878 9.707 1.00 25.45 H new ATOM 0 HE ARG A 5 1.067 -2.620 10.332 1.00 14.22 H new ATOM 0 HH11 ARG A 5 4.369 -2.102 11.507 1.00 12.11 H new ATOM 0 HH12 ARG A 5 3.878 -0.833 12.634 1.00 12.11 H new ATOM 0 HH21 ARG A 5 0.471 -0.976 11.740 1.00 55.24 H new ATOM 0 HH22 ARG A 5 1.680 -0.198 12.766 1.00 55.24 H new ATOM 92 N ASP A 6 -1.178 -2.749 7.723 1.00 4.41 N ATOM 93 CA ASP A 6 -2.339 -3.108 8.523 1.00 44.51 C ATOM 94 C ASP A 6 -3.578 -3.314 7.660 1.00 23.21 C ATOM 95 O ASP A 6 -4.651 -3.631 8.172 1.00 22.41 O ATOM 96 CB ASP A 6 -2.608 -2.031 9.573 1.00 34.30 C ATOM 97 CG ASP A 6 -1.468 -1.897 10.562 1.00 21.04 C ATOM 98 OD1 ASP A 6 -0.873 -0.805 10.656 1.00 53.44 O ATOM 99 OD2 ASP A 6 -1.141 -2.898 11.236 1.00 73.13 O ATOM 0 H ASP A 6 -1.145 -1.767 7.449 1.00 4.41 H new ATOM 0 HA ASP A 6 -2.118 -4.053 9.019 1.00 44.51 H new ATOM 0 HB2 ASP A 6 -2.770 -1.074 9.076 1.00 34.30 H new ATOM 0 HB3 ASP A 6 -3.526 -2.271 10.110 1.00 34.30 H new ATOM 105 N ALA A 7 -3.433 -3.133 6.355 1.00 55.54 N ATOM 106 CA ALA A 7 -4.537 -3.367 5.431 1.00 74.24 C ATOM 107 C ALA A 7 -4.778 -4.862 5.246 1.00 33.33 C ATOM 108 O ALA A 7 -3.860 -5.673 5.380 1.00 15.25 O ATOM 109 CB ALA A 7 -4.257 -2.699 4.095 1.00 62.25 C ATOM 0 H ALA A 7 -2.567 -2.826 5.912 1.00 55.54 H new ATOM 0 HA ALA A 7 -5.441 -2.929 5.854 1.00 74.24 H new ATOM 0 HB1 ALA A 7 -5.089 -2.882 3.415 1.00 62.25 H new ATOM 0 HB2 ALA A 7 -4.138 -1.626 4.243 1.00 62.25 H new ATOM 0 HB3 ALA A 7 -3.342 -3.110 3.667 1.00 62.25 H new ATOM 115 N LYS A 8 -6.021 -5.226 4.961 1.00 23.02 N ATOM 116 CA LYS A 8 -6.382 -6.624 4.778 1.00 23.42 C ATOM 117 C LYS A 8 -6.459 -6.987 3.302 1.00 11.14 C ATOM 118 O LYS A 8 -6.543 -6.113 2.441 1.00 60.11 O ATOM 119 CB LYS A 8 -7.710 -6.939 5.472 1.00 14.51 C ATOM 120 CG LYS A 8 -7.548 -7.501 6.881 1.00 41.31 C ATOM 121 CD LYS A 8 -6.854 -6.527 7.821 1.00 64.05 C ATOM 122 CE LYS A 8 -7.716 -5.309 8.111 1.00 62.02 C ATOM 123 NZ LYS A 8 -7.067 -4.394 9.085 1.00 24.04 N ATOM 0 H LYS A 8 -6.796 -4.572 4.852 1.00 23.02 H new ATOM 0 HA LYS A 8 -5.598 -7.228 5.235 1.00 23.42 H new ATOM 0 HB2 LYS A 8 -8.309 -6.030 5.520 1.00 14.51 H new ATOM 0 HB3 LYS A 8 -8.265 -7.655 4.866 1.00 14.51 H new ATOM 0 HG2 LYS A 8 -8.529 -7.752 7.283 1.00 41.31 H new ATOM 0 HG3 LYS A 8 -6.975 -8.427 6.835 1.00 41.31 H new ATOM 0 HD2 LYS A 8 -6.614 -7.033 8.756 1.00 64.05 H new ATOM 0 HD3 LYS A 8 -5.910 -6.207 7.380 1.00 64.05 H new ATOM 0 HE2 LYS A 8 -7.911 -4.772 7.183 1.00 62.02 H new ATOM 0 HE3 LYS A 8 -8.681 -5.631 8.502 1.00 62.02 H new ATOM 0 HZ1 LYS A 8 -7.766 -3.710 9.438 1.00 24.04 H new ATOM 0 HZ2 LYS A 8 -6.690 -4.946 9.882 1.00 24.04 H new ATOM 0 HZ3 LYS A 8 -6.289 -3.885 8.618 1.00 24.04 H new ATOM 137 N CYS A 9 -6.477 -8.288 3.029 1.00 13.52 N ATOM 138 CA CYS A 9 -6.404 -8.816 1.668 1.00 72.23 C ATOM 139 C CYS A 9 -7.745 -8.730 0.932 1.00 33.24 C ATOM 140 O CYS A 9 -8.013 -9.498 0.008 1.00 42.42 O ATOM 141 CB CYS A 9 -5.928 -10.266 1.727 1.00 64.01 C ATOM 142 SG CYS A 9 -6.768 -11.261 2.981 1.00 53.42 S ATOM 0 H CYS A 9 -6.543 -9.009 3.747 1.00 13.52 H new ATOM 0 HA CYS A 9 -5.699 -8.204 1.105 1.00 72.23 H new ATOM 0 HB2 CYS A 9 -6.077 -10.727 0.751 1.00 64.01 H new ATOM 0 HB3 CYS A 9 -4.856 -10.279 1.925 1.00 64.01 H new ATOM 0 HG CYS A 9 -6.302 -12.474 2.956 1.00 53.42 H new ATOM 148 N GLY A 10 -8.567 -7.776 1.329 1.00 31.23 N ATOM 149 CA GLY A 10 -9.851 -7.584 0.686 1.00 44.53 C ATOM 150 C GLY A 10 -10.302 -6.145 0.760 1.00 4.33 C ATOM 151 O GLY A 10 -11.482 -5.839 0.598 1.00 5.32 O ATOM 0 H GLY A 10 -8.369 -7.126 2.090 1.00 31.23 H new ATOM 0 HA2 GLY A 10 -9.785 -7.892 -0.358 1.00 44.53 H new ATOM 0 HA3 GLY A 10 -10.595 -8.224 1.161 1.00 44.53 H new ATOM 155 N GLN A 11 -9.351 -5.257 1.001 1.00 1.05 N ATOM 156 CA GLN A 11 -9.649 -3.845 1.168 1.00 11.41 C ATOM 157 C GLN A 11 -9.016 -3.021 0.056 1.00 74.11 C ATOM 158 O GLN A 11 -7.910 -3.325 -0.403 1.00 11.34 O ATOM 159 CB GLN A 11 -9.141 -3.354 2.526 1.00 33.23 C ATOM 160 CG GLN A 11 -9.861 -3.970 3.716 1.00 14.12 C ATOM 161 CD GLN A 11 -9.246 -3.564 5.043 1.00 52.25 C ATOM 162 OE1 GLN A 11 -8.040 -3.345 5.143 1.00 3.04 O ATOM 163 NE2 GLN A 11 -10.072 -3.450 6.070 1.00 42.43 N ATOM 0 H GLN A 11 -8.362 -5.491 1.086 1.00 1.05 H new ATOM 0 HA GLN A 11 -10.731 -3.720 1.121 1.00 11.41 H new ATOM 0 HB2 GLN A 11 -8.076 -3.574 2.605 1.00 33.23 H new ATOM 0 HB3 GLN A 11 -9.247 -2.270 2.572 1.00 33.23 H new ATOM 0 HG2 GLN A 11 -10.909 -3.669 3.698 1.00 14.12 H new ATOM 0 HG3 GLN A 11 -9.840 -5.056 3.627 1.00 14.12 H new ATOM 0 HE21 GLN A 11 -11.067 -3.640 5.948 1.00 42.43 H new ATOM 0 HE22 GLN A 11 -9.714 -3.172 6.984 1.00 42.43 H new ATOM 172 N THR A 12 -9.724 -1.990 -0.383 1.00 31.21 N ATOM 173 CA THR A 12 -9.168 -1.035 -1.325 1.00 53.54 C ATOM 174 C THR A 12 -8.474 0.088 -0.560 1.00 51.44 C ATOM 175 O THR A 12 -9.103 0.801 0.226 1.00 12.12 O ATOM 176 CB THR A 12 -10.254 -0.443 -2.249 1.00 1.33 C ATOM 177 OG1 THR A 12 -10.914 -1.494 -2.967 1.00 23.12 O ATOM 178 CG2 THR A 12 -9.653 0.541 -3.246 1.00 33.04 C ATOM 0 H THR A 12 -10.685 -1.795 -0.101 1.00 31.21 H new ATOM 0 HA THR A 12 -8.449 -1.561 -1.953 1.00 53.54 H new ATOM 0 HB THR A 12 -10.971 0.087 -1.623 1.00 1.33 H new ATOM 0 HG1 THR A 12 -11.602 -1.110 -3.549 1.00 23.12 H new ATOM 0 HG21 THR A 12 -10.442 0.941 -3.883 1.00 33.04 H new ATOM 0 HG22 THR A 12 -9.173 1.358 -2.707 1.00 33.04 H new ATOM 0 HG23 THR A 12 -8.914 0.029 -3.862 1.00 33.04 H new ATOM 186 N VAL A 13 -7.180 0.227 -0.775 1.00 13.42 N ATOM 187 CA VAL A 13 -6.398 1.221 -0.064 1.00 32.43 C ATOM 188 C VAL A 13 -5.880 2.280 -1.022 1.00 41.12 C ATOM 189 O VAL A 13 -5.670 2.018 -2.205 1.00 54.11 O ATOM 190 CB VAL A 13 -5.212 0.586 0.693 1.00 45.34 C ATOM 191 CG1 VAL A 13 -5.711 -0.348 1.784 1.00 41.53 C ATOM 192 CG2 VAL A 13 -4.294 -0.154 -0.268 1.00 32.34 C ATOM 0 H VAL A 13 -6.647 -0.337 -1.437 1.00 13.42 H new ATOM 0 HA VAL A 13 -7.060 1.684 0.668 1.00 32.43 H new ATOM 0 HB VAL A 13 -4.640 1.386 1.163 1.00 45.34 H new ATOM 0 HG11 VAL A 13 -4.860 -0.785 2.306 1.00 41.53 H new ATOM 0 HG12 VAL A 13 -6.321 0.213 2.492 1.00 41.53 H new ATOM 0 HG13 VAL A 13 -6.310 -1.142 1.338 1.00 41.53 H new ATOM 0 HG21 VAL A 13 -3.465 -0.594 0.287 1.00 32.34 H new ATOM 0 HG22 VAL A 13 -4.853 -0.943 -0.771 1.00 32.34 H new ATOM 0 HG23 VAL A 13 -3.905 0.544 -1.009 1.00 32.34 H new ATOM 202 N LYS A 14 -5.704 3.479 -0.512 1.00 53.32 N ATOM 203 CA LYS A 14 -5.227 4.587 -1.304 1.00 3.34 C ATOM 204 C LYS A 14 -4.051 5.249 -0.601 1.00 32.14 C ATOM 205 O LYS A 14 -4.186 5.727 0.525 1.00 14.10 O ATOM 206 CB LYS A 14 -6.378 5.565 -1.497 1.00 32.40 C ATOM 207 CG LYS A 14 -6.041 6.796 -2.308 1.00 53.13 C ATOM 208 CD LYS A 14 -7.268 7.678 -2.440 1.00 34.32 C ATOM 209 CE LYS A 14 -7.811 8.071 -1.075 1.00 32.33 C ATOM 210 NZ LYS A 14 -9.211 8.569 -1.143 1.00 73.02 N ATOM 0 H LYS A 14 -5.888 3.712 0.464 1.00 53.32 H new ATOM 0 HA LYS A 14 -4.881 4.245 -2.280 1.00 3.34 H new ATOM 0 HB2 LYS A 14 -7.202 5.042 -1.983 1.00 32.40 H new ATOM 0 HB3 LYS A 14 -6.735 5.881 -0.517 1.00 32.40 H new ATOM 0 HG2 LYS A 14 -5.234 7.349 -1.827 1.00 53.13 H new ATOM 0 HG3 LYS A 14 -5.683 6.505 -3.296 1.00 53.13 H new ATOM 0 HD2 LYS A 14 -7.016 8.575 -3.006 1.00 34.32 H new ATOM 0 HD3 LYS A 14 -8.039 7.152 -3.003 1.00 34.32 H new ATOM 0 HE2 LYS A 14 -7.767 7.210 -0.408 1.00 32.33 H new ATOM 0 HE3 LYS A 14 -7.174 8.843 -0.642 1.00 32.33 H new ATOM 0 HZ1 LYS A 14 -9.536 8.824 -0.188 1.00 73.02 H new ATOM 0 HZ2 LYS A 14 -9.252 9.407 -1.758 1.00 73.02 H new ATOM 0 HZ3 LYS A 14 -9.826 7.825 -1.530 1.00 73.02 H new ATOM 224 N VAL A 15 -2.901 5.257 -1.253 1.00 42.00 N ATOM 225 CA VAL A 15 -1.694 5.812 -0.662 1.00 12.25 C ATOM 226 C