USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 552 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 48 MET CE :methyl -148:sc= -0.657 (180deg=-2.22!) USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl -152:sc= -0.132 (180deg=-1.09) USER MOD Single : A 7 LYS NZ :NH3+ -131:sc= -1.51 (180deg=-4.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= -0.0921 (180deg=-0.519) USER MOD Single : A 28 THR OG1 : rot -160:sc= -2.52 USER MOD Single : A 32 LYS NZ :NH3+ -156:sc= -0.0207 (180deg=-0.207) USER MOD Single : A 35 LYS NZ :NH3+ -152:sc= -0.0518 (180deg=-0.439) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= -0.158 (180deg=-0.709) USER MOD Single : A 55 ASN : amide:sc= -0.0436 K(o=-0.044,f=-1.9) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.244 K(o=-0.24,f=-3.4!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 13.612 7.058 6.856 1.00 5.23 N ATOM 2 CA GLY A -2 14.422 7.431 8.000 1.00 24.25 C ATOM 3 C GLY A -2 13.862 6.902 9.306 1.00 61.30 C ATOM 4 O GLY A -2 13.110 7.593 9.992 1.00 25.21 O ATOM 0 H1 GLY A -2 14.037 7.444 5.989 1.00 5.23 H new ATOM 0 H2 GLY A -2 13.565 6.021 6.787 1.00 5.23 H new ATOM 0 H3 GLY A -2 12.652 7.441 6.971 1.00 5.23 H new ATOM 0 HA2 GLY A -2 15.435 7.052 7.863 1.00 24.25 H new ATOM 0 HA3 GLY A -2 14.492 8.517 8.052 1.00 24.25 H new ATOM 8 N SER A -1 14.228 5.671 9.649 1.00 14.35 N ATOM 9 CA SER A -1 13.752 5.047 10.878 1.00 1.54 C ATOM 10 C SER A -1 14.869 4.257 11.554 1.00 10.24 C ATOM 11 O SER A -1 15.621 3.538 10.897 1.00 75.32 O ATOM 12 CB SER A -1 12.567 4.125 10.582 1.00 71.35 C ATOM 13 OG SER A -1 11.355 4.857 10.519 1.00 74.42 O ATOM 0 H SER A -1 14.852 5.086 9.093 1.00 14.35 H new ATOM 0 HA SER A -1 13.428 5.837 11.555 1.00 1.54 H new ATOM 0 HB2 SER A -1 12.732 3.607 9.637 1.00 71.35 H new ATOM 0 HB3 SER A -1 12.494 3.361 11.356 1.00 71.35 H new ATOM 0 HG SER A -1 10.613 4.246 10.327 1.00 74.42 H new ATOM 19 N HIS A 0 14.969 4.397 12.872 1.00 10.22 N ATOM 20 CA HIS A 0 15.993 3.697 13.639 1.00 71.41 C ATOM 21 C HIS A 0 15.951 2.197 13.359 1.00 30.42 C ATOM 22 O HIS A 0 16.990 1.548 13.246 1.00 33.25 O ATOM 23 CB HIS A 0 15.806 3.954 15.135 1.00 54.14 C ATOM 24 CG HIS A 0 17.057 3.766 15.935 1.00 24.54 C ATOM 25 ND1 HIS A 0 17.477 2.538 16.399 1.00 33.34 N ATOM 26 CD2 HIS A 0 17.983 4.661 16.354 1.00 33.25 C ATOM 27 CE1 HIS A 0 18.605 2.685 17.070 1.00 75.51 C ATOM 28 NE2 HIS A 0 18.934 3.963 17.057 1.00 60.42 N ATOM 0 H HIS A 0 14.354 4.988 13.431 1.00 10.22 H new ATOM 0 HA HIS A 0 16.966 4.079 13.332 1.00 71.41 H new ATOM 0 HB2 HIS A 0 15.443 4.972 15.278 1.00 54.14 H new ATOM 0 HB3 HIS A 0 15.036 3.284 15.517 1.00 54.14 H new ATOM 0 HD2 HIS A 0 17.975 5.725 16.170 1.00 33.25 H new ATOM 0 HE1 HIS A 0 19.163 1.894 17.548 1.00 75.51 H new ATOM 0 HE2 HIS A 0 19.761 4.367 17.498 1.00 60.42 H new ATOM 36 N MET A 1 14.743 1.655 13.250 1.00 52.35 N ATOM 37 CA MET A 1 14.566 0.232 12.983 1.00 13.03 C ATOM 38 C MET A 1 14.661 -0.057 11.488 1.00 23.31 C ATOM 39 O MET A 1 14.348 0.798 10.659 1.00 1.32 O ATOM 40 CB MET A 1 13.216 -0.246 13.522 1.00 72.10 C ATOM 41 CG MET A 1 13.204 -1.716 13.911 1.00 45.33 C ATOM 42 SD MET A 1 11.538 -2.343 14.198 1.00 20.03 S ATOM 43 CE MET A 1 11.870 -4.086 14.441 1.00 21.02 C ATOM 0 H MET A 1 13.873 2.179 13.342 1.00 52.35 H new ATOM 0 HA MET A 1 15.364 -0.309 13.491 1.00 13.03 H new ATOM 0 HB2 MET A 1 12.948 0.354 14.392 1.00 72.10 H new ATOM 0 HB3 MET A 1 12.450 -0.072 12.766 1.00 72.10 H new ATOM 0 HG2 MET A 1 13.678 -2.301 13.122 1.00 45.33 H new ATOM 0 HG3 MET A 1 13.801 -1.854 14.813 1.00 45.33 H new ATOM 0 HE1 MET A 1 10.934 -4.612 14.630 1.00 21.02 H new ATOM 0 HE2 MET A 1 12.342 -4.495 13.547 1.00 21.02 H new ATOM 0 HE3 MET A 1 12.537 -4.214 15.294 1.00 21.02 H new ATOM 53 N VAL A 2 15.095 -1.267 11.149 1.00 23.12 N ATOM 54 CA VAL A 2 15.229 -1.669 9.755 1.00 62.33 C ATOM 55 C VAL A 2 13.885 -1.624 9.037 1.00 25.44 C ATOM 56 O VAL A 2 12.846 -1.921 9.626 1.00 32.53 O ATOM 57 CB VAL A 2 15.817 -3.087 9.633 1.00 21.34 C ATOM 58 CG1 VAL A 2 14.864 -4.112 10.228 1.00 74.41 C ATOM 59 CG2 VAL A 2 16.126 -3.413 8.180 1.00 41.35 C ATOM 0 H VAL A 2 15.360 -1.986 11.822 1.00 23.12 H new ATOM 0 HA VAL A 2 15.911 -0.960 9.286 1.00 62.33 H new ATOM 0 HB VAL A 2 16.750 -3.125 10.195 1.00 21.34 H new ATOM 0 HG11 VAL A 2 15.296 -5.108 10.133 1.00 74.41 H new ATOM 0 HG12 VAL A 2 14.699 -3.887 11.282 1.00 74.41 H new ATOM 0 HG13 VAL A 2 13.913 -4.076 9.696 1.00 74.41 H new ATOM 0 HG21 VAL A 2 16.541 -4.419 8.113 1.00 41.35 H new ATOM 0 HG22 VAL A 2 15.210 -3.358 7.592 1.00 41.35 H new ATOM 0 HG23 VAL A 2 16.849 -2.696 7.792 1.00 41.35 H new ATOM 69 N GLU A 3 13.914 -1.251 7.761 1.00 25.04 N ATOM 70 CA GLU A 3 12.696 -1.167 6.964 1.00 22.02 C ATOM 71 C GLU A 3 12.352 -2.522 6.351 1.00 31.54 C ATOM 72 O GLU A 3 13.048 -3.005 5.459 1.00 15.12 O ATOM 73 CB GLU A 3 12.854 -0.121 5.858 1.00 35.45 C ATOM 74 CG GLU A 3 13.440 1.194 6.344 1.00 11.14 C ATOM 75 CD GLU A 3 14.952 1.230 6.251 1.00 20.33 C ATOM 76 OE1 GLU A 3 15.505 0.604 5.322 1.00 12.25 O ATOM 77 OE2 GLU A 3 15.584 1.884 7.107 1.00 70.44 O ATOM 0 H GLU A 3 14.766 -1.003 7.258 1.00 25.04 H new ATOM 0 HA GLU A 3 11.881 -0.868 7.624 1.00 22.02 H new ATOM 0 HB2 GLU A 3 13.494 -0.527 5.074 1.00 35.45 H new ATOM 0 HB3 GLU A 3 11.880 0.069 5.407 1.00 35.45 H new ATOM 0 HG2 GLU A 3 13.024 2.012 5.756 1.00 11.14 H new ATOM 0 HG3 GLU A 3 13.140 1.361 7.378 1.00 11.14 H new ATOM 84 N MET A 4 11.275 -3.129 6.839 1.00 13.14 N ATOM 85 CA MET A 4 10.839 -4.428 6.339 1.00 50.20 C ATOM 86 C MET A 4 9.955 -4.267 5.106 1.00 2.44 C ATOM 87 O MET A 4 9.908 -5.146 4.246 1.00 71.53 O ATOM 88 CB MET A 4 10.081 -5.189 7.429 1.00 43.23 C ATOM 89 CG MET A 4 8.940 -4.395 8.043 1.00 5.14 C ATOM 90 SD MET A 4 9.329 -3.785 9.695 1.00 1.14 S ATOM 91 CE MET A 4 8.853 -5.192 10.696 1.00 34.32 C ATOM 0 H MET A 4 10.689 -2.743 7.579 1.00 13.14 H new ATOM 0 HA MET A 4 11.725 -4.997 6.057 1.00 50.20 H new ATOM 0 HB2 MET A 4 9.684 -6.112 7.007 1.00 43.23 H new ATOM 0 HB3 MET A 4 10.780 -5.473 8.216 1.00 43.23 H new ATOM 0 HG2 MET A 4 8.700 -3.552 7.396 1.00 5.14 H new ATOM 0 HG3 MET A 4 8.050 -5.023 8.092 1.00 5.14 H new ATOM 0 HE1 MET A 4 9.035 -4.969 11.747 1.00 34.32 H new ATOM 0 HE2 MET A 4 7.794 -5.403 10.547 1.00 34.32 H new ATOM 0 HE3 MET A 4 9.441 -6.062 10.403 1.00 34.32 H new ATOM 101 N ARG A 5 9.255 -3.140 5.029 1.00 51.01 N ATOM 102 CA ARG A 5 8.370 -2.867 3.902 1.00 24.53 C ATOM 103 C ARG A 5 7.788 -1.460 3.998 1.00 1.43 C ATOM 104 O ARG A 5 7.768 -0.858 5.072 1.00 63.25 O ATOM 105 CB ARG A 5 7.241 -3.896 3.851 1.00 11.50 C ATOM 106 CG ARG A 5 6.685 -4.260 5.217 1.00 21.14 C ATOM 107 CD ARG A 5 5.972 -3.081 5.861 1.00 44.30 C ATOM 108 NE ARG A 5 4.810 -3.502 6.639 1.00 74.13 N ATOM 109 CZ ARG A 5 3.815 -2.688 6.973 1.00 41.50 C ATOM 110 NH1 ARG A 5 3.841 -1.416 6.599 1.00 1.14 N ATOM 111 NH2 ARG A 5 2.791 -3.145 7.683 1.00 52.23 N ATOM 0 H ARG A 5 9.283 -2.402 5.732 1.00 51.01 H new ATOM 0 HA ARG A 5 8.956 -2.938 2.986 1.00 24.53 H new ATOM 0 HB2 ARG A 5 6.433 -3.506 3.232 1.00 11.50 H new ATOM 0 HB3 ARG A 5 7.607 -4.800 3.365 1.00 11.50 H new ATOM 0 HG2 ARG A 5 5.992 -5.096 5.118 1.00 21.14 H new ATOM 0 HG3 ARG A 5 7.496 -4.594 5.864 1.00 21.14 H new ATOM 0 HD2 ARG A 5 6.667 -2.547 6.508 1.00 44.30 H new ATOM 0 HD3 ARG A 5 5.656 -2.382 5.087 1.00 44.30 H new ATOM 0 HE ARG A 5 4.760 -4.474 6.943 1.00 74.13 H new ATOM 0 HH11 ARG A 5 4.626 -1.061 6.054 1.00 1.14 H new ATOM 0 HH12 ARG A 5 3.076 -0.793 6.857 1.00 1.14 H new ATOM 0 HH21 ARG A 5 2.767 -4.123 7.973 1.00 52.23 H new ATOM 0 HH22 ARG A 5 2.028 -2.519 7.939 1.00 52.23 H new ATOM 125 N MET A 6 7.315 -0.942 2.870 1.00 15.33 N ATOM 126 CA MET A 6 6.730 