VAL A 15 -1.782 7.325 -0.644 1.00 3.32 C ATOM 227 O VAL A 15 -2.078 7.941 -1.663 1.00 4.14 O ATOM 228 CB VAL A 15 -0.426 5.389 -1.435 1.00 53.31 C ATOM 229 CG1 VAL A 15 0.812 6.056 -0.855 1.00 62.11 C ATOM 230 CG2 VAL A 15 -0.275 3.878 -1.422 1.00 21.41 C ATOM 0 H VAL A 15 -2.777 4.885 -2.194 1.00 42.00 H new ATOM 0 HA VAL A 15 -1.618 5.423 0.354 1.00 12.25 H new ATOM 0 HB VAL A 15 -0.533 5.717 -2.469 1.00 53.31 H new ATOM 0 HG11 VAL A 15 1.692 5.742 -1.417 1.00 62.11 H new ATOM 0 HG12 VAL A 15 0.707 7.139 -0.921 1.00 62.11 H new ATOM 0 HG13 VAL A 15 0.926 5.766 0.189 1.00 62.11 H new ATOM 0 HG21 VAL A 15 0.624 3.597 -1.971 1.00 21.41 H new ATOM 0 HG22 VAL A 15 -0.195 3.529 -0.392 1.00 21.41 H new ATOM 0 HG23 VAL A 15 -1.145 3.421 -1.893 1.00 21.41 H new ATOM 240 N VAL A 16 -1.542 7.921 0.510 1.00 41.05 N ATOM 241 CA VAL A 16 -1.626 9.370 0.622 1.00 42.51 C ATOM 242 C VAL A 16 -0.275 10.001 0.927 1.00 74.23 C ATOM 243 O VAL A 16 0.066 11.042 0.368 1.00 55.02 O ATOM 244 CB VAL A 16 -2.673 9.817 1.669 1.00 63.25 C ATOM 245 CG1 VAL A 16 -4.080 9.573 1.146 1.00 21.20 C ATOM 246 CG2 VAL A 16 -2.480 9.104 2.998 1.00 23.04 C ATOM 0 H VAL A 16 -1.291 7.436 1.371 1.00 41.05 H new ATOM 0 HA VAL A 16 -1.954 9.726 -0.355 1.00 42.51 H new ATOM 0 HB VAL A 16 -2.532 10.884 1.840 1.00 63.25 H new ATOM 0 HG11 VAL A 16 -4.806 9.892 1.893 1.00 21.20 H new ATOM 0 HG12 VAL A 16 -4.230 10.141 0.228 1.00 21.20 H new ATOM 0 HG13 VAL A 16 -4.213 8.511 0.941 1.00 21.20 H new ATOM 0 HG21 VAL A 16 -3.235 9.445 3.707 1.00 23.04 H new ATOM 0 HG22 VAL A 16 -2.579 8.028 2.852 1.00 23.04 H new ATOM 0 HG23 VAL A 16 -1.487 9.327 3.390 1.00 23.04 H new ATOM 256 N LYS A 17 0.502 9.373 1.791 1.00 65.31 N ATOM 257 CA LYS A 17 1.817 9.891 2.130 1.00 44.41 C ATOM 258 C LYS A 17 2.821 8.753 2.264 1.00 62.15 C ATOM 259 O LYS A 17 2.456 7.636 2.605 1.00 74.31 O ATOM 260 CB LYS A 17 1.748 10.705 3.427 1.00 71.33 C ATOM 261 CG LYS A 17 3.058 11.390 3.796 1.00 2.32 C ATOM 262 CD LYS A 17 2.831 12.775 4.389 1.00 63.51 C ATOM 263 CE LYS A 17 1.791 12.761 5.496 1.00 71.32 C ATOM 264 NZ LYS A 17 1.587 14.109 6.089 1.00 53.12 N ATOM 0 H LYS A 17 0.248 8.508 2.269 1.00 65.31 H new ATOM 0 HA LYS A 17 2.150 10.547 1.326 1.00 44.41 H new ATOM 0 HB2 LYS A 17 0.969 11.461 3.329 1.00 71.33 H new ATOM 0 HB3 LYS A 17 1.452 10.046 4.243 1.00 71.33 H new ATOM 0 HG2 LYS A 17 3.600 10.773 4.513 1.00 2.32 H new ATOM 0 HG3 LYS A 17 3.686 11.474 2.909 1.00 2.32 H new ATOM 0 HD2 LYS A 17 3.772 13.159 4.782 1.00 63.51 H new ATOM 0 HD3 LYS A 17 2.512 13.458 3.602 1.00 63.51 H new ATOM 0 HE2 LYS A 17 0.845 12.393 5.099 1.00 71.32 H new ATOM 0 HE3 LYS A 17 2.102 12.066 6.276 1.00 71.32 H new ATOM 0 HZ1 LYS A 17 0.870 14.053 6.840 1.00 53.12 H new ATOM 0 HZ2 LYS A 17 2.483 14.451 6.491 1.00 53.12 H new ATOM 0 HZ3 LYS A 17 1.265 14.768 5.351 1.00 53.12 H new ATOM 278 N LEU A 18 4.080 9.039 1.999 1.00 51.25 N ATOM 279 CA LEU A 18 5.117 8.029 2.085 1.00 54.32 C ATOM 280 C LEU A 18 6.206 8.479 3.042 1.00 54.32 C ATOM 281 O LEU A 18 6.891 9.470 2.786 1.00 51.12 O ATOM 282 CB LEU A 18 5.710 7.767 0.705 1.00 43.21 C ATOM 283 CG LEU A 18 4.734 7.190 -0.320 1.00 15.33 C ATOM 284 CD1 LEU A 18 5.382 7.149 -1.688 1.00 63.35 C ATOM 285 CD2 LEU A 18 4.299 5.795 0.090 1.00 23.23 C ATOM 0 H LEU A 18 4.410 9.963 1.722 1.00 51.25 H new ATOM 0 HA LEU A 18 4.677 7.105 2.461 1.00 54.32 H new ATOM 0 HB2 LEU A 18 6.111 8.703 0.315 1.00 43.21 H new ATOM 0 HB3 LEU A 18 6.549 7.080 0.812 1.00 43.21 H new ATOM 0 HG LEU A 18 3.854 7.832 -0.362 1.00 15.33 H new ATOM 0 HD11 LEU A 18 4.679 6.736 -2.411 1.00 63.35 H new ATOM 0 HD12 LEU A 18 5.661 8.159 -1.989 1.00 63.35 H new ATOM 0 HD13 LEU A 18 6.273 6.522 -1.650 1.00 63.35 H new ATOM 0 HD21 LEU A 18 3.604 5.398 -0.650 1.00 23.23 H new ATOM 0 HD22 LEU A 18 5.172 5.145 0.153 1.00 23.23 H new ATOM 0 HD23 LEU A 18 3.808 5.838 1.062 1.00 23.23 H new ATOM 297 N HIS A 19 6.354 7.764 4.145 1.00 21.22 N ATOM 298 CA HIS A 19 7.365 8.101 5.135 1.00 32.12 C ATOM 299 C HIS A 19 8.665 7.393 4.793 1.00 13.31 C ATOM 300 O HIS A 19 8.690 6.508 3.939 1.00 62.11 O ATOM 301 CB HIS A 19 6.920 7.697 6.550 1.00 71.44 C ATOM 302 CG HIS A 19 5.572 8.212 6.950 1.00 64.24 C ATOM 303 ND1 HIS A 19 4.707 7.499 7.747 1.00 43.02 N ATOM 304 CD2 HIS A 19 4.940 9.373 6.662 1.00 61.32 C ATOM 305 CE1 HIS A 19 3.606 8.196 7.932 1.00 31.54 C ATOM 306 NE2 HIS A 19 3.718 9.341 7.287 1.00 42.43 N ATOM 0 H HIS A 19 5.788 6.948 4.378 1.00 21.22 H new ATOM 0 HA HIS A 19 7.510 9.181 5.118 1.00 32.12 H new ATOM 0 HB2 HIS A 19 6.914 6.609 6.618 1.00 71.44 H new ATOM 0 HB3 HIS A 19 7.659 8.057 7.266 1.00 71.44 H new ATOM 0 HD2 HIS A 19 5.326 10.177 6.053 1.00 61.32 H new ATOM 0 HE1 HIS A 19 2.753 7.882 8.515 1.00 31.54 H new ATOM 0 HE2 HIS A 19 3.015 10.079 7.257 1.00 42.43 H new ATOM 315 N GLY A 20 9.741 7.785 5.449 1.00 53.44 N ATOM 316 CA GLY A 20 11.004 7.113 5.252 1.00 31.55 C ATOM 317 C GLY A 20 12.155 8.076 5.078 1.00 14.12 C ATOM 318 O GLY A 20 11.976 9.293 5.134 1.00 23.24 O ATOM 0 H GLY A 20 9.763 8.557 6.115 1.00 53.44 H new ATOM 0 HA2 GLY A 20 11.203 6.465 6.106 1.00 31.55 H new ATOM 0 HA3 GLY A 20 10.936 6.471 4.374 1.00 31.55 H new ATOM 322 N THR A 21 13.338 7.527 4.848 1.00 41.34 N ATOM 323 CA THR A 21 14.547 8.326 4.704 1.00 71.50 C ATOM 324 C THR A 21 14.759 8.740 3.244 1.00 11.14 C ATOM 325 O THR A 21 15.887 8.900 2.779 1.00 34.43 O ATOM 326 CB THR A 21 15.767 7.533 5.217 1.00 23.42 C ATOM 327 OG1 THR A 21 15.395 6.793 6.389 1.00 52.15 O ATOM 328 CG2 THR A 21 16.923 8.464 5.563 1.00 73.24 C ATOM 0 H THR A 21 13.488 6.522 4.756 1.00 41.34 H new ATOM 0 HA THR A 21 14.434 9.232 5.300 1.00 71.50 H new ATOM 0 HB THR A 21 16.091 6.856 4.427 1.00 23.42 H new ATOM 0 HG1 THR A 21 16.168 6.287 6.716 1.00 52.15 H new ATOM 0 HG21 THR A 21 17.768 7.877 5.922 1.00 73.24 H new ATOM 0 HG22 THR A 21 17.219 9.022 4.675 1.00 73.24 H new ATOM 0 HG23 THR A 21 16.609 9.160 6.341 1.00 73.24 H new ATOM 336 N GLY A 22 13.658 8.913 2.528 1.00 23.34 N ATOM 337 CA GLY A 22 13.715 9.392 1.159 1.00 72.10 C ATOM 338 C GLY A 22 14.078 8.314 0.155 1.00 2.04 C ATOM 339 O GLY A 22 13.301 8.025 -0.758 1.00 74.40 O ATOM 0 H GLY A 22 12.716 8.729 2.874 1.00 23.34 H new ATOM 0 HA2 GLY A 22 12.748 9.817 0.890 1.00 72.10 H new ATOM 0 HA3 GLY A 22 14.446 10.198 1.095 1.00 72.10 H new ATOM 343 N ALA A 23 15.247 7.712 0.321 1.00 35.12 N ATOM 344 CA ALA A 23 15.716 6.679 -0.597 1.00 4.33 C ATOM 345 C ALA A 23 14.722 5.524 -0.680 1.00 62.01 C ATOM 346 O ALA A 23 14.484 4.969 -1.752 1.00 20.32 O ATOM 347 CB ALA A 23 17.085 6.172 -0.162 1.00 0.41 C ATOM 0 H ALA A 23 15.891 7.920 1.084 1.00 35.12 H new ATOM 0 HA ALA A 23 15.801 7.120 -1.590 1.00 4.33 H new ATOM 0 HB1 ALA A 23 17.425 5.402 -0.854 1.00 0.41 H new ATOM 0 HB2 ALA A 23 17.796 6.998 -0.162 1.00 0.41 H new ATOM 0 HB3 ALA A 23 17.016 5.753 0.842 1.00 0.41 H new ATOM 353 N LEU A 24 14.131 5.180 0.457 1.00 64.01 N ATOM 354 CA LEU A 24 13.165 4.090 0.514 1.00 52.43 C ATOM 355 C LEU A 24 11.824 4.532 -0.078 1.00 73.12 C ATOM 356 O LEU A 24 11.235 3.823 -0.889 1.00 25.22 O ATOM 357 CB LEU A 24 12.995 3.619 1.965 1.00 53.12 C ATOM 358 CG LEU A 24 12.399 2.213 2.162 1.00 43.35 C ATOM 359 CD1 LEU A 24 10.910 2.185 1.856 1.00 11.10 C ATOM 360 CD2 LEU A 24 13.132 1.197 1.298 1.00 61.35 C ATOM 0 H LEU A 24 14.303 5.639 1.351 1.00 64.01 H new ATOM 0 HA LEU A 24 13.536 3.255 -0.081 1.00 52.43 H new ATOM 0 HB2 LEU A 24 13.971 3.648 2.450 1.00 53.12 H new ATOM 0 HB3 LEU A 24 12.359 4.336 2.485 1.00 53.12 H new ATOM 0 HG LEU A 24 12.528 1.947 3.211 1.00 43.35 H new ATOM 0 HD11 LEU A 24 10.527 1.176 2.007 1.00 11.10 H new ATOM 0 HD12 LEU A 24 10.389 2.874 2.521 1.00 