0.393 2.828 1.00 71.54 C ATOM 127 C MET A 6 6.139 0.685 1.452 1.00 71.22 C ATOM 128 O MET A 6 6.018 -0.209 0.614 1.00 33.50 O ATOM 129 CB MET A 6 7.784 1.445 3.176 1.00 64.21 C ATOM 130 CG MET A 6 8.821 1.653 2.083 1.00 0.42 C ATOM 131 SD MET A 6 10.485 1.879 2.738 1.00 3.30 S ATOM 132 CE MET A 6 10.171 3.033 4.072 1.00 51.25 C ATOM 0 H MET A 6 7.325 -1.426 1.972 1.00 15.33 H new ATOM 0 HA MET A 6 5.928 0.434 3.565 1.00 71.54 H new ATOM 0 HB2 MET A 6 7.286 2.393 3.378 1.00 64.21 H new ATOM 0 HB3 MET A 6 8.291 1.149 4.095 1.00 64.21 H new ATOM 0 HG2 MET A 6 8.813 0.794 1.412 1.00 0.42 H new ATOM 0 HG3 MET A 6 8.547 2.525 1.489 1.00 0.42 H new ATOM 0 HE1 MET A 6 11.060 3.639 4.245 1.00 51.25 H new ATOM 0 HE2 MET A 6 9.336 3.681 3.804 1.00 51.25 H new ATOM 0 HE3 MET A 6 9.925 2.482 4.980 1.00 51.25 H new ATOM 142 N LYS A 7 5.772 1.941 1.224 1.00 24.02 N ATOM 143 CA LYS A 7 5.194 2.352 -0.049 1.00 63.44 C ATOM 144 C LYS A 7 5.930 3.562 -0.616 1.00 43.22 C ATOM 145 O LYS A 7 6.760 4.171 0.061 1.00 12.13 O ATOM 146 CB LYS A 7 3.709 2.679 0.121 1.00 3.13 C ATOM 147 CG LYS A 7 3.424 3.624 1.276 1.00 41.21 C ATOM 148 CD LYS A 7 2.129 3.265 1.984 1.00 20.14 C ATOM 149 CE LYS A 7 0.946 3.282 1.027 1.00 23.20 C ATOM 150 NZ LYS A 7 -0.326 2.918 1.711 1.00 60.03 N ATOM 0 H LYS A 7 5.865 2.694 1.906 1.00 24.02 H new ATOM 0 HA LYS A 7 5.299 1.524 -0.750 1.00 63.44 H new ATOM 0 HB2 LYS A 7 3.335 3.123 -0.802 1.00 3.13 H new ATOM 0 HB3 LYS A 7 3.157 1.752 0.276 1.00 3.13 H new ATOM 0 HG2 LYS A 7 4.250 3.590 1.987 1.00 41.21 H new ATOM 0 HG3 LYS A 7 3.365 4.647 0.904 1.00 41.21 H new ATOM 0 HD2 LYS A 7 2.221 2.276 2.433 1.00 20.14 H new ATOM 0 HD3 LYS A 7 1.951 3.969 2.797 1.00 20.14 H new ATOM 0 HE2 LYS A 7 0.850 4.274 0.586 1.00 23.20 H new ATOM 0 HE3 LYS A 7 1.131 2.586 0.209 1.00 23.20 H new ATOM 0 HZ1 LYS A 7 -0.822 2.191 1.157 1.00 60.03 H new ATOM 0 HZ2 LYS A 7 -0.116 2.547 2.660 1.00 60.03 H new ATOM 0 HZ3 LYS A 7 -0.929 3.761 1.795 1.00 60.03 H new ATOM 164 N LYS A 8 5.620 3.909 -1.861 1.00 22.40 N ATOM 165 CA LYS A 8 6.249 5.049 -2.518 1.00 33.22 C ATOM 166 C LYS A 8 5.232 5.829 -3.343 1.00 63.42 C ATOM 167 O LYS A 8 4.269 5.261 -3.860 1.00 73.40 O ATOM 168 CB LYS A 8 7.396 4.577 -3.414 1.00 42.25 C ATOM 169 CG LYS A 8 8.146 5.712 -4.089 1.00 62.34 C ATOM 170 CD LYS A 8 9.197 5.190 -5.055 1.00 50.42 C ATOM 171 CE LYS A 8 8.582 4.802 -6.391 1.00 70.03 C ATOM 172 NZ LYS A 8 9.308 3.668 -7.028 1.00 3.23 N ATOM 0 H LYS A 8 4.936 3.416 -2.436 1.00 22.40 H new ATOM 0 HA LYS A 8 6.647 5.709 -1.747 1.00 33.22 H new ATOM 0 HB2 LYS A 8 8.097 3.994 -2.816 1.00 42.25 H new ATOM 0 HB3 LYS A 8 6.998 3.910 -4.179 1.00 42.25 H new ATOM 0 HG2 LYS A 8 7.441 6.347 -4.626 1.00 62.34 H new ATOM 0 HG3 LYS A 8 8.623 6.335 -3.332 1.00 62.34 H new ATOM 0 HD2 LYS A 8 9.959 5.953 -5.212 1.00 50.42 H new ATOM 0 HD3 LYS A 8 9.697 4.325 -4.618 1.00 50.42 H new ATOM 0 HE2 LYS A 8 7.537 4.527 -6.244 1.00 70.03 H new ATOM 0 HE3 LYS A 8 8.594 5.663 -7.060 1.00 70.03 H new ATOM 0 HZ1 LYS A 8 8.858 3.434 -7.936 1.00 3.23 H new ATOM 0 HZ2 LYS A 8 10.299 3.938 -7.192 1.00 3.23 H new ATOM 0 HZ3 LYS A 8 9.275 2.839 -6.401 1.00 3.23 H new ATOM 186 N CYS A 9 5.453 7.134 -3.464 1.00 54.21 N ATOM 187 CA CYS A 9 4.555 7.994 -4.229 1.00 12.12 C ATOM 188 C CYS A 9 4.710 7.746 -5.726 1.00 5.22 C ATOM 189 O CYS A 9 5.768 7.978 -6.312 1.00 12.52 O ATOM 190 CB CYS A 9 4.830 9.464 -3.911 1.00 3.03 C ATOM 191 SG CYS A 9 3.676 10.616 -4.693 1.00 20.44 S ATOM 0 H CYS A 9 6.245 7.619 -3.043 1.00 54.21 H new ATOM 0 HA CYS A 9 3.531 7.754 -3.944 1.00 12.12 H new ATOM 0 HB2 CYS A 9 4.791 9.605 -2.831 1.00 3.03 H new ATOM 0 HB3 CYS A 9 5.843 9.710 -4.228 1.00 3.03 H new ATOM 196 N PRO A 10 3.631 7.264 -6.360 1.00 54.10 N ATOM 197 CA PRO A 10 3.622 6.973 -7.797 1.00 31.41 C ATOM 198 C PRO A 10 3.676 8.239 -8.645 1.00 1.13 C ATOM 