11.10 H new ATOM 0 HD13 LEU A 24 10.746 2.485 0.821 1.00 11.10 H new ATOM 0 HD21 LEU A 24 12.697 0.209 1.450 1.00 61.35 H new ATOM 0 HD22 LEU A 24 13.039 1.477 0.249 1.00 61.35 H new ATOM 0 HD23 LEU A 24 14.186 1.176 1.575 1.00 61.35 H new ATOM 372 N LYS A 25 11.359 5.717 0.313 1.00 10.34 N ATOM 373 CA LYS A 25 10.053 6.204 -0.127 1.00 74.02 C ATOM 374 C LYS A 25 10.036 6.489 -1.626 1.00 64.43 C ATOM 375 O LYS A 25 9.003 6.348 -2.280 1.00 15.23 O ATOM 376 CB LYS A 25 9.620 7.433 0.693 1.00 63.41 C ATOM 377 CG LYS A 25 10.647 8.547 0.810 1.00 71.42 C ATOM 378 CD LYS A 25 10.522 9.592 -0.288 1.00 73.35 C ATOM 379 CE LYS A 25 9.159 10.266 -0.277 1.00 31.35 C ATOM 380 NZ LYS A 25 9.137 11.483 -1.125 1.00 72.12 N ATOM 0 H LYS A 25 11.863 6.354 0.930 1.00 10.34 H new ATOM 0 HA LYS A 25 9.324 5.414 0.053 1.00 74.02 H new ATOM 0 HB2 LYS A 25 8.715 7.844 0.245 1.00 63.41 H new ATOM 0 HB3 LYS A 25 9.356 7.101 1.697 1.00 63.41 H new ATOM 0 HG2 LYS A 25 10.538 9.033 1.780 1.00 71.42 H new ATOM 0 HG3 LYS A 25 11.647 8.115 0.780 1.00 71.42 H new ATOM 0 HD2 LYS A 25 11.300 10.345 -0.163 1.00 73.35 H new ATOM 0 HD3 LYS A 25 10.687 9.122 -1.257 1.00 73.35 H new ATOM 0 HE2 LYS A 25 8.404 9.564 -0.630 1.00 31.35 H new ATOM 0 HE3 LYS A 25 8.894 10.532 0.746 1.00 31.35 H new ATOM 0 HZ1 LYS A 25 8.191 11.913 -1.091 1.00 72.12 H new ATOM 0 HZ2 LYS A 25 9.840 12.164 -0.773 1.00 72.12 H new ATOM 0 HZ3 LYS A 25 9.365 11.226 -2.107 1.00 72.12 H new ATOM 394 N ARG A 26 11.183 6.873 -2.169 1.00 64.13 N ATOM 395 CA ARG A 26 11.305 7.049 -3.611 1.00 5.42 C ATOM 396 C ARG A 26 11.321 5.691 -4.305 1.00 75.22 C ATOM 397 O ARG A 26 10.737 5.522 -5.375 1.00 2.51 O ATOM 398 CB ARG A 26 12.567 7.826 -3.988 1.00 33.31 C ATOM 399 CG ARG A 26 12.589 8.203 -5.458 1.00 4.11 C ATOM 400 CD ARG A 26 13.969 8.622 -5.932 1.00 35.24 C ATOM 401 NE ARG A 26 13.948 8.992 -7.344 1.00 31.23 N ATOM 402 CZ ARG A 26 14.021 8.118 -8.350 1.00 71.20 C ATOM 403 NH1 ARG A 26 14.193 6.820 -8.112 1.00 2.53 N ATOM 404 NH2 ARG A 26 13.932 8.547 -9.602 1.00 63.52 N ATOM 0 H ARG A 26 12.034 7.067 -1.641 1.00 64.13 H new ATOM 0 HA ARG A 26 10.442 7.627 -3.941 1.00 5.42 H new ATOM 0 HB2 ARG A 26 12.630 8.730 -3.382 1.00 33.31 H new ATOM 0 HB3 ARG A 26 13.446 7.224 -3.756 1.00 33.31 H new ATOM 0 HG2 ARG A 26 12.247 7.356 -6.052 1.00 4.11 H new ATOM 0 HG3 ARG A 26 11.886 9.018 -5.631 1.00 4.11 H new ATOM 0 HD2 ARG A 26 14.321 9.465 -5.337 1.00 35.24 H new ATOM 0 HD3 ARG A 26 14.674 7.805 -5.777 1.00 35.24 H new ATOM 0 HE ARG A 26 13.873 9.982 -7.577 1.00 31.23 H new ATOM 0 HH11 ARG A 26 14.271 6.483 -7.152 1.00 2.53 H new ATOM 0 HH12 ARG A 26 14.247 6.162 -8.889 1.00 2.53 H new ATOM 0 HH21 ARG A 26 13.808 9.541 -9.793 1.00 63.52 H new ATOM 0 HH22 ARG A 26 13.987 7.883 -10.374 1.00 63.52 H new ATOM 418 N ARG A 27 11.987 4.724 -3.675 1.00 61.43 N ATOM 419 CA ARG A 27 12.072 3.366 -4.201 1.00 44.12 C ATOM 420 C ARG A 27 10.673 2.785 -4.399 1.00 3.02 C ATOM 421 O ARG A 27 10.417 2.061 -5.363 1.00 32.44 O ATOM 422 CB ARG A 27 12.879 2.483 -3.240 1.00 44.44 C ATOM 423 CG ARG A 27 13.103 1.064 -3.732 1.00 71.01 C ATOM 424 CD ARG A 27 14.071 1.020 -4.903 1.00 43.33 C ATOM 425 NE ARG A 27 14.299 -0.347 -5.368 1.00 21.43 N ATOM 426 CZ ARG A 27 15.502 -0.863 -5.625 1.00 11.45 C ATOM 427 NH1 ARG A 27 16.596 -0.128 -5.487 1.00 35.22 N ATOM 428 NH2 ARG A 27 15.613 -2.119 -6.032 1.00 10.44 N ATOM 0 H ARG A 27 12.479 4.860 -2.792 1.00 61.43 H new ATOM 0 HA ARG A 27 12.577 3.394 -5.167 1.00 44.12 H new ATOM 0 HB2 ARG A 27 13.848 2.950 -3.063 1.00 44.44 H new ATOM 0 HB3 ARG A 27 12.363 2.445 -2.281 1.00 44.44 H new ATOM 0 HG2 ARG A 27 13.491 0.453 -2.917 1.00 71.01 H new ATOM 0 HG3 ARG A 27 12.150 0.628 -4.031 1.00 71.01 H new ATOM 0 HD2 ARG A 27 13.678 1.622 -5.722 1.00 43.33 H new ATOM 0 HD3 ARG A 27 15.020 1.466 -4.607 1.00 43.33 H new ATOM 0 HE ARG A 27 13.485 -0.946 -5.505 1.00 21.43 H new ATOM 0 HH11 ARG A 27 16.523 0.842 -5.182 1.00 35.22 H new ATOM 0 HH12 ARG A 27 17.511 -0.533 -5.686 1.00 35.22 H new ATOM 0 HH21 ARG A 27 14.778 -2.693 -6.149 1.00 10.44 H new ATOM 0 HH22 ARG A 27 16.534 -2.512 -6.228 1.00 10.44 H new ATOM 442 N ILE A 28 9.774 3.125 -3.484 1.00 43.23 N ATOM 443 CA ILE A 28 8.391 2.678 -3.553 1.00 11.15 C ATOM 444 C ILE A 28 7.703 3.245 -4.795 1.00 32.12 C ATOM 445 O ILE A 28 7.085 2.510 -5.571 1.00 10.41 O ATOM 446 CB ILE A 28 7.608 3.102 -2.290 1.00 31.22 C ATOM 447 CG1 ILE A 28 8.309 2.594 -1.027 1.00 64.13 C ATOM 448 CG2 ILE A 28 6.182 2.576 -2.344 1.00 12.12 C ATOM 449 CD1 ILE A 28 7.674 3.086 0.258 1.00 44.14 C ATOM 0 H ILE A 28 9.982 3.715 -2.678 1.00 43.23 H new ATOM 0 HA ILE A 28 8.398 1.590 -3.613 1.00 11.15 H new ATOM 0 HB ILE A 28 7.577 4.191 -2.258 1.00 31.22 H new ATOM 0 HG12 ILE A 28 8.303 1.504 -1.031 1.00 64.13 H new ATOM 0 HG13 ILE A 28 9.353 2.907 -1.050 1.00 64.13 H new ATOM 0 HG21 ILE A 28 5.646 2.885 -1.446 1.00 12.12 H new ATOM 0 HG22 ILE A 28 5.679 2.978 -3.223 1.00 12.12 H new ATOM 0 HG23 ILE A 28 6.198 1.488 -2.401 1.00 12.12 H new ATOM 0 HD11 ILE A 28 8.223 2.687 1.111 1.00 44.14 H new ATOM 0 HD12 ILE A 28 7.704 4.175 0.285 1.00 44.14 H new ATOM 0 HD13 ILE A 28 6.638 2.750 0.304 1.00 44.14 H new ATOM 461 N MET A 29 7.845 4.554 -4.994 1.00 55.43 N ATOM 462 CA MET A 29 7.213 5.242 -6.121 1.00 52.21 C ATOM 463 C MET A 29 7.827 4.813 -7.444 1.00 5.34 C ATOM 464 O MET A 29 7.139 4.732 -8.460 1.00 51.51 O ATOM 465 CB MET A 29 7.337 6.760 -5.962 1.00 45.22 C ATOM 466 CG MET A 29 6.524 7.313 -4.807 1.00 23.24 C ATOM 467 SD MET A 29 6.654 9.103 -4.645 1.00 11.11 S ATOM 468 CE MET A 29 8.417 9.285 -4.380 1.00 3.52 C ATOM 0 H MET A 29 8.394 5.163 -4.387 1.00 55.43 H new ATOM 0 HA MET A 29 6.158 4.967 -6.125 1.00 52.21 H new ATOM 0 HB2 MET A 29 8.386 7.018 -5.815 1.00 45.22 H new ATOM 0 HB3 MET A 29 7.017 7.242 -6.886 1.00 45.22 H new ATOM 0 HG2 MET A 29 5.477 7.042 -4.944 1.00 23.24 H new ATOM 0 HG3 MET A 29 6.856 6.845 -3.880 1.00 23.24 H new ATOM 0 HE1 MET A 29 8.645 10.327 -4.155 1.00 3.52 H new ATOM 0 HE2 MET A 29 8.726 8.657 -3.544 1.00 3.52 H new ATOM 0 HE3 MET A 29 8.953 8.982 -5.279 1.00 3.52 H new ATOM 478 N ASP A 30 9.122 4.527 -7.413 1.00 73.43 N ATOM 479 CA ASP A 30 9.852 4.103 -8.600 1.00 71.12 C ATOM 480 C ASP A 30 9.288 2.793 -9.152 1.00 73.32 C ATOM 481 O ASP A 30 9.423 2.497 -10.341 1.00 73.01 O ATOM 482 CB ASP A 30 11.338 3.947 -8.265 1.00 4.21 C ATOM 483 CG ASP A 30 12.183 3.571 -9.464 1.00 15.14 C ATOM 484 OD1 ASP A 30 12.330 4.409 -10.380 1.00 14.21 O ATOM 485 OD2 ASP A 30 12.737 2.452 -9.481 1.00 4.11 O ATOM 0 H ASP A 30 9.693 4.582 -6.570 1.00 73.43 H new ATOM 0 HA ASP A 30 9.737 4.866 -9.370 1.00 71.12 H new ATOM 0 HB2 ASP A 30 11.709 4.882 -7.846 1.00 4.21 H new ATOM 0 HB3 ASP A 30 11.452 3.184 -7.495 1.00 4.21 H new ATOM 491 N MET A 31 8.639 2.020 -8.288 1.00 74.34 N ATOM 492 CA MET A 31 8.040 0.753 -8.695 1.00 1.11 C ATOM 493 C MET A 31 6.618 0.952 -9.217 1.00 62.30 C ATOM 494 O MET A 31 6.110 0.130 -9.986 1.00 65.42 O ATOM 495 CB MET A 31 8.026 -0.230 -7.525 1.00 2.15 C ATOM 496 CG MET A 31 9.406 -0.703 -7.101 1.00 51.14 C ATOM 497 SD MET A 31 9.350 -1.822 -5.684 1.00 61.25 S ATOM 498 CE MET A 31 8.620 -0.763 -4.436 1.00 2.14 C ATOM 0 H MET A 31 8.514 2.248 -7.302 1.00 74.34 H new ATOM 0 HA MET A 31 8.648 0.345 -9.502 1.00 1.11 H new ATOM 0 HB2 MET A 31 7.537 0.242 -6.673 1.00 2.15 H new ATOM 0 HB3 MET A 31 7.424 -1.096 -7.799 1.00 2.15 H new ATOM 0 HG2 MET A 31 9.887 -1.207 -7.939 1.00 51.14 H new ATOM 0 HG3 MET A 31 10.022 0.161 -6.853 1.00 51.14 H new ATOM 0 HE1 MET A 31 9.191 -0.844 -3.511 1.00 2.14 H new ATOM 0 HE2 MET A 31 8.634 0.270 -4.782 1.00 2.14 H new ATOM 0 HE3 MET A 31 7.590 -1.071 -4.255 1.00 2.14 H new ATOM 508 N GLY A 32 5.982 2.042 -8.805 1.00 61.03 N ATOM 509 CA GLY A 32 4.623 2.316 -9.226 1.00 12.05 C ATOM 510 C GLY A 32 3.768 2.842 -8.092 1.00 51.11 C ATOM 511 O GLY A 32 2.834 3.616 -8.315 1.00 13.11 O ATOM 0 H GLY A 32 6.386 2.743 -8.184 1.00 61.03 H new ATOM 0 HA2 GLY A 32 4.636 3.044 -10.037 1.00 12.05 H new ATOM 0 HA3 GLY A 32 4.176 1.404 -9.623 1.00 12.05 H new ATOM 515 N ILE A 33 4.095 2.430 -6.871 1.00 2.03 N ATOM 516 CA ILE A 33 3.326 2.825 -5.699 1.00 12.32 C ATOM 517 C ILE A 33 3.616 4.279 -5.347 1.00 40.43 C ATOM 518 O ILE A 33 4.609 4.588 -4.694 1.00 44.05 O ATOM 519 CB ILE A 33 3.621 1.934 -4.465 1.00 35.22 C ATOM 520 CG1 ILE A 33 3.379 0.451 -4.767 1.00 32.34 C ATOM 521 CG2 ILE A 33 2.766 2.366 -3.282 1.00 22.31 C ATOM 522 CD1 ILE A 33 4.533 -0.236 -5.467 1.00 52.12 C ATOM 0 H ILE A 33 4.889 1.822 -6.669 1.00 2.03 H new ATOM 0 HA ILE A 33 2.274 2.700 -5.956 1.00 12.32 H new ATOM 0 HB ILE A 33 4.674 2.060 -4.215 1.00 35.22 H new ATOM 0 HG12 ILE A 33 3.174 -0.070 -3.832 1.00 32.34 H new ATOM 0 HG13 ILE A 33 2.486 0.359 -5.386 1.00 32.34 H new ATOM 0 HG21 ILE A 33 2.985 1.731 -2.424 1.00 22.31 H new ATOM 0 HG22 ILE A 33 2.988 3.403 -3.032 1.00 22.31 H new ATOM 0 HG23 ILE A 33 1.712 2.274 -3.542 1.00 22.31 H new ATOM 0 HD11 ILE A 33 4.281 -1.282 -5.644 1.00 52.12 H new ATOM 0 HD12 ILE A 33 4.726 0.257 -6.420 1.00 52.12 H new ATOM 0 HD13 ILE A 33 5.424 -0.178 -4.842 1.00 52.12 H new ATOM 534 N THR A 34 2.754 5.166 -5.804 1.00 41.22 N ATOM 535 CA THR A 34 2.962 6.589 -5.622 1.00 35.01 C ATOM 536 C THR A 34 1.928 7.182 -4.670 1.00 60.13 C ATOM 537 O THR A 34 1.000 6.499 -4.242 1.00 34.33 O ATOM 538 CB THR A 34 2.899 7.320 -6.974 1.00 45.21 C ATOM 539 OG1 THR A 34 1.769 6.857 -7.728 1.00 53.33 O ATOM 540 CG2 THR A 34 4.172 7.097 -7.775 1.00 54.13 C ATOM 0 H THR A 34 1.900 4.925 -6.306 1.00 41.22 H new ATOM 0 HA THR A 34 3.952 6.724 -5.185 1.00 35.01 H new ATOM 0 HB THR A 34 2.796 8.387 -6.778 1.00 45.21 H new ATOM 0 HG1 THR A 34 1.734 7.328 -8.587 1.00 53.33 H new ATOM 0 HG21 THR A 34 4.101 7.625 -8.726 1.00 54.13 H new ATOM 0 HG22 THR A 34 5.026 7.475 -7.213 1.00 54.13 H new ATOM 0 HG23 THR A 34 4.303 6.031 -7.961 1.00 54.13 H new ATOM 548 N ARG A 35 2.090 8.451 -4.338 1.00 10.45 N ATOM 549 CA ARG A 35 1.132 9.147 -3.494 1.00 65.20 C ATOM 550 C ARG A 35 -0.087 9.558 -4.316 1.00 53.21 C ATOM 551 O ARG A 35 0.033 10.275 -5.308 1.00 72.15 O ATOM 552 CB ARG A 35 1.802 10.366 -2.844 1.00 13.32 C ATOM 553 CG ARG A 35 2.565 11.239 -3.836 1.00 14.31 C ATOM 554 CD ARG A 35 3.387 12.314 -3.141 1.00 54.04 C ATOM 555 NE ARG A 35 2.558 13.282 -2.426 1.00 25.33 N ATOM 556 CZ ARG A 35 2.525 14.585 -2.713 1.00 33.44 C ATOM 557 NH1 ARG A 35 3.228 15.072 -3.728 1.00 25.03 N ATOM 558 NH2 ARG A 35 1.782 15.405 -1.987 1.00 52.13 N ATOM 0 H ARG A 35 2.879 9.023 -4.641 1.00 10.45 H new ATOM 0 HA ARG A 35 0.794 8.480 -2.701 1.00 65.20 H new ATOM 0 HB2 ARG A 35 1.040 10.970 -2.351 1.00 13.32 H new ATOM 0 HB3 ARG A 35 2.488 10.024 -2.069 1.00 13.32 H new ATOM 0 HG2 ARG A 35 3.224 10.612 -4.437 1.00 14.31 H new ATOM 0 HG3 ARG A 35 1.860 11.709 -4.521 1.00 14.31 H new ATOM 0 HD2 ARG A 35 4.075 11.843 -2.440 1.00 54.04 H new ATOM 0 HD3 ARG A 35 3.994 12.837 -3.880 1.00 54.04 H new ATOM 0 HE ARG A 35 1.971 12.942 -1.664 1.00 25.33 H new ATOM 0 HH11 ARG A 35 3.801 14.449 -4.297 1.00 25.03 H new ATOM 0 HH12 ARG A 35 3.196 16.069 -3.939 1.00 25.03 H new ATOM 0 HH21 ARG A 35 1.234 15.041 -1.207 1.00 52.13 H new ATOM 0 HH22 ARG A 35 1.757 16.401 -2.207 1.00 52.13 H new ATOM 572 N GLY A 36 -1.252 9.080 -3.907 1.00 42.21 N ATOM 573 CA GLY A 36 -2.469 9.345 -4.645 1.00 3.33 C ATOM 574 C GLY A 36 -2.775 8.250 -5.648 1.00 61.31 C ATOM 575 O GLY A 36 -3.327 8.512 -6.718 1.00 12.01 O ATOM 0 H GLY A 36 -1.377 8.509 -3.071 1.00 42.21 H new ATOM 0 HA2 GLY A 36 -3.302 9.441 -3.948 1.00 3.33 H new ATOM 0 HA3 GLY A 36 -2.377 10.298 -5.166 1.00 3.33 H new ATOM 579 N CYS A 37 -2.402 7.021 -5.311 1.00 12.44 N ATOM 580 CA CYS A 37 -2.689 5.885 -6.164 1.00 42.25 C ATOM 581 C CYS A 37 -3.640 4.927 -5.463 1.00 13.12 C ATOM 582 O CYS A 37 -3.699 4.889 -4.230 1.00 72.43 O ATOM 583 CB CYS A 37 -1.399 5.155 -6.536 1.00 51.21 C ATOM 584 SG CYS A 37 -0.592 4.315 -5.156 1.00 21.34 S ATOM 0 H CYS A 37 -1.901 6.791 -4.453 1.00 12.44 H new ATOM 0 HA CYS A 37 -3.161 6.251 -7.076 1.00 42.25 H new ATOM 0 HB2 CYS A 37 -1.621 4.422 -7.312 1.00 51.21 H new ATOM 0 HB3 CYS A 37 -0.701 5.873 -6.967 1.00 51.21 H new ATOM 0 HG CYS A 37 0.119 5.170 -4.483 1.00 21.34 H new ATOM 590 N GLU A 38 -4.386 4.171 -6.253 1.00 13.41 N ATOM 591 CA GLU A 38 -5.301 3.173 -5.723 1.00 43.13 C ATOM 592 C GLU A 38 -4.634 1.804 -5.739 1.00 30.12 C ATOM 593 O GLU A 38 -4.031 1.410 -6.741 1.00 44.04 O ATOM 594 CB GLU A 38 -6.592 3.156 -6.546 1.00 13.41 C ATOM 595 CG GLU A 38 -7.303 4.501 -6.567 1.00 43.24 C ATOM 596 CD GLU A 38 -8.412 4.581 -7.595 1.00 41.13 C ATOM 597 OE1 GLU A 38 -8.103 4.605 -8.807 1.00 30.54 O ATOM 598 OE2 GLU A 38 -9.595 4.658 -7.199 1.00 53.22 O ATOM 0 H GLU A 38 -4.375 4.231 -7.271 1.00 13.41 H new ATOM 0 HA GLU A 38 -5.554 3.425 -4.693 1.00 43.13 H new ATOM 0 HB2 GLU A 38 -6.360 2.858 -7.569 1.00 13.41 H new ATOM 0 HB3 GLU A 38 -7.266 2.402 -6.139 1.00 13.41 H new ATOM 0 HG2 GLU A 38 -7.719 4.699 -5.579 1.00 43.24 H new ATOM 0 HG3 GLU A 38 -6.574 5.286 -6.769 1.00 43.24 H new ATOM 606 N ILE A 39 -4.723 1.094 -4.625 1.00 1.35 N ATOM 607 CA ILE A 39 -4.080 -0.196 -4.485 1.00 4.41 C ATOM 608 C ILE A 39 -5.044 -1.210 -3.887 1.00 55.13 C ATOM 609 O ILE A 39 -5.750 -0.926 -2.920 1.00 5.33 O ATOM 610 CB ILE A 39 -2.820 -0.109 -3.593 1.00 12.33 C ATOM 611 CG1 ILE A 39 -1.778 0.825 -4.215 1.00 1.15 C ATOM 612 CG2 ILE A 39 -2.221 -1.493 -3.366 1.00 42.23 C ATOM 613 CD1 ILE A 39 -0.514 0.948 -3.396 1.00 73.13 C ATOM 0 H ILE A 39 -5.240 1.396 -3.799 1.00 1.35 H new ATOM 0 HA ILE A 39 -3.780 -0.517 -5.483 1.00 4.41 H new ATOM 0 HB ILE A 39 -3.119 0.300 -2.628 1.00 12.33 H new ATOM 0 HG12 ILE A 39 -1.523 0.460 -5.210 1.00 1.15 H new ATOM 0 HG13 ILE A 39 -2.218 1.814 -4.341 1.00 1.15 H new ATOM 0 HG21 ILE A 39 -1.336 -1.407 -2.736 1.00 42.23 H new ATOM 0 HG22 ILE A 39 -2.956 -2.131 -2.875 1.00 42.23 H new ATOM 0 HG23 ILE A 39 -1.943 -1.931 -4.325 1.00 42.23 H new ATOM 0 HD11 ILE A 39 0.179 1.625 -3.896 1.00 73.13 H new ATOM 0 HD12 ILE A 39 -0.757 1.342 -2.409 1.00 73.13 H new ATOM 0 HD13 ILE A 39 -0.051 -0.033 -3.292 1.00 73.13 H new ATOM 625 N TYR A 40 -5.086 -2.380 -4.479 1.00 42.22 N ATOM 626 CA TYR A 40 -5.837 -3.485 -3.917 1.00 62.40 C ATOM 627 C TYR A 40 -4.882 -4.456 -3.233 1.00 13.31 C ATOM 628 O TYR A 40 -3.942 -4.956 -3.857 1.00 53.04 O ATOM 629 CB TYR A 40 -6.642 -4.205 -5.002 1.00 61.54 C ATOM 630 CG TYR A 40 -7.474 -5.350 -4.468 1.00 65.42 C ATOM 631 CD1 TYR A 40 -8.649 -5.108 -3.768 1.00 63.04 C ATOM 632 CD2 TYR A 40 -7.085 -6.668 -4.665 1.00 70.30 C ATOM 633 CE1 TYR A 40 -9.411 -6.148 -3.275 1.00 3.41 C ATOM 634 CE2 TYR A 40 -7.843 -7.715 -4.176 1.00 53.43 C ATOM 635 CZ TYR A 40 -9.006 -7.448 -3.484 1.00 61.15 C ATOM 636 OH TYR A 40 -9.767 -8.489 -2.995 1.00 14.35 O ATOM 0 H TYR A 40 -4.608 -2.595 -5.354 1.00 42.22 H new ATOM 0 HA TYR A 40 -6.540 -3.093 -3.182 1.00 62.40 H new ATOM 0 HB2 TYR A 40 -7.298 -3.487 -5.495 1.00 61.54 H new ATOM 0 HB3 TYR A 40 -5.958 -4.585 -5.761 1.00 61.54 H new ATOM 0 HD1 TYR A 40 -8.972 -4.090 -3.607 1.00 63.04 H new ATOM 0 HD2 TYR A 40 -6.176 -6.878 -5.209 1.00 70.30 H new ATOM 0 HE1 TYR A 40 -10.320 -5.944 -2.728 1.00 3.41 H new ATOM 0 HE2 TYR A 40 -7.527 -8.735 -4.335 1.00 53.43 H new ATOM 0 HH TYR A 40 -9.486 -9.327 -3.419 1.00 14.35 H new ATOM 646 N ILE A 41 -5.100 -4.694 -1.946 