199 O PRO A 10 3.779 8.175 -9.870 1.00 51.43 O ATOM 200 CB PRO A 10 2.291 6.247 -8.004 1.00 33.14 C ATOM 201 CG PRO A 10 1.422 6.725 -6.893 1.00 11.13 C ATOM 202 CD PRO A 10 2.338 6.964 -5.725 1.00 4.34 C ATOM 0 HA PRO A 10 4.492 6.391 -8.100 1.00 31.41 H new ATOM 0 HB2 PRO A 10 1.858 6.484 -8.976 1.00 33.14 H new ATOM 0 HB3 PRO A 10 2.420 5.165 -7.968 1.00 33.14 H new ATOM 0 HG2 PRO A 10 0.899 7.640 -7.172 1.00 11.13 H new ATOM 0 HG3 PRO A 10 0.661 5.985 -6.647 1.00 11.13 H new ATOM 0 HD2 PRO A 10 1.992 7.792 -5.107 1.00 4.34 H new ATOM 0 HD3 PRO A 10 2.401 6.089 -5.079 1.00 4.34 H new ATOM 210 N LYS A 11 3.606 9.390 -7.986 1.00 2.35 N ATOM 211 CA LYS A 11 3.647 10.673 -8.677 1.00 14.20 C ATOM 212 C LYS A 11 5.066 11.231 -8.703 1.00 65.22 C ATOM 213 O LYS A 11 5.540 11.701 -9.738 1.00 64.02 O ATOM 214 CB LYS A 11 2.707 11.672 -8.000 1.00 43.43 C ATOM 215 CG LYS A 11 1.525 12.077 -8.865 1.00 23.22 C ATOM 216 CD LYS A 11 0.520 10.946 -9.000 1.00 14.53 C ATOM 217 CE LYS A 11 0.272 10.592 -10.458 1.00 43.42 C ATOM 218 NZ LYS A 11 -0.667 9.444 -10.599 1.00 21.44 N ATOM 0 H LYS A 11 3.520 9.461 -6.972 1.00 2.35 H new ATOM 0 HA LYS A 11 3.318 10.514 -9.704 1.00 14.20 H new ATOM 0 HB2 LYS A 11 2.335 11.237 -7.072 1.00 43.43 H new ATOM 0 HB3 LYS A 11 3.272 12.564 -7.730 1.00 43.43 H new ATOM 0 HG2 LYS A 11 1.037 12.949 -8.430 1.00 23.22 H new ATOM 0 HG3 LYS A 11 1.880 12.370 -9.853 1.00 23.22 H new ATOM 0 HD2 LYS A 11 0.886 10.068 -8.468 1.00 14.53 H new ATOM 0 HD3 LYS A 11 -0.420 11.235 -8.530 1.00 14.53 H new ATOM 0 HE2 LYS A 11 -0.134 11.459 -10.978 1.00 43.42 H new ATOM 0 HE3 LYS A 11 1.219 10.347 -10.938 1.00 43.42 H new ATOM 0 HZ1 LYS A 11 -0.810 9.234 -11.608 1.00 21.44 H new ATOM 0 HZ2 LYS A 11 -0.268 8.609 -10.125 1.00 21.44 H new ATOM 0 HZ3 LYS A 11 -1.580 9.686 -10.163 1.00 21.44 H new ATOM 232 N CYS A 12 5.740 11.175 -7.559 1.00 43.54 N ATOM 233 CA CYS A 12 7.106 11.675 -7.451 1.00 64.04 C ATOM 234 C CYS A 12 8.098 10.524 -7.332 1.00 51.11 C ATOM 235 O CYS A 12 9.028 10.408 -8.128 1.00 64.55 O ATOM 236 CB CYS A 12 7.237 12.605 -6.243 1.00 34.21 C ATOM 237 SG CYS A 12 5.851 13.746 -6.036 1.00 63.01 S ATOM 0 H CYS A 12 5.363 10.788 -6.694 1.00 43.54 H new ATOM 0 HA CYS A 12 7.335 12.235 -8.358 1.00 64.04 H new ATOM 0 HB2 CYS A 12 7.333 12.000 -5.341 1.00 34.21 H new ATOM 0 HB3 CYS A 12 8.157 13.182 -6.340 1.00 34.21 H new ATOM 242 N GLY A 13 7.894 9.673 -6.330 1.00 42.50 N ATOM 243 CA GLY A 13 8.779 8.543 -6.125 1.00 33.35 C ATOM 244 C GLY A 13 9.443 8.566 -4.762 1.00 24.00 C ATOM 245 O GLY A 13 10.556 8.065 -4.596 1.00 52.52 O ATOM 0 H GLY A 13 7.131 9.747 -5.657 1.00 42.50 H new ATOM 0 HA2 GLY A 13 8.213 7.618 -6.234 1.00 33.35 H new ATOM 0 HA3 GLY A 13 9.546 8.541 -6.899 1.00 33.35 H new ATOM 249 N LEU A 14 8.761 9.153 -3.784 1.00 62.33 N ATOM 250 CA LEU A 14 9.292 9.242 -2.428 1.00 24.21 C ATOM 251 C LEU A 14 8.803 8.078 -1.574 1.00 34.15 C ATOM 252 O LEU A 14 7.612 7.765 -1.555 1.00 22.51 O ATOM 253 CB LEU A 14 8.883 10.568 -1.785 1.00 42.24 C ATOM 254 CG LEU A 14 8.839 10.588 -0.257 1.00 64.05 C ATOM 255 CD1 LEU A 14 10.221 10.321 0.319 1.00 3.13 C ATOM 256 CD2 LEU A 14 8.299 11.920 0.244 1.00 40.54 C ATOM 0 H LEU A 14 7.840 9.574 -3.905 1.00 62.33 H new ATOM 0 HA LEU A 14 10.379 9.194 -2.487 1.00 24.21 H new ATOM 0 HB2 LEU A 14 9.577 11.340 -2.119 1.00 42.24 H new ATOM 0 HB3 LEU A 14 7.897 10.842 -2.160 1.00 42.24 H new ATOM 0 HG LEU A 14 8.168 9.797 0.079 1.00 64.05 H new ATOM 0 HD11 LEU A 14 10.171 10.339 1.408 1.00 3.13 H new ATOM 0 HD12 LEU A 14 10.571 9.343 -0.012 1.00 3.13 H new ATOM 0 HD13 LEU A 14 10.913 11.089 -0.025 1.00 3.13 H new ATOM 0 HD21 LEU A 14 8.275 11.916 1.334 1.00 40.54 H new ATOM 0 HD22 LEU A 14 8.944 12.727 -0.102 1.00 40.54 H new ATOM 0 HD23 LEU A 14 7.290 12.072 -0.141 1.00 40.54 H new ATOM 268 N TYR A 15 9.729 7.440 -0.866 1.00 72.15 N ATOM 269 CA TYR A 15 9.391 6.309 -0.010 1.00 23.32 C ATOM 270 C TYR A 15 8.889 6.786 1.350 1.00 63.43 C ATOM 271 O TYR A 15 9.359 7.793 1.881 1.00 71.51 O ATOM 272 CB TYR A 15 10.609 5.401 0.174 1.00 1.13 C ATOM 273 CG TYR A 15 10.813 4.425 -0.962 1.00 52.41 C ATOM 274 CD1 TYR A 15 10.096 3.236 -1.020 1.00 51.41 C ATOM 275 CD2 TYR A 15 11.723 4.691 -1.978 1.00 72.20 C ATOM 276 CE1 TYR A 15 10.279 2.341 -2.056 1.00 31.53 C ATOM 277 CE2 TYR A 15 11.913 3.802 -3.018 1.00 1.40 C ATOM 278 CZ TYR A 15 11.188 2.628 -3.053 1.00 62.00 C ATOM 279 OH TYR A 15 11.374 1.739 -4.087 1.00 64.34 O ATOM 0 H TYR A 15 10.719 7.687 -0.868 1.00 72.15 H new ATOM 0 HA TYR A 15 8.594 5.745 -0.494 1.00 23.32 H new ATOM 0 HB2 TYR A 15 11.501 6.019 0.275 1.00 1.13 H new ATOM 0 HB3 TYR A 15 10.500 4.845 1.105 1.00 1.13 H new ATOM 0 HD1 TYR A 15 9.383 3.008 -0.241 1.00 51.41 H new ATOM 0 HD2 TYR A 15 12.292 5.609 -1.954 1.00 72.20 H new ATOM 0 HE1 TYR A 15 9.713 1.421 -2.085 1.00 31.53 H new ATOM 0 HE2 TYR A 15 12.625 4.024 -3.799 1.00 1.40 H new ATOM 0 HH TYR A 15 12.048 2.092 -4.705 1.00 64.34 H new ATOM 289 N THR A 16 7.930 6.056 1.909 1.00 15.00 N ATOM 290 CA THR A 16 7.363 6.402 3.205 1.00 4.52 C ATOM 291 C THR A 16 6.366 5.345 3.670 1.00 4.21 C ATOM 292 O THR A 16 6.121 4.359 2.974 1.00 61.35 O ATOM 293 CB THR A 16 6.658 7.771 3.162 1.00 5.32 C ATOM 294 OG1 THR A 16 6.272 8.165 4.483 1.00 1.20 O ATOM 295 CG2 THR A 16 5.432 7.721 2.263 1.00 4.51 C ATOM 0 H THR A 16 7.529 5.220 1.483 1.00 15.00 H new ATOM 0 HA THR A 16 8.193 6.450 3.910 1.00 4.52 H new ATOM 0 HB THR A 16 7.357 8.502 2.755 1.00 5.32 H new ATOM 0 HG1 THR A 16 5.826 9.037 4.447 1.00 1.20 H new ATOM 0 HG21 THR A 16 4.951 8.699 2.249 1.00 4.51 H new ATOM 0 HG22 THR A 16 5.734 7.450 1.251 1.00 4.51 H new ATOM 0 HG23 THR A 16 4.732 6.978 2.644 1.00 4.51 H new ATOM 303 N LEU A 17 5.793 5.557 4.849 1.00 21.30 N ATOM 304 CA LEU A 17 4.822 4.623 5.407 1.00 31.10 C ATOM 305 C LEU A 17 3.562 5.353 5.861 1.00 62.22 C ATOM 306 O LEU A 17 2.644 4.746 6.413 1.00 41.31 O ATOM 307 CB LEU A 17 5.435 3.861 6.584 1.00 54.43 C ATOM 308 CG LEU A 17 6.379 2.714 6.221 1.00 74.43 C ATOM 309 CD1 LEU A 17 7.438 2.534 7.298 1.00 73.13 C ATOM 310 CD2 LEU A 17 5.598 1.424 6.018 1.00 4.01 C ATOM 0 H LEU A 17 5.984 6.368 5.437 1.00 21.30 H new ATOM 0 HA LEU A 17 4.548 3.914 4.626 1.00 31.10 H new ATOM 0 HB2 LEU A 17 5.980 4.571 7.206 1.00 54.43 H new ATOM 0 HB3 LEU A 17 4.625 3.460 7.193 1.00 54.43 H new ATOM 0 HG LEU A 17 6.880 2.963 5.285 1.00 74.43 H new ATOM 0 HD11 LEU A 17 8.101 1.714 7.023 1.00 73.13 H new ATOM 0 HD12 LEU A 17 8.018 3.452 7.395 1.00 73.13 H new ATOM 0 HD13 LEU A 17 6.955 2.307 8.249 1.00 73.13 H new ATOM 0 HD21 LEU A 17 6.286 0.619 5.760 1.00 4.01 H new ATOM 0 HD22 LEU A 17 5.070 1.170 6.937 1.00 4.01 H new ATOM 0 HD23 LEU A 17 4.878 1.558 5.211 1.00 4.01 H new ATOM 322 N LYS A 18 3.523 6.660 5.623 1.00 24.44 N ATOM 323 CA LYS A 18 2.376 7.474 6.003 1.00 23.13 C ATOM 324 C LYS A 18 1.238 7.314 5.000 1.00 32.51 C ATOM 325 O LYS A 18 0.157 7.873 5.179 1.00 33.02 O ATOM 326 CB LYS A 18 2.779 8.947 6.101 1.00 20.13 C ATOM 327 CG LYS A 18 3.596 9.273 7.341 1.00 52.40 C ATOM 328 CD LYS A 18 2.726 9.845 8.447 1.00 54.11 C ATOM 329 CE LYS A 18 2.175 8.748 9.346 1.00 73.42 C ATOM 330 NZ LYS A 18 1.892 9.247 10.721 1.00 65.12 N ATOM 0 H LYS A 18 4.274 7.178 5.168 1.00 24.44 H new ATOM 0 HA LYS A 18 2.028 7.133 6.978 1.00 23.13 H new ATOM 0 HB2 LYS A 18 3.354 9.217 5.216 1.00 20.13 H new ATOM 0 HB3 LYS A 18 1.879 9.562 6.097 1.00 20.13 H new ATOM 0 HG2 LYS A 18 4.093 8.371 7.698 1.00 52.40 H new ATOM 0 HG3 LYS A 18 4.378 9.988 7.085 1.00 52.40 H new ATOM 0 HD2 LYS A 18 3.309 10.547 9.043 1.00 54.11 H new ATOM 0 HD3 LYS A 18 1.901 10.407 8.009 1.00 54.11 H new ATOM 0 HE2 LYS A 18 1.260 8.347 8.910 1.00 73.42 H new ATOM 0 HE3 LYS A 