1.00 64.34 N ATOM 647 CA ILE A 41 -4.283 -5.639 -1.198 1.00 34.24 C ATOM 648 C ILE A 41 -4.754 -7.061 -1.485 1.00 35.31 C ATOM 649 O ILE A 41 -5.896 -7.415 -1.203 1.00 25.04 O ATOM 650 CB ILE A 41 -4.341 -5.370 0.322 1.00 50.45 C ATOM 651 CG1 ILE A 41 -3.998 -3.907 0.626 1.00 44.20 C ATOM 652 CG2 ILE A 41 -3.389 -6.298 1.069 1.00 10.23 C ATOM 653 CD1 ILE A 41 -2.630 -3.489 0.137 1.00 34.15 C ATOM 0 H ILE A 41 -5.835 -4.246 -1.399 1.00 64.34 H new ATOM 0 HA ILE A 41 -3.249 -5.515 -1.519 1.00 34.24 H new ATOM 0 HB ILE A 41 -5.358 -5.567 0.662 1.00 50.45 H new ATOM 0 HG12 ILE A 41 -4.750 -3.264 0.168 1.00 44.20 H new ATOM 0 HG13 ILE A 41 -4.054 -3.746 1.703 1.00 44.20 H new ATOM 0 HG21 ILE A 41 -3.445 -6.093 2.138 1.00 10.23 H new ATOM 0 HG22 ILE A 41 -3.671 -7.334 0.883 1.00 10.23 H new ATOM 0 HG23 ILE A 41 -2.370 -6.131 0.720 1.00 10.23 H new ATOM 0 HD11 ILE A 41 -2.458 -2.442 0.388 1.00 34.15 H new ATOM 0 HD12 ILE A 41 -1.869 -4.106 0.614 1.00 34.15 H new ATOM 0 HD13 ILE A 41 -2.575 -3.617 -0.944 1.00 34.15 H new ATOM 665 N ARG A 42 -3.872 -7.864 -2.063 1.00 64.22 N ATOM 666 CA ARG A 42 -4.223 -9.211 -2.480 1.00 74.20 C ATOM 667 C ARG A 42 -3.964 -10.224 -1.369 1.00 61.54 C ATOM 668 O ARG A 42 -4.818 -11.056 -1.076 1.00 30.02 O ATOM 669 CB ARG A 42 -3.430 -9.586 -3.734 1.00 3.21 C ATOM 670 CG ARG A 42 -3.749 -10.967 -4.294 1.00 14.44 C ATOM 671 CD ARG A 42 -5.189 -11.073 -4.778 1.00 4.40 C ATOM 672 NE ARG A 42 -6.140 -11.281 -3.685 1.00 31.02 N ATOM 673 CZ ARG A 42 -7.460 -11.332 -3.853 1.00 50.23 C ATOM 674 NH1 ARG A 42 -7.987 -11.110 -5.050 1.00 73.32 N ATOM 675 NH2 ARG A 42 -8.254 -11.594 -2.826 1.00 53.21 N ATOM 0 H ARG A 42 -2.905 -7.603 -2.254 1.00 64.22 H new ATOM 0 HA ARG A 42 -5.289 -9.232 -2.705 1.00 74.20 H new ATOM 0 HB2 ARG A 42 -3.622 -8.841 -4.506 1.00 3.21 H new ATOM 0 HB3 ARG A 42 -2.366 -9.538 -3.503 1.00 3.21 H new ATOM 0 HG2 ARG A 42 -3.073 -11.187 -5.120 1.00 14.44 H new ATOM 0 HG3 ARG A 42 -3.569 -11.719 -3.526 1.00 14.44 H new ATOM 0 HD2 ARG A 42 -5.455 -10.163 -5.317 1.00 4.40 H new ATOM 0 HD3 ARG A 42 -5.270 -11.898 -5.486 1.00 4.40 H new ATOM 0 HE ARG A 42 -5.771 -11.393 -2.741 1.00 31.02 H new ATOM 0 HH11 ARG A 42 -7.381 -10.900 -5.843 1.00 73.32 H new ATOM 0 HH12 ARG A 42 -8.998 -11.149 -5.177 1.00 73.32 H new ATOM 0 HH21 ARG A 42 -7.855 -11.758 -1.902 1.00 53.21 H new ATOM 0 HH22 ARG A 42 -9.265 -11.632 -2.959 1.00 53.21 H new ATOM 689 N LYS A 43 -2.787 -10.158 -0.758 1.00 63.10 N ATOM 690 CA LYS A 43 -2.420 -11.096 0.301 1.00 75.14 C ATOM 691 C LYS A 43 -1.355 -10.508 1.210 1.00 23.24 C ATOM 692 O LYS A 43 -0.493 -9.755 0.762 1.00 3.54 O ATOM 693 CB LYS A 43 -1.907 -12.418 -0.280 1.00 74.20 C ATOM 694 CG LYS A 43 -2.981 -13.478 -0.454 1.00 4.34 C ATOM 695 CD LYS A 43 -2.394 -14.782 -0.972 1.00 65.15 C ATOM 696 CE LYS A 43 -3.424 -15.896 -0.982 1.00 35.25 C ATOM 697 NZ LYS A 43 -3.896 -16.228 0.386 1.00 11.32 N ATOM 0 H LYS A 43 -2.070 -9.466 -0.976 1.00 63.10 H new ATOM 0 HA LYS A 43 -3.322 -11.287 0.882 1.00 75.14 H new ATOM 0 HB2 LYS A 43 -1.445 -12.222 -1.248 1.00 74.20 H new ATOM 0 HB3 LYS A 43 -1.127 -12.810 0.372 1.00 74.20 H new ATOM 0 HG2 LYS A 43 -3.478 -13.654 0.500 1.00 4.34 H new ATOM 0 HG3 LYS A 43 -3.741 -13.118 -1.148 1.00 4.34 H new ATOM 0 HD2 LYS A 43 -2.010 -14.633 -1.981 1.00 65.15 H new ATOM 0 HD3 LYS A 43 -1.549 -15.074 -0.349 1.00 65.15 H new ATOM 0 HE2 LYS A 43 -4.274 -15.599 -1.597 1.00 35.25 H new ATOM 0 HE3 LYS A 43 -2.993 -16.785 -1.443 1.00 35.25 H new ATOM 0 HZ1 LYS A 43 -4.363 -17.157 0.376 1.00 11.32 H new ATOM 0 HZ2 LYS A 43 -3.085 -16.255 1.036 1.00 11.32 H new ATOM 0 HZ3 LYS A 43 -4.572 -15.505 0.705 1.00 11.32 H new ATOM 711 N VAL A 44 -1.421 -10.862 2.486 1.00 54.42 N ATOM 712 CA VAL A 44 -0.412 -10.458 3.453 1.00 41.21 C ATOM 713 C VAL A 44 0.249 -11.702 4.036 1.00 25.35 C ATOM 714 O VAL A 44 -0.437 -12.598 4.531 1.00 52.53 O ATOM 715 CB VAL A 44 -1.018 -9.612 4.597 1.00 62.41 C ATOM 716 CG1 VAL A 44 0.062 -9.165 5.574 1.00 24.34 C ATOM 717 CG2 VAL A 44 -1.770 -8.410 4.041 1.00 21.00 C ATOM 0 H VAL A 44 -2.170 -11.433 2.877 1.00 54.42 H new ATOM 0 HA VAL A 44 0.324 -9.841 2.937 1.00 41.21 H new ATOM 0 HB VAL A 44 -1.727 -10.238 5.139 1.00 62.41 H new ATOM 0 HG11 VAL A 44 -0.390 -8.572 6.369 1.00 24.34 H new ATOM 0 HG12 VAL A 44 0.547 -10.040 6.005 1.00 24.34 H new ATOM 0 HG13 VAL A 44 0.802 -8.562 5.047 1.00 24.34 H new ATOM 0 HG21 VAL A 44 -2.188 -7.830 4.864 1.00 21.00 H new ATOM 0 HG22 VAL A 44 -1.085 -7.786 3.468 1.00 21.00 H new ATOM 0 HG23 VAL A 44 -2.577 -8.753 3.393 1.00 21.00 H new ATOM 727 N ALA A 45 1.571 -11.765 3.953 1.00 14.31 N ATOM 728 CA ALA A 45 2.315 -12.931 4.417 1.00 20.34 C ATOM 729 C ALA A 45 2.268 -13.043 5.939 1.00 44.44 C ATOM 730 O ALA A 45 2.257 -12.032 6.642 1.00 20.14 O ATOM 731 CB ALA A 45 3.753 -12.862 3.927 1.00 40.45 C ATOM 0 H ALA A 45 2.153 -11.021 3.568 1.00 14.31 H new ATOM 0 HA ALA A 45 1.846 -13.824 4.004 1.00 20.34 H new ATOM 0 HB1 ALA A 45 4.300 -13.737 4.279 1.00 40.45 H new ATOM 0 HB2 ALA A 45 3.765 -12.840 2.837 1.00 40.45 H new ATOM 0 HB3 ALA A 45 4.226 -11.959 4.313 1.00 40.45 H new ATOM 737 N PRO A 46 2.241 -14.281 6.466 1.00 5.04 N ATOM 738 CA PRO A 46 2.160 -14.535 7.913 1.00 32.11 C ATOM 739 C PRO A 46 3.330 -13.933 8.694 1.00 13.12 C ATOM 740 O PRO A 46 3.187 -13.575 9.862 1.00 25.55 O ATOM 741 CB PRO A 46 2.183 -16.067 8.017 1.00 53.24 C ATOM 742 CG PRO A 46 2.716 -16.545 6.709 1.00 22.22 C ATOM 743 CD PRO A 46 2.275 -15.534 5.693 1.00 21.31 C ATOM 0 HA PRO A 46 1.271 -14.075 8.345 1.00 32.11 H new ATOM 0 HB2 PRO A 46 2.815 -16.395 8.842 1.00 53.24 H new ATOM 0 HB3 PRO A 46 1.185 -16.463 8.203 1.00 53.24 H new ATOM 0 HG2 PRO A 46 3.803 -16.624 6.735 1.00 22.22 H new ATOM 0 HG3 PRO A 46 2.330 -17.535 6.468 1.00 22.22 H new ATOM 0 HD2 PRO A 46 2.971 -15.473 4.856 1.00 21.31 H new ATOM 0 HD3 PRO A 46 1.297 -15.779 5.278 1.00 21.31 H new ATOM 751 N LEU A 47 4.477 -13.818 8.040 1.00 72.42 N ATOM 752 CA LEU A 47 5.673 -13.273 8.677 1.00 23.03 C ATOM 753 C LEU A 47 5.766 -11.766 8.450 1.00 24.24 C ATOM 754 O LEU A 47 6.688 -11.104 8.933 1.00 5.42 O ATOM 755 CB LEU A 47 6.944 -13.962 8.150 1.00 72.41 C ATOM 756 CG LEU A 47 7.219 -13.807 6.647 1.00 64.35 C ATOM 757 CD1 LEU A 47 8.692 -14.048 6.351 1.00 0.54 C ATOM 758 CD2 LEU A 47 6.367 -14.771 5.834 1.00 50.45 C ATOM 0 H LEU A 47 4.607 -14.095 7.067 1.00 72.42 H new ATOM 0 HA LEU A 47 5.595 -13.465 9.747 1.00 23.03 H new ATOM 0 HB2 LEU A 47 7.800 -13.569 8.698 1.00 72.41 H new ATOM 0 HB3 LEU A 47 6.879 -15.026 8.380 1.00 72.41 H new ATOM 0 HG LEU A 47 6.957 -12.788 6.362 1.00 64.35 H new ATOM 0 HD11 LEU A 47 8.872 -13.935 5.282 1.00 0.54 H new ATOM 0 HD12 LEU A 47 9.296 -13.325 6.899 1.00 0.54 H new ATOM 0 HD13 LEU A 47 8.965 -15.057 6.660 1.00 0.54 H new ATOM 0 HD21 LEU A 47 6.581 -14.640 4.773 1.00 50.45 H new ATOM 0 HD22 LEU A 47 6.597 -15.795 6.127 1.00 50.45 H new ATOM 0 HD23 LEU A 47 5.312 -14.569 6.019 1.00 50.45 H new ATOM 770 N GLY A 48 4.801 -11.229 7.723 1.00 44.43 N ATOM 771 CA GLY A 48 4.796 -9.819 7.418 1.00 71.22 C ATOM 772 C GLY A 48 4.855 -9.567 5.931 1.00 13.33 C ATOM 773 O GLY A 48 3.862 -9.166 5.325 1.00 14.13 O ATOM 0 H GLY A 48 4.015 -11.751 7.336 1.00 44.43 H new ATOM 0 HA2 GLY A 48 3.896 -9.361 7.829 1.00 71.22 H new ATOM 0 HA3 GLY A 48 5.647 -9.339 7.902 1.00 71.22 H new ATOM 777 N ASP A 49 6.015 -9.823 5.340 1.00 21.32 N ATOM 778 CA ASP A 49 6.208 -9.622 3.910 1.00 3.12 C ATOM 779 C ASP A 49 6.534 -10.948 3.232 1.00 34.11 C ATOM 780 O ASP A 49 6.899 -11.916 3.899 1.00 61.05 O ATOM 781 CB ASP A 49 7.327 -8.608 3.646 1.00 72.53 C ATOM 782 CG ASP A 49 8.706 -9.133 3.988 1.00 34.34 C ATOM 783 OD1 ASP A 49 9.372 -9.692 3.097 1.00 21.01 O ATOM 784 OD2 ASP A 49 9.139 -8.971 5.149 1.00 14.41 O ATOM 0 H ASP A 49 6.839 -10.171 5.831 1.00 21.32 H new ATOM 0 HA ASP A 49 5.282 -9.227 3.494 1.00 3.12 H new ATOM 0 HB2 ASP A 49 7.306 -8.320 2.595 1.00 72.53 H new ATOM 0 HB3 ASP A 49 7.135 -7.706 4.227 1.00 72.53 H new ATOM 790 N PRO A 50 6.413 -11.015 1.897 1.00 44.03 N ATOM 791 CA PRO A 50 6.006 -9.889 1.058 1.00 42.20 C ATOM 792 C PRO A 50 4.488 -9.725 0.977 1.00 61.21 C ATOM 793 O PRO A 50 3.739 -10.703 0.979 1.00 2.22 O ATOM 794 CB PRO A 50 6.574 -10.247 -0.326 1.00 14.01 C ATOM 795 CG PRO A 50 7.213 -11.597 -0.185 1.00 21.13 C ATOM 796 CD PRO A 50 6.681 -12.197 1.085 1.00 23.14 C ATOM 0 HA PRO A 50 6.371 -8.943 1.458 1.00 42.20 H new ATOM 0 HB2 PRO A 50 5.784 -10.268 -1.077 1.00 14.01 H new ATOM 0 HB3 PRO A 50 7.303 -9.504 -0.651 1.00 14.01 H new ATOM 0 HG2 PRO A 50 6.975 -12.229 -1.041 1.00 21.13 H new ATOM 0 HG3 PRO A 50 8.299 -11.509 -0.146 1.00 21.13 H new ATOM 0 HD2 PRO A 50 5.779 -12.784 0.911 1.00 23.14 H new ATOM 0 HD3 PRO A 50 7.407 -12.859 1.557 1.00 23.14 H new ATOM 804 N ILE A 51 4.044 -8.481 0.891 1.00 54.12 N ATOM 805 CA ILE A 51 2.624 -8.189 0.761 1.00 44.23 C ATOM 806 C ILE A 51 2.273 -8.047 -0.715 1.00 72.13 C ATOM 807 O ILE A 51 2.894 -7.269 -1.435 1.00 63.41 O ATOM 808 CB ILE A 51 2.205 -6.892 1.507 1.00 35.33 C ATOM 809 CG1 ILE A 51 2.533 -6.967 3.004 1.00 72.13 C ATOM 810 CG2 ILE A 51 0.717 -6.623 1.318 1.00 21.04 C ATOM 811 CD1 ILE A 51 3.970 -6.621 3.339 1.00 52.41 C ATOM 0 H ILE A 51 4.645 -7.657 0.909 1.00 54.12 H new ATOM 0 HA ILE A 51 2.082 -9.018 1.216 1.00 44.23 H new ATOM 0 HB ILE A 51 2.778 -6.071 1.076 1.00 35.33 H new ATOM 0 HG12 ILE A 51 1.872 -6.290 3.545 1.00 72.13 H new ATOM 0 HG13 ILE A 51 2.320 -7.974 3.362 1.00 72.13 H new ATOM 0 HG21 ILE A 51 0.442 -5.711 1.848 1.00 21.04 H new ATOM 0 HG22 ILE A 51 0.500 -6.505 0.256 1.00 21.04 H new ATOM 0 HG23 ILE A 51 0.143 -7.460 1.715 1.00 21.04 H new ATOM 0 HD11 ILE A 51 4.121 -6.697 4.416 1.00 52.41 H new ATOM 0 HD12 ILE A 51 4.639 -7.313 2.829 1.00 52.41 H new ATOM 0 HD13 ILE A 51 4.184 -5.603 3.014 1.00 52.41 H new ATOM 823 N GLN A 52 1.296 -8.814 -1.166 1.00 23.51 N ATOM 824 CA GLN A 52 0.889 -8.782 -2.561 1.00 63.04 C ATOM 825 C GLN A 52 -0.041 -7.601 -2.800 1.00 2.32 C ATOM 826 O GLN A 52 -1.167 -7.578 -2.298 1.00 55.04 O ATOM 827 CB GLN A 52 0.200 -10.093 -2.947 1.00 53.31 C ATOM 828 CG GLN A 52 1.068 -11.324 -2.738 1.00 45.41 C ATOM 829 CD GLN A 52 2.371 -11.255 -3.509 1.00 61.23 C ATOM 830 OE1 GLN A 52 2.447 -11.675 -4.663 1.00 61.14 O ATOM 831 NE2 GLN A 52 3.408 -10.738 -2.870 1.00 23.12 N ATOM 0 H GLN A 52 0.769 -9.467 -0.586 1.00 23.51 H new ATOM 0 HA GLN A 52 1.775 -8.666 -3.185 1.00 63.04 H new ATOM 0 HB2 GLN A 52 -0.713 -10.199 -2.361 1.00 53.31 H new ATOM 0 HB3 GLN A 52 -0.097 -10.042 -3.994 1.00 53.31 H new ATOM 0 HG2 GLN A 52 1.284 -11.436 -1.675 1.00 45.41 H new ATOM 0 HG3 GLN A 52 0.514 -12.211 -3.046 1.00 45.41 H new ATOM 0 HE21 GLN A 52 3.301 -10.401 -1.913 1.00 23.12 H new ATOM 0 HE22 GLN A 52 4.314 -10.676 -3.334 1.00 23.12 H new ATOM 840 N ILE A 53 0.439 -6.618 -3.546 1.00 72.51 N ATOM 841 CA ILE A 53 -0.320 -5.401 -3.783 1.00 20.12 C ATOM 842 C ILE A 53 -0.496 -5.145 -5.274 1.00 70.22 C ATOM 843 O ILE A 53 0.324 -5.571 -6.086 1.00 13.40 O ATOM 844 CB ILE A 53 0.353 -4.174 -3.110 1.00 3.30 C ATOM 845 CG1 ILE A 53 1.807 -3.988 -3.578 1.00 53.11 C ATOM 846 CG2 ILE A 53 0.312 -4.305 -1.596 1.00 40.34 C ATOM 847 CD1 ILE A 53 1.958 -3.149 -4.832 1.00 22.24 C ATOM 0 H ILE A 53 1.353 -6.640 -3.998 1.00 72.51 H new ATOM 0 HA ILE A 53 -1.304 -5.543 -3.335 1.00 20.12 H new ATOM 0 HB ILE A 53 -0.213 -3.292 -3.412 1.00 3.30 H new ATOM 0 HG12 ILE A 53 2.378 -3.524 -2.774 1.00 53.11 H new ATOM 0 HG13 ILE A 53 2.247 -4.969 -3.757 1.00 53.11 H new ATOM 0 HG21 ILE A 53 0.788 -3.436 -1.143 1.00 40.34 H new ATOM 0 HG22 ILE A 53 -0.724 -4.365 -1.264 1.00 40.34 H new ATOM 0 HG23 ILE A 53 0.843 -5.208 -1.294 1.00 40.34 H new ATOM 0 HD11 ILE A 53 3.014 -3.069 -5.091 1.00 22.24 H new ATOM 0 HD12 ILE A 53 1.418 -3.621 -5.653 1.00 22.24 H new ATOM 0 HD13 ILE A 53 1.551 -2.153 -4.655 1.00 22.24 H new ATOM 859 N ASN A 54 -1.577 -4.468 -5.629 1.00 70.31 N ATOM 860 CA ASN A 54 -1.797 -4.053 -7.006 1.00 61.54 C ATOM 861 C ASN A 54 -1.960 -2.542 -7.058 1.00 71.32 C ATOM 862 O ASN A 54 -2.957 -2.001 -6.581 1.00 22.54 O ATOM 863 CB ASN A 54 -3.028 -4.759 -7.590 1.00 34.04 C ATOM 864 CG ASN A 54 -3.204 -4.521 -9.082 1.00 41.33 C ATOM 865 OD1 ASN A 54 -2.936 -3.439 -9.602 1.00 22.13 O ATOM 866 ND2 ASN A 54 -3.643 -5.549 -9.790 1.00 52.32 N ATOM 0 H ASN A 54 -2.316 -4.194 -4.982 1.00 70.31 H new ATOM 0 HA ASN A 54 -0.935 -4.335 -7.610 1.00 61.54 H new ATOM 0 HB2 ASN A 54 -2.945 -5.830 -7.407 1.00 34.04 H new ATOM 0 HB3 ASN A 54 -3.919 -4.414 -7.066 1.00 34.04 H new ATOM 0 HD21 ASN A 54 -3.768 -5.458 -10.798 1.00 52.32 H new ATOM 0 HD22 ASN A 54 -3.856 -6.433 -9.328 1.00 52.32 H new ATOM 873 N VAL A 55 -0.968 -1.876 -7.629 1.00 3.02 N ATOM 874 CA VAL A 55 -0.930 -0.422 -7.677 1.00 0.24 C ATOM 875 C VAL A 55 -1.195 0.077 -9.089 1.00 1.11 C ATOM 876 O VAL A 55 -0.534 -0.358 -10.029 1.00 23.21 O ATOM 877 CB VAL A 55 0.434 0.110 -7.190 1.00 11.01 C ATOM 878 CG1 VAL A 55 1.585 -0.403 -8.046 1.00 72.23 C ATOM 879 CG2 VAL A 55 0.428 1.627 -7.142 1.00 71.44 C ATOM 0 H VAL A 55 -0.168 -2.327 -8.072 1.00 3.02 H new ATOM 0 HA VAL A 55 -1.711 -0.049 -7.014 1.00 0.24 H new ATOM 0 HB VAL A 55 0.592 -0.269 -6.180 1.00 11.01 H new ATOM 0 HG11 VAL A 55 2.526 -0.004 -7.668 1.00 72.23 H new ATOM 0 HG12 VAL A 55 1.611 -1.492 -8.006 1.00 72.23 H new ATOM 0 HG13 VAL A 55 1.443 -0.081 -9.078 1.00 72.23 H new ATOM 0 HG21 VAL A 55 1.398 1.984 -6.796 1.00 71.44 H new ATOM 0 HG22 VAL A 55 0.230 2.022 -8.139 1.00 71.44 H new ATOM 0 HG23 VAL A 55 -0.349 1.966 -6.457 1.00 71.44 H new ATOM 889 N ARG A 56 -2.160 0.987 -9.228 1.00 40.12 N ATOM 890 CA ARG A 56 -2.555 1.512 -10.538 1.00 34.23 C ATOM 891 C ARG A 56 -3.097 0.370 -11.397 1.00 14.33 C ATOM 892 O ARG A 56 -4.305 0.127 -11.445 1.00 10.25 O ATOM 893 CB ARG A 56 -1.372 2.186 -11.259 1.00 64.01 C ATOM 894 CG ARG A 56 -0.743 3.365 -10.521 1.00 41.31 C ATOM 895 CD ARG A 56 -1.684 4.556 -10.455 1.00 20.11 C ATOM 896 NE ARG A 56 -0.973 5.808 -10.188 1.00 5.52 N ATOM 897 CZ ARG A 56 -1.540 6.893 -9.657 1.00 72.43 C ATOM 898 NH1 ARG A 56 -2.809 6.862 -9.265 1.00 71.43 N ATOM 899 NH2 ARG A 56 -0.835 8.006 -9.516 1.00 53.00 N ATOM 0 H ARG A 56 -2.685 1.378 -8.446 1.00 40.12 H new ATOM 0 HA ARG A 56 -3.326 2.267 -10.384 1.00 34.23 H new ATOM 0 HB2 ARG A 56 -0.601 1.436 -11.435 1.00 64.01 H new ATOM 0 HB3 ARG A 56 -1.712 2.530 -12.236 1.00 64.01 H new ATOM 0 HG2 ARG A 56 -0.473 3.059 -9.510 1.00 41.31 H new ATOM 0 HG3 ARG A 56 0.179 3.658 -11.023 1.00 41.31 H new ATOM 0 HD2 ARG A 56 -2.226 4.642 -11.397 1.00 20.11 H new ATOM 0 HD3 ARG A 56 -2.426 4.388 -9.675 1.00 20.11 H new ATOM 0 HE ARG A 56 0.019 5.854 -10.423 1.00 5.52 H new ATOM 0 HH11 ARG A 56 -3.354 6.006 -9.369 1.00 71.43 H new ATOM 0 HH12 ARG A 56 -3.238 7.694 -8.860 1.00 71.43 H new ATOM 0 HH21 ARG A 56 0.140 8.033 -9.813 1.00 53.00 H new ATOM 0 HH22 ARG A 56 -1.268 8.836 -9.110 1.00 53.00 H new ATOM 913 N GLY A 57 -2.185 -0.333 -12.051 1.00 75.35 N ATOM 914 CA GLY A 57 -2.517 -1.534 -12.780 1.00 53.43 C ATOM 915 C GLY A 57 -1.343 -2.488 -12.790 1.00 54.03 C ATOM 916 O GLY A 57 -1.108 -3.190 -13.772 1.00 42.52 O ATOM 0 H GLY A 57 -1.197 -0.082 -12.088 1.00 75.35 H new ATOM 0 HA2 GLY A 57 -3.381 -2.016 -12.324 1.00 53.43 H new ATOM 0 HA3 GLY A 57 -2.796 -1.281 -13.803 1.00 53.43 H new ATOM 920 N TYR A 58 -0.593 -2.494 -11.690 1.00 