18 2.890 7.927 9.398 1.00 73.42 H new ATOM 0 HZ1 LYS A 18 1.518 8.470 11.302 1.00 65.12 H new ATOM 0 HZ2 LYS A 18 2.770 9.607 11.147 1.00 65.12 H new ATOM 0 HZ3 LYS A 18 1.190 10.013 10.675 1.00 65.12 H new ATOM 344 N GLU A 19 1.489 6.544 3.946 1.00 65.24 N ATOM 345 CA GLU A 19 0.485 6.310 2.915 1.00 61.41 C ATOM 346 C GLU A 19 0.139 7.607 2.188 1.00 54.10 C ATOM 347 O GLU A 19 -0.804 7.654 1.397 1.00 24.30 O ATOM 348 CB GLU A 19 -0.778 5.705 3.531 1.00 54.02 C ATOM 349 CG GLU A 19 -0.506 4.502 4.420 1.00 63.43 C ATOM 350 CD GLU A 19 -1.611 3.467 4.356 1.00 21.00 C ATOM 351 OE1 GLU A 19 -2.777 3.856 4.134 1.00 75.43 O ATOM 352 OE2 GLU A 19 -1.310 2.267 4.528 1.00 43.32 O ATOM 0 H GLU A 19 2.379 6.072 3.784 1.00 65.24 H new ATOM 0 HA GLU A 19 0.900 5.608 2.192 1.00 61.41 H new ATOM 0 HB2 GLU A 19 -1.289 6.470 4.116 1.00 54.02 H new ATOM 0 HB3 GLU A 19 -1.456 5.409 2.731 1.00 54.02 H new ATOM 0 HG2 GLU A 19 0.436 4.041 4.123 1.00 63.43 H new ATOM 0 HG3 GLU A 19 -0.386 4.836 5.450 1.00 63.43 H new ATOM 359 N ILE A 20 0.907 8.655 2.463 1.00 3.01 N ATOM 360 CA ILE A 20 0.682 9.952 1.837 1.00 50.24 C ATOM 361 C ILE A 20 2.000 10.676 1.581 1.00 33.01 C ATOM 362 O ILE A 20 2.866 10.734 2.455 1.00 51.15 O ATOM 363 CB ILE A 20 -0.223 10.847 2.703 1.00 63.32 C ATOM 364 CG1 ILE A 20 -1.588 10.185 2.906 1.00 65.42 C ATOM 365 CG2 ILE A 20 -0.383 12.217 2.062 1.00 71.35 C ATOM 366 CD1 ILE A 20 -2.411 10.099 1.641 1.00 13.41 C ATOM 0 H ILE A 20 1.691 8.632 3.115 1.00 3.01 H new ATOM 0 HA ILE A 20 0.185 9.760 0.886 1.00 50.24 H new ATOM 0 HB ILE A 20 0.246 10.977 3.678 1.00 63.32 H new ATOM 0 HG12 ILE A 20 -1.440 9.181 3.303 1.00 65.42 H new ATOM 0 HG13 ILE A 20 -2.147 10.745 3.656 1.00 65.42 H new ATOM 0 HG21 ILE A 20 -1.026 12.838 2.686 1.00 71.35 H new ATOM 0 HG22 ILE A 20 0.594 12.689 1.964 1.00 71.35 H new ATOM 0 HG23 ILE A 20 -0.833 12.107 1.075 1.00 71.35 H new ATOM 0 HD11 ILE A 20 -3.365 9.619 1.859 1.00 13.41 H new ATOM 0 HD12 ILE A 20 -2.590 11.102 1.254 1.00 13.41 H new ATOM 0 HD13 ILE A 20 -1.873 9.514 0.896 1.00 13.41 H new ATOM 378 N CYS A 21 2.143 11.226 0.381 1.00 61.14 N ATOM 379 CA CYS A 21 3.357 11.948 0.011 1.00 12.45 C ATOM 380 C CYS A 21 3.395 13.320 0.673 1.00 4.03 C ATOM 381 O CYS A 21 2.578 14.197 0.391 1.00 62.44 O ATOM 382 CB CYS A 21 3.441 12.099 -1.508 1.00 72.14 C ATOM 383 SG CYS A 21 4.926 12.955 -2.083 1.00 75.15 S ATOM 0 H CYS A 21 1.435 11.187 -0.352 1.00 61.14 H new ATOM 0 HA CYS A 21 4.214 11.372 0.360 1.00 12.45 H new ATOM 0 HB2 CYS A 21 3.406 11.109 -1.963 1.00 72.14 H new ATOM 0 HB3 CYS A 21 2.563 12.642 -1.858 1.00 72.14 H new ATOM 388 N PRO A 22 4.366 13.513 1.578 1.00 24.35 N ATOM 389 CA PRO A 22 4.535 14.778 2.302 1.00 50.20 C ATOM 390 C PRO A 22 5.021 15.903 1.395 1.00 44.53 C ATOM 391 O PRO A 22 5.100 17.060 1.812 1.00 50.11 O ATOM 392 CB PRO A 22 5.595 14.446 3.355 1.00 13.55 C ATOM 393 CG PRO A 22 6.361 13.308 2.775 1.00 22.23 C ATOM 394 CD PRO A 22 5.376 12.513 1.965 1.00 41.34 C ATOM 0 HA PRO A 22 3.595 15.136 2.722 1.00 50.20 H new ATOM 0 HB2 PRO A 22 6.242 15.301 3.549 1.00 13.55 H new ATOM 0 HB3 PRO A 22 5.137 14.172 4.305 1.00 13.55 H new ATOM 0 HG2 PRO A 22 7.179 13.667 2.151 1.00 22.23 H new ATOM 0 HG3 PRO A 22 6.804 12.696 3.560 1.00 22.23 H new ATOM 0 HD2 PRO A 22 5.847 12.059 1.093 1.00 41.34 H new ATOM 0 HD3 PRO A 22 4.937 11.703 2.548 1.00 41.34 H new ATOM 402 N LYS A 23 5.344 15.559 0.153 1.00 22.44 N ATOM 403 CA LYS A 23 5.820 16.541 -0.814 1.00 74.23 C ATOM 404 C LYS A 23 4.651 17.226 -1.515 1.00 72.30 C ATOM 405 O LYS A 23 4.488 18.443 -1.425 1.00 33.22 O ATOM 406 CB LYS A 23 6.727 15.870 -1.848 1.00 61.32 C ATOM 407 CG LYS A 23 8.071 16.557 -2.015 1.00 73.51 C ATOM 408 CD LYS A 23 8.907 16.463 -0.749 1.00 11.31 C ATOM 409 CE LYS A 23 9.608 17.777 -0.444 1.00 62.41 C ATOM 410 NZ LYS A 23 8.787 18.652 0.438 1.00 72.31 N ATOM 0 H LYS A 23 5.285 14.607 -0.208 1.00 22.44 H new ATOM 0 HA LYS A 23 6.391 17.298 -0.275 1.00 74.23 H new ATOM 0 HB2 LYS A 23 6.892 14.833 -1.555 1.00 61.32 H new ATOM 0 HB3 LYS A 23 6.216 15.852 -2.810 1.00 61.32 H new ATOM 0 HG2 LYS A 23 8.613 16.102 -2.844 1.00 73.51 H new ATOM 0 HG3 LYS A 23 7.916 17.605 -2.272 1.00 73.51 H new ATOM 0 HD2 LYS A 23 8.268 16.187 0.090 1.00 11.31 H new ATOM 0 HD3 LYS A 23 9.648 15.671 -0.859 1.00 11.31 H new ATOM 0 HE2 LYS A 23 10.566 17.575 0.035 1.00 62.41 H new ATOM 0 HE3 LYS A 23 9.822 18.299 -1.376 1.00 62.41 H new ATOM 0 HZ1 LYS A 23 9.300 19.538 0.623 1.00 72.31 H new ATOM 0 HZ2 LYS A 23 7.883 18.866 -0.030 1.00 72.31 H new ATOM 0 HZ3 LYS A 23 8.604 18.164 1.338 1.00 72.31 H new ATOM 424 N CYS A 24 3.842 16.436 -2.212 1.00 1.41 N ATOM 425 CA CYS A 24 2.688 16.967 -2.928 1.00 54.53 C ATOM 426 C CYS A 24 1.397 16.690 -2.162 1.00 63.35 C ATOM 427 O CYS A 24 0.499 17.530 -2.116 1.00 30.32 O ATOM 428 CB CYS A 24 2.604 16.355 -4.328 1.00 13.21 C ATOM 429 SG CYS A 24 2.573 14.547 -4.342 1.00 31.15 S ATOM 0 H CYS A 24 3.964 15.427 -2.296 1.00 1.41 H new ATOM 0 HA CYS A 24 2.813 18.046 -3.017 1.00 54.53 H new ATOM 0 HB2 CYS A 24 1.707 16.727 -4.822 1.00 13.21 H new ATOM 0 HB3 CYS A 24 3.456 16.698 -4.915 1.00 13.21 H new ATOM 434 N GLY A 25 1.313 15.507 -1.563 1.00 22.43 N ATOM 435 CA GLY A 25 0.129 15.141 -0.808 1.00 24.55 C ATOM 436 C GLY A 25 -0.516 13.870 -1.321 1.00 73.12 C ATOM 437 O GLY A 25 -1.183 13.158 -0.571 1.00 43.43 O ATOM 0 H GLY A 25 2.043 14.795 -1.587 1.00 22.43 H new ATOM 0 HA2 GLY A 25 0.396 15.011 0.241 1.00 24.55 H new ATOM 0 HA3 GLY A 25 -0.594 15.956 -0.854 1.00 24.55 H new ATOM 441 N GLU A 26 -0.319 13.585 -2.605 1.00 73.20 N ATOM 442 CA GLU A 26 -0.889 12.392 -3.218 1.00 54.21 C ATOM 443 C GLU A 26 -0.567 11.149 -2.394 1.00 14.01 C ATOM 444 O GLU A 26 0.522 11.025 -1.834 1.00 61.45 O ATOM 445 CB GLU A 26 -0.361 12.221 -4.644 1.00 62.33 C ATOM 446 CG GLU A 26 -1.023 11.087 -5.408 1.00 72.30 C ATOM 447 CD GLU A 26 -2.515 11.005 -5.153 1.00 22.13 C ATOM 448 OE1 GLU A 26 -3.188 12.054 -5.230 1.00 51.20 O ATOM 449 OE2 GLU A 26 -3.010 9.893 -4.874 1.00 13.32 O ATOM 0 H GLU A 26 0.231 14.164 -3.240 1.00 73.20 H new ATOM 0 HA GLU A 26 -1.972 12.515 -3.251 1.00 54.21 H new ATOM 0 HB2 GLU A 26 -0.510 13.152 -5.191 1.00 62.33 H new ATOM 0 HB3 GLU A 26 0.714 12.043 -4.605 1.00 62.33 H new ATOM 0 HG2 GLU A 26 -0.847 11.222 -6.475 1.00 72.30 H new ATOM 0 HG3 GLU A 26 -0.557 10.143 -5.125 1.00 72.30 H new ATOM 456 N LYS A 27 -1.524 10.229 -2.322 1.00 44.40 N ATOM 457 CA LYS A 27 -1.345 8.995 -1.567 1.00 11.40 C ATOM 458 C LYS A 27 -0.240 8.139 -2.178 1.00 55.01 C ATOM 459 O LYS A 27 -0.067 8.107 -3.398 1.00 2.44 O ATOM 460 CB LYS A 27 -2.654 8.203 -1.526 1.00 1.11 C ATOM 461 CG LYS A 27 -3.871 9.058 -1.218 1.00 15.43 C ATOM 462 CD LYS A 27 -4.800 8.371 -0.232 1.00 13.32 C ATOM 463 CE LYS A 27 -5.707 7.366 -0.926 1.00 32.41 C ATOM 464 NZ LYS A 27 -6.658 8.030 -1.860 1.00 2.22 N ATOM 0 H LYS A 27 -2.432 10.316 -2.778 1.00 44.40 H new ATOM 0 HA LYS A 27 -1.056 9.260 -0.550 1.00 11.40 H new ATOM 0 HB2 LYS A 27 -2.801 7.709 -2.487 1.00 1.11 H new ATOM 0 HB3 LYS A 27 -2.571 7.419 -0.774 1.00 1.11 H new ATOM 0 HG2 LYS A 27 -3.550 10.016 -0.809 1.00 15.43 H new ATOM 0 HG3 LYS A 27 -4.411 9.270 -2.141 1.00 15.43 H new ATOM 0 HD2 LYS A 27 -4.210 7.864 0.532 1.00 13.32 H new ATOM 0 HD3 LYS A 27 -5.407 9.119 0.278 1.00 13.32 H new ATOM 0 HE2 LYS A 27 -5.099 6.648 -1.476 1.00 32.41 H new ATOM 0 HE3 LYS A 27 -6.266 6.804 -0.178 1.00 32.41 H new ATOM 0 HZ1 LYS A 27 -7.491 7.423 -1.997 1.00 2.22 H new ATOM 0 HZ2 LYS A 27 -6.957 8.943 -1.461 1.00 2.22 H new ATOM 0 HZ3 LYS A 27 -6.191 8.189 -2.776 1.00 2.22 H new ATOM 478 N THR A 28 0.504 7.443 -1.324 1.00 41.15 N ATOM 479 CA THR A 28 1.592 6.586 -1.781 1.00 4.15 C ATOM 480 