53.42 N ATOM 921 CA TYR A 58 0.620 -3.293 -11.580 1.00 42.15 C ATOM 922 C TYR A 58 0.609 -4.072 -10.270 1.00 70.14 C ATOM 923 O TYR A 58 0.409 -3.490 -9.208 1.00 20.22 O ATOM 924 CB TYR A 58 1.840 -2.364 -11.601 1.00 73.51 C ATOM 925 CG TYR A 58 3.074 -2.961 -12.242 1.00 12.11 C ATOM 926 CD1 TYR A 58 3.157 -3.124 -13.618 1.00 54.51 C ATOM 927 CD2 TYR A 58 4.157 -3.353 -11.471 1.00 41.54 C ATOM 928 CE1 TYR A 58 4.286 -3.666 -14.206 1.00 23.42 C ATOM 929 CE2 TYR A 58 5.290 -3.894 -12.051 1.00 54.45 C ATOM 930 CZ TYR A 58 5.351 -4.047 -13.418 1.00 73.40 C ATOM 931 OH TYR A 58 6.477 -4.589 -13.996 1.00 14.31 O ATOM 0 H TYR A 58 -0.809 -1.948 -10.856 1.00 53.42 H new ATOM 0 HA TYR A 58 0.668 -3.991 -12.416 1.00 42.15 H new ATOM 0 HB2 TYR A 58 1.576 -1.450 -12.133 1.00 73.51 H new ATOM 0 HB3 TYR A 58 2.080 -2.078 -10.577 1.00 73.51 H new ATOM 0 HD1 TYR A 58 2.327 -2.823 -14.240 1.00 54.51 H new ATOM 0 HD2 TYR A 58 4.115 -3.234 -10.398 1.00 41.54 H new ATOM 0 HE1 TYR A 58 4.333 -3.790 -15.278 1.00 23.42 H new ATOM 0 HE2 TYR A 58 6.124 -4.195 -11.434 1.00 54.45 H new ATOM 0 HH TYR A 58 7.132 -4.801 -13.299 1.00 14.31 H new ATOM 941 N GLU A 59 0.845 -5.371 -10.333 1.00 12.13 N ATOM 942 CA GLU A 59 0.857 -6.181 -9.122 1.00 23.10 C ATOM 943 C GLU A 59 2.279 -6.566 -8.726 1.00 22.30 C ATOM 944 O GLU A 59 2.996 -7.233 -9.475 1.00 34.32 O ATOM 945 CB GLU A 59 -0.040 -7.413 -9.274 1.00 64.22 C ATOM 946 CG GLU A 59 0.094 -8.129 -10.607 1.00 73.14 C ATOM 947 CD GLU A 59 -0.957 -9.205 -10.781 1.00 34.51 C ATOM 948 OE1 GLU A 59 -2.148 -8.860 -10.950 1.00 21.51 O ATOM 949 OE2 GLU A 59 -0.604 -10.403 -10.759 1.00 45.14 O ATOM 0 H GLU A 59 1.029 -5.884 -11.195 1.00 12.13 H new ATOM 0 HA GLU A 59 0.449 -5.576 -8.312 1.00 23.10 H new ATOM 0 HB2 GLU A 59 0.191 -8.116 -8.474 1.00 64.22 H new ATOM 0 HB3 GLU A 59 -1.078 -7.109 -9.142 1.00 64.22 H new ATOM 0 HG2 GLU A 59 0.009 -7.405 -11.417 1.00 73.14 H new ATOM 0 HG3 GLU A 59 1.086 -8.575 -10.681 1.00 73.14 H new ATOM 957 N LEU A 60 2.673 -6.135 -7.538 1.00 30.04 N ATOM 958 CA LEU A 60 4.031 -6.323 -7.046 1.00 73.11 C ATOM 959 C LEU A 60 4.022 -6.863 -5.627 1.00 73.04 C ATOM 960 O LEU A 60 2.973 -6.929 -4.981 1.00 32.22 O ATOM 961 CB LEU A 60 4.790 -4.993 -7.050 1.00 60.41 C ATOM 962 CG LEU A 60 5.235 -4.476 -8.415 1.00 32.35 C ATOM 963 CD1 LEU A 60 5.725 -3.041 -8.294 1.00 30.50 C ATOM 964 CD2 LEU A 60 6.332 -5.365 -8.985 1.00 62.12 C ATOM 0 H LEU A 60 2.061 -5.644 -6.886 1.00 30.04 H new ATOM 0 HA LEU A 60 4.523 -7.037 -7.707 1.00 73.11 H new ATOM 0 HB2 LEU A 60 4.157 -4.236 -6.586 1.00 60.41 H new ATOM 0 HB3 LEU A 60 5.673 -5.100 -6.420 1.00 60.41 H new ATOM 0 HG LEU A 60 4.383 -4.499 -9.095 1.00 32.35 H new ATOM 0 HD11 LEU A 60 6.041 -2.680 -9.273 1.00 30.50 H new ATOM 0 HD12 LEU A 60 4.918 -2.412 -7.918 1.00 30.50 H new ATOM 0 HD13 LEU A 60 6.568 -3.001 -7.604 1.00 30.50 H new ATOM 0 HD21 LEU A 60 6.640 -4.984 -9.959 1.00 62.12 H new ATOM 0 HD22 LEU A 60 7.187 -5.366 -8.309 1.00 62.12 H new ATOM 0 HD23 LEU A 60 5.956 -6.382 -9.096 1.00 62.12 H new ATOM 976 N SER A 61 5.196 -7.236 -5.148 1.00 70.45 N ATOM 977 CA SER A 61 5.371 -7.604 -3.758 1.00 4.53 C ATOM 978 C SER A 61 5.941 -6.423 -2.979 1.00 45.24 C ATOM 979 O SER A 61 6.969 -5.853 -3.354 1.00 62.24 O ATOM 980 CB SER A 61 6.294 -8.816 -3.636 1.00 60.02 C ATOM 981 OG SER A 61 5.746 -9.944 -4.297 1.00 63.43 O ATOM 0 H SER A 61 6.047 -7.291 -5.708 1.00 70.45 H new ATOM 0 HA SER A 61 4.400 -7.871 -3.340 1.00 4.53 H new ATOM 0 HB2 SER A 61 7.269 -8.579 -4.062 1.00 60.02 H new ATOM 0 HB3 SER A 61 6.455 -9.050 -2.584 1.00 60.02 H new ATOM 0 HG SER A 61 4.949 -9.674 -4.800 1.00 63.43 H new ATOM 987 N LEU A 62 5.275 -6.059 -1.898 1.00 54.43 N ATOM 988 CA LEU A 62 5.706 -4.940 -1.079 1.00 51.21 C ATOM 989 C LEU A 62 6.349 -5.459 0.198 1.00 41.31 C ATOM 990 O LEU A 62 5.978 -6.522 0.698 1.00 51.12 O ATOM 991 CB LEU A 62 4.509 -4.043 -0.745 1.00 61.21 C ATOM 992 CG LEU A 62 4.842 -2.750 0.005 1.00 41.32 C ATOM 993 CD1 LEU A 62 5.719 -1.845 -0.849 1.00 72.21 C ATOM 994 CD2 LEU A 62 3.566 -2.029 0.409 1.00 22.41 C ATOM 0 H LEU A 62 4.430 -6.524 -1.566 1.00 54.43 H new ATOM 0 HA LEU A 62 6.439 -4.351 -1.631 1.00 51.21 H new ATOM 0 HB2 LEU A 62 4.002 -3.783 -1.674 1.00 61.21 H new ATOM 0 HB3 LEU A 62 3.802 -4.618 -0.146 1.00 61.21 H new ATOM 0 HG LEU A 62 5.395 -3.008 0.908 1.00 41.32 H new ATOM 0 HD11 LEU A 62 5.944 -0.932 -0.298 1.00 72.21 H new ATOM 0 HD12 LEU A 62 6.648 -2.361 -1.091 1.00 72.21 H new ATOM 0 HD13 LEU A 62 5.194 -1.593 -1.770 1.00 72.21 H new ATOM 0 HD21 LEU A 62 3.819 -1.112 0.941 1.00 22.41 H new ATOM 0 HD22 LEU A 62 2.989 -1.784 -0.483 1.00 22.41 H new ATOM 0 HD23 LEU A 62 2.974 -2.674 1.059 1.00 22.41 H new ATOM 1006 N ARG A 63 7.323 -4.727 0.713 1.00 71.02 N ATOM 1007 CA ARG A 63 8.049 -5.162 1.889 1.00 32.21 C ATOM 1008 C ARG A 63 7.308 -4.787 3.161 1.00 62.20 C ATOM 1009 O ARG A 63 6.486 -3.871 3.174 1.00 50.35 O ATOM 1010 CB ARG A 63 9.445 -4.553 1.909 1.00 41.21 C ATOM 1011 CG ARG A 63 10.529 -5.547 2.277 1.00 23.34 C ATOM 1012 CD ARG A 63 10.485 -6.789 1.395 1.00 22.42 C ATOM 1013 NE ARG A 63 10.589 -6.465 -0.027 1.00 3.41 N ATOM 1014 CZ ARG A 63 11.304 -7.164 -0.904 1.00 1.13 C ATOM 1015 NH1 ARG A 63 11.939 -8.267 -0.524 1.00 32.03 N ATOM 1016 NH2 ARG A 63 11.357 -6.765 -2.167 1.00 71.24 N ATOM 0 H ARG A 63 7.627 -3.830 0.334 1.00 71.02 H new ATOM 0 HA ARG A 63 8.132 -6.248 1.844 1.00 32.21 H new ATOM 0 HB2 ARG A 63 9.665 -4.134 0.927 1.00 41.21 H new ATOM 0 HB3 ARG A 63 9.463 -3.727 2.620 1.00 41.21 H new ATOM 0 HG2 ARG A 63 11.505 -5.071 2.184 1.00 23.34 H new ATOM 0 HG3 ARG A 63 10.415 -5.839 3.321 1.00 23.34 H new ATOM 0 HD2 ARG A 63 11.299 -7.458 1.673 1.00 22.42 H new ATOM 0 HD3 ARG A 63 9.554 -7.327 1.575 1.00 22.42 H new ATOM 0 HE ARG A 63 10.080 -5.650 -0.369 1.00 3.41 H new ATOM 0 HH11 ARG A 63 11.880 -8.582 0.444 1.00 32.03 H new ATOM 0 HH12 ARG A 63 12.486 -8.799 -1.201 1.00 32.03 H new ATOM 0 HH21 ARG A 63 10.852 -5.928 -2.459 1.00 71.24 H new ATOM 0 HH22 ARG A 63 11.903 -7.295 -2.847 1.00 71.24 H new ATOM 1030 N LYS A 64 7.632 -5.498 4.223 1.00 4.14 N ATOM 1031 CA LYS A 64 7.010 -5.317 5.522 1.00 52.24 C ATOM 1032 C LYS A 64 7.285 -3.923 6.061 1.00 63.22 C ATOM 1033 O LYS A 64 6.371 -3.211 6.479 1.00 51.20 O ATOM 1034 CB LYS A 64 7.577 -6.372 6.461 1.00 53.11 C ATOM 1035 CG LYS A 64 6.888 -6.477 7.804 1.00 61.20 C ATOM 1036 CD LYS A 64 7.521 -7.591 8.611 1.00 44.42 C ATOM 1037 CE LYS A 64 6.811 -7.819 9.931 1.00 63.43 C ATOM 1038 NZ LYS A 64 7.361 -9.001 10.649 1.00 13.12 N ATOM 0 H LYS A 64 8.344 -6.228 4.209 1.00 4.14 H new ATOM 0 HA LYS A 64 5.929 -5.426 5.437 1.00 52.24 H new ATOM 0 HB2 LYS A 64 7.524 -7.342 5.966 1.00 53.11 H new ATOM 0 HB3 LYS A 64 8.632 -6.157 6.628 1.00 53.11 H new ATOM 0 HG2 LYS A 64 6.970 -5.532 8.342 1.00 61.20 H new ATOM 0 HG3 LYS A 64 5.825 -6.673 7.665 1.00 61.20 H new ATOM 0 HD2 LYS A 64 7.506 -8.512 8.029 1.00 44.42 H new ATOM 0 HD3 LYS A 64 8.567 -7.351 8.800 1.00 44.42 H new ATOM 0 HE2 LYS A 64 6.911 -6.932 10.557 1.00 63.43 H new ATOM 0 HE3 LYS A 64 5.746 -7.964 9.752 1.00 63.43 H new ATOM 0 HZ1 LYS A 64 6.865 -9.119 11.555 1.00 13.12 H new ATOM 0 HZ2 LYS A 64 7.227 -9.853 10.068 1.00 13.12 H new ATOM 0 HZ3 LYS A 64 8.376 -8.858 10.826 1.00 13.12 H new ATOM 1052 N SER A 65 8.551 -3.534 6.014 1.00 11.43 N ATOM 1053 CA SER A 65 8.979 -2.244 6.526 1.00 5.34 C ATOM 1054 C SER A 65 8.377 -1.113 5.705 1.00 14.13 C ATOM 1055 O SER A 65 7.913 -0.112 6.247 1.00 0.31 O ATOM 1056 CB SER A 65 10.505 -2.168 6.497 1.00 62.44 C ATOM 1057 OG SER A 65 11.002 -2.607 5.237 1.00 21.30 O ATOM 0 H SER A 65 9.304 -4.100 5.623 1.00 11.43 H new ATOM 0 HA SER A 65 8.631 -2.137 7.553 1.00 5.34 H new ATOM 0 HB2 SER A 65 10.828 -1.144 6.685 1.00 62.44 H new ATOM 0 HB3 SER A 65 10.921 -2.785 7.294 1.00 62.44 H new ATOM 0 HG SER A 65 11.980 -2.551 5.234 1.00 21.30 H new ATOM 1063 N ALA A 66 8.375 -1.291 4.390 1.00 43.43 N ATOM 1064 CA ALA A 66 7.814 -0.299 3.489 1.00 14.35 C ATOM 1065 C ALA A 66 6.321 -0.127 3.744 1.00 43.41 C ATOM 1066 O ALA A 66 5.816 0.991 3.781 1.00 5.44 O ATOM 1067 CB ALA A 66 8.063 -0.694 2.041 1.00 42.32 C ATOM 0 H ALA A 66 8.757 -2.115 3.926 1.00 43.43 H new ATOM 0 HA ALA A 66 8.308 0.654 3.678 1.00 14.35 H new ATOM 0 HB1 ALA A 66 7.636 0.060 1.380 1.00 42.32 H new ATOM 0 HB2 ALA A 66 9.136 -0.767 1.863 1.00 42.32 H new ATOM 0 HB3 ALA A 66 7.595 -1.658 1.841 1.00 42.32 H new ATOM 1073 N ALA A 67 5.631 -1.243 3.957 1.00 53.10 N ATOM 1074 CA ALA A 67 4.186 -1.231 4.144 1.00 44.10 C ATOM 1075 C ALA A 67 3.779 -0.467 5.404 1.00 40.34 C ATOM 1076 O ALA A 67 2.668 0.058 5.480 1.00 44.10 O ATOM 1077 CB ALA A 67 3.635 -2.653 4.184 1.00 73.34 C ATOM 0 H ALA A 67 6.052 -2.171 4.004 1.00 53.10 H new ATOM 0 HA ALA A 67 3.755 -0.710 3.289 1.00 44.10 H new ATOM 0 HB1 ALA A 67 2.555 -2.621 4.324 1.00 73.34 H new ATOM 0 HB2 ALA A 67 3.864 -3.159 3.246 1.00 73.34 H new ATOM 0 HB3 ALA A 67 4.092 -3.197 5.010 1.00 73.34 H new ATOM 1083 N GLU A 68 4.660 -0.398 6.393 1.00 53.40 N ATOM 1084 CA GLU A 68 4.337 0.317 7.621 1.00 10.13 C ATOM 1085 C GLU A 68 4.920 1.729 7.611 1.00 53.54 C ATOM 1086 O GLU A 68 4.705 2.510 8.536 1.00 63.44 O ATOM 1087 CB GLU A 68 4.792 -0.470 8.854 1.00 55.41 C ATOM 1088 CG GLU A 68 6.284 -0.733 8.939 1.00 75.30 C ATOM 1089 CD GLU A 68 6.621 -1.723 10.036 1.00 20.55 C ATOM 1090 OE1 GLU A 68 7.062 -2.844 9.714 1.00 64.13 O ATOM 1091 OE2 GLU A 68 6.410 -1.400 11.225 1.00 32.12 O ATOM 0 H GLU A 68 5.588 -0.820 6.372 1.00 53.40 H new ATOM 0 HA GLU A 68 3.253 0.413 7.674 1.00 10.13 H new ATOM 0 HB2 GLU A 68 4.484 0.074 9.747 1.00 55.41 H new ATOM 0 HB3 GLU A 68 4.269 -1.426 8.868 1.00 55.41 H new ATOM 0 HG2 GLU A 68 6.640 -1.116 7.983 1.00 75.30 H new ATOM 0 HG3 GLU A 68 6.808 0.205 9.123 1.00 75.30 H new ATOM 1099 N MET A 69 5.641 2.056 6.546 1.00 33.42 N ATOM 1100 CA MET A 69 6.145 3.410 6.358 1.00 13.14 C ATOM 1101 C MET A 69 5.216 4.193 5.439 1.00 0.14 C ATOM 1102 O MET A 69 5.344 5.407 5.287 1.00 22.34 O ATOM 1103 CB MET A 69 7.565 3.397 5.779 1.00 2.33 C ATOM 1104 CG MET A 69 8.615 2.881 6.749 1.00 22.23 C ATOM 1105 SD MET A 69 10.288 2.948 6.073 1.00 31.32 S ATOM 1106 CE MET A 69 11.225 2.273 7.441 1.00 52.41 C ATOM 0 H MET A 69 5.889 1.404 5.802 1.00 33.42 H new ATOM 0 HA MET A 69 6.179 3.895 7.333 1.00 13.14 H new ATOM 0 HB2 MET A 69 7.576 2.778 4.882 1.00 2.33 H new ATOM 0 HB3 MET A 69 7.832 4.408 5.472 1.00 2.33 H new ATOM 0 HG2 MET A 69 8.575 3.469 7.666 1.00 22.23 H new ATOM 0 HG3 MET A 69 8.378 1.852 7.019 1.00 22.23 H new ATOM 0 HE1 MET A 69 12.283 2.247 7.180 1.00 52.41 H new ATOM 0 HE2 MET A 69 11.084 2.898 8.322 1.00 52.41 H new ATOM 0 HE3 MET A 69 10.880 1.262 7.655 1.00 52.41 H new ATOM 1116 N ILE A 70 4.271 3.494 4.833 1.00 30.34 N ATOM 1117 CA ILE A 70 3.338 4.124 3.917 1.00 40.13 C ATOM 1118 C ILE A 70 2.084 4.596 4.649 1.00 52.32 C ATOM 1119 O ILE A 70 1.391 3.805 5.294 1.00 60.05 O ATOM 1120 CB ILE A 70 2.929 3.169 2.773 1.00 42.21 C ATOM 1121 CG1 ILE A 70 4.159 2.726 1.977 1.00 52.54 C ATOM 1122 CG2 ILE A 70 1.920 3.845 1.854 1.00 65.40 C ATOM 1123 CD1 ILE A 70 3.849 1.733 0.876 1.00 24.12 C ATOM 0 H ILE A 70 4.130 2.492 4.959 1.00 30.34 H new ATOM 0 HA ILE A 70 3.851 4.985 3.488 1.00 40.13 H new ATOM 0 HB ILE A 70 2.465 2.285 3.211 1.00 42.21 H new ATOM 0 HG12 ILE A 70 4.632 3.605 1.539 1.00 52.54 H new ATOM 0 HG13 ILE A 70 4.882 2.282 2.661 1.00 52.54 H new ATOM 0 HG21 ILE A 70 1.641 3.160 1.053 1.00 65.40 H new ATOM 0 HG22 ILE A 70 1.032 4.116 2.425 1.00 65.40 H new ATOM 0 HG23 ILE A 70 2.363 4.744 1.425 1.00 65.40 H new ATOM 0 HD11 ILE A 70 4.770 1.466 0.357 1.00 24.12 H new ATOM 0 HD12 ILE A 70 3.404 0.837 1.309 1.00 24.12 H new ATOM 0 HD13 ILE A 70 3.150 2.180 0.169 1.00 24.12 H new ATOM 1135 N GLU A 71 1.819 5.892 4.551 1.00 55.43 N ATOM 1136 CA GLU A 71 0.590 6.478 5.060 1.00 11.22 C ATOM 1137 C GLU A 71 -0.524 6.234 4.048 1.00 25.42 C ATOM 1138 O GLU A 71 -0.485 6.765 2.933 1.00 43.04 O ATOM 1139 CB GLU A 71 0.769 7.984 5.284 1.00 11.25 C ATOM 1140 CG GLU A 71 -0.451 8.671 5.878 1.00 42.53 C ATOM 1141 CD GLU A 71 -0.090 9.707 6.923 1.00 53.51 C ATOM 1142 OE1 GLU A 71 -0.591 10.848 6.827 1.00 5.13 O ATOM 1143 OE2 GLU A 71 0.708 9.398 7.826 1.00 51.22 O ATOM 0 H GLU A 71 2.451 6.565 4.116 1.00 55.43 H new ATOM 0 HA GLU A 71 0.335 6.017 6.014 1.00 11.22 H new ATOM 0 HB2 GLU A 71 1.621 8.144 5.945 1.00 11.25 H new ATOM 0 HB3 GLU A 71 1.011 8.456 4.332 1.00 11.25 H new ATOM 0 HG2 GLU A 71 -1.018 9.149 5.079 1.00 42.53 H new ATOM 0 HG3 GLU A 71 -1.103 7.921 6.326 1.00 42.53 H new ATOM 1151 N VAL A 72 -1.495 5.418 4.412 1.00 3.34 N ATOM 1152 CA VAL A 72 -2.567 5.079 3.491 1.00 73.42 C ATOM 1153 C VAL A 72 -3.928 5.469 4.033 1.00 34.54 C ATOM 1154 O VAL A 72 -4.099 5.702 5.230 1.00 31.42 O ATOM 1155 CB VAL A 72 -2.593 3.576 3.158 1.00 34.44 C ATOM 1156 CG1 VAL A 72 -1.370 3.190 2.350 1.00 41.02 C ATOM 1157 CG2 VAL A 72 -2.693 2.742 4.427 1.00 72.33 C ATOM 0 H VAL A 72 -1.565 4.980 5.330 1.00 3.34 H new ATOM 0 HA VAL A 72 -2.360 5.647 2.584 1.00 73.42 H new ATOM 0 HB VAL A 72 -3.478 3.373 2.554 1.00 34.44 H new ATOM 0 HG11 VAL A 72 -1.405 2.124 2.124 1.00 41.02 H new ATOM 0 HG12 VAL A 72 -1.354 3.758 1.420 1.00 41.02 H new ATOM 0 HG13 VAL A 72 -0.470 3.410 2.925 1.00 41.02 H new ATOM 0 HG21 VAL A 72 -2.710 1.684 4.166 1.00 72.33 H new ATOM 0 HG22 VAL A 72 -1.833 2.945 5.065 1.00 72.33 H new ATOM 0 HG23 VAL A 72 -3.608 2.999 4.960 1.00 72.33 H new ATOM 1167 N GLU A 73 -4.885 5.538 3.130 1.00 53.35 N ATOM 1168 CA GLU A 73 -6.269 5.769 3.481 1.00 14.11 C ATOM 1169 C GLU A 73 -7.090 4.553 3.086 1.00 41.32 C ATOM 1170 O GLU A 73 -6.986 4.063 1.958 1.00 34.40 O ATOM 1171 CB GLU A 73 -6.803 7.009 2.762 1.00 51.53 C ATOM 1172 CG GLU A 73 -8.251 7.340 3.089 1.00 73.20 C ATOM 1173 CD GLU A 73 -8.433 7.816 4.514 1.00 1.01 C ATOM 1174 OE1 GLU A 73 -8.732 6.983 5.397 1.00 24.43 O ATOM 1175 OE2 GLU A 73 -8.275 9.029 4.756 1.00 11.14 O ATOM 0 H GLU A 73 -4.723 5.435 2.128 1.00 53.35 H new ATOM 0 HA GLU A 73 -6.344 5.934 4.556 1.00 14.11 H new ATOM 0 HB2 GLU A 73 -6.178 7.864 3.022 1.00 51.53 H new ATOM 0 HB3 GLU A 73 -6.709 6.861 1.686 1.00 51.53 H new ATOM 0 HG2 GLU A 73 -8.607 8.110 2.405 1.00 73.20 H new ATOM 0 HG3 GLU A 73 -8.868 6.457 2.924 1.00 73.20 H new ATOM 1183 N LEU A 74 -7.886 4.059 4.010 1.00 61.33 N ATOM 1184 CA LEU A 74 -8.767 2.945 3.724 1.00 14.02 C ATOM 1185 C LEU A 74 -10.001 3.486 3.021 1.00 23.42 C ATOM 1186 O LEU A 74 -10.798 4.204 3.625 1.00 24.34 O ATOM 1187 CB LEU A 74 -9.150 2.220 5.025 1.00 21.34 C ATOM 1188 CG LEU A 74 -9.576 0.751 4.880 1.00 34.02 C ATOM 1189 CD1 LEU A 74 -10.886 0.620 4.115 1.00 42.41 C ATOM 1190 CD2 LEU A 74 -8.478 -0.046 4.196 1.00 63.30 C ATOM 0 H LEU A 74 -7.942 4.411 4.966 1.00 61.33 H new ATOM 0 HA LEU A 74 -8.266 2.222 3.081 1.00 14.02 H new ATOM 0 HB2 LEU A 74 -8.300 2.265 5.706 1.00 21.34 H new ATOM 0 HB3 LEU A 74 -9.965 2.769 5.496 1.00 21.34 H new ATOM 0 HG LEU A 74 -9.739 0.348 5.880 1.00 34.02 H new ATOM 0 HD11 LEU A 74 -11.155 -0.433 4.032 1.00 42.41 H new ATOM 0 HD12 LEU A 74 -11.673 1.155 4.647 1.00 42.41 H new ATOM 0 HD13 LEU A 74 -10.769 1.044 3.118 1.00 42.41 H new ATOM 0 HD21 LEU A 74 -8.790 -1.086 4.098 1.00 63.30 H new ATOM 0 HD22 LEU A 74 -8.288 0.371 3.207 1.00 63.30 H new ATOM 0 HD23 LEU A 74 -7.567 0.005 4.792 1.00 63.30 H new