C THR A 28 1.094 5.175 -2.072 1.00 54.34 C ATOM 481 O THR A 28 0.084 4.735 -1.522 1.00 44.13 O ATOM 482 CB THR A 28 2.725 6.514 -0.739 1.00 12.30 C ATOM 483 OG1 THR A 28 2.180 6.586 0.583 1.00 41.41 O ATOM 484 CG2 THR A 28 3.721 7.645 -0.945 1.00 34.50 C ATOM 0 H THR A 28 0.373 7.456 -0.312 1.00 41.15 H new ATOM 0 HA THR A 28 1.980 7.028 -2.699 1.00 4.15 H new ATOM 0 HB THR A 28 3.246 5.565 -0.865 1.00 12.30 H new ATOM 0 HG1 THR A 28 2.881 6.857 1.212 1.00 41.41 H new ATOM 0 HG21 THR A 28 4.512 7.574 -0.198 1.00 34.50 H new ATOM 0 HG22 THR A 28 4.156 7.570 -1.942 1.00 34.50 H new ATOM 0 HG23 THR A 28 3.210 8.603 -0.843 1.00 34.50 H new ATOM 492 N VAL A 29 1.810 4.469 -2.941 1.00 33.23 N ATOM 493 CA VAL A 29 1.442 3.105 -3.304 1.00 75.25 C ATOM 494 C VAL A 29 2.651 2.178 -3.259 1.00 24.33 C ATOM 495 O VAL A 29 3.784 2.608 -3.478 1.00 70.12 O ATOM 496 CB VAL A 29 0.819 3.049 -4.712 1.00 32.30 C ATOM 497 CG1 VAL A 29 -0.323 4.046 -4.831 1.00 50.33 C ATOM 498 CG2 VAL A 29 1.877 3.308 -5.774 1.00 30.44 C ATOM 0 H VAL A 29 2.648 4.818 -3.407 1.00 33.23 H new ATOM 0 HA VAL A 29 0.705 2.771 -2.574 1.00 75.25 H new ATOM 0 HB VAL A 29 0.415 2.049 -4.871 1.00 32.30 H new ATOM 0 HG11 VAL A 29 -0.750 3.992 -5.832 1.00 50.33 H new ATOM 0 HG12 VAL A 29 -1.091 3.809 -4.095 1.00 50.33 H new ATOM 0 HG13 VAL A 29 0.053 5.053 -4.651 1.00 50.33 H new ATOM 0 HG21 VAL A 29 1.419 3.265 -6.762 1.00 30.44 H new ATOM 0 HG22 VAL A 29 2.314 4.295 -5.620 1.00 30.44 H new ATOM 0 HG23 VAL A 29 2.658 2.551 -5.702 1.00 30.44 H new ATOM 508 N ILE A 30 2.403 0.905 -2.972 1.00 24.21 N ATOM 509 CA ILE A 30 3.472 -0.083 -2.897 1.00 62.15 C ATOM 510 C ILE A 30 4.164 -0.247 -4.247 1.00 41.40 C ATOM 511 O ILE A 30 3.582 -0.739 -5.214 1.00 53.22 O ATOM 512 CB ILE A 30 2.942 -1.453 -2.435 1.00 62.33 C ATOM 513 CG1 ILE A 30 2.125 -1.301 -1.151 1.00 73.00 C ATOM 514 CG2 ILE A 30 4.095 -2.424 -2.224 1.00 44.43 C ATOM 515 CD1 ILE A 30 2.934 -0.802 0.025 1.00 31.44 C ATOM 0 H ILE A 30 1.471 0.533 -2.788 1.00 24.21 H new ATOM 0 HA ILE A 30 4.191 0.285 -2.164 1.00 62.15 H new ATOM 0 HB ILE A 30 2.292 -1.855 -3.212 1.00 62.33 H new ATOM 0 HG12 ILE A 30 1.301 -0.611 -1.334 1.00 73.00 H new ATOM 0 HG13 ILE A 30 1.683 -2.264 -0.895 1.00 73.00 H new ATOM 0 HG21 ILE A 30 3.704 -3.388 -1.898 1.00 44.43 H new ATOM 0 HG22 ILE A 30 4.639 -2.551 -3.160 1.00 44.43 H new ATOM 0 HG23 ILE A 30 4.769 -2.029 -1.463 1.00 44.43 H new ATOM 0 HD11 ILE A 30 2.290 -0.718 0.900 1.00 31.44 H new ATOM 0 HD12 ILE A 30 3.742 -1.503 0.234 1.00 31.44 H new ATOM 0 HD13 ILE A 30 3.354 0.176 -0.211 1.00 31.44 H new ATOM 527 N PRO A 31 5.435 0.173 -4.316 1.00 22.43 N ATOM 528 CA PRO A 31 6.234 0.080 -5.542 1.00 64.31 C ATOM 529 C PRO A 31 6.588 -1.359 -5.896 1.00 15.42 C ATOM 530 O PRO A 31 7.369 -2.008 -5.199 1.00 10.13 O ATOM 531 CB PRO A 31 7.499 0.873 -5.201 1.00 41.23 C ATOM 532 CG PRO A 31 7.604 0.799 -3.717 1.00 31.13 C ATOM 533 CD PRO A 31 6.192 0.769 -3.202 1.00 41.12 C ATOM 0 HA PRO A 31 5.695 0.461 -6.409 1.00 64.31 H new ATOM 0 HB2 PRO A 31 8.378 0.443 -5.682 1.00 41.23 H new ATOM 0 HB3 PRO A 31 7.423 1.906 -5.541 1.00 41.23 H new ATOM 0 HG2 PRO A 31 8.151 -0.092 -3.409 1.00 31.13 H new ATOM 0 HG3 PRO A 31 8.145 1.658 -3.321 1.00 31.13 H new ATOM 0 HD2 PRO A 31 6.108 0.172 -2.294 1.00 41.12 H new ATOM 0 HD3 PRO A 31 5.831 1.769 -2.960 1.00 41.12 H new ATOM 541 N LYS A 32 6.009 -1.855 -6.985 1.00 12.55 N ATOM 542 CA LYS A 32 6.264 -3.218 -7.434 1.00 14.34 C ATOM 543 C LYS A 32 7.756 -3.453 -7.644 1.00 25.23 C ATOM 544 O LYS A 32 8.540 -2.516 -7.803 1.00 15.35 O ATOM 545 CB LYS A 32 5.505 -3.500 -8.734 1.00 24.01 C ATOM 546 CG LYS A 32 4.321 -4.434 -8.557 1.00 52.02 C ATOM 547 CD LYS A 32 3.143 -4.011 -9.418 1.00 14.51 C ATOM 548 CE LYS A 32 1.921 -3.688 -8.571 1.00 63.40 C ATOM 549 NZ LYS A 32 1.446 -4.874 -7.808 1.00 30.03 N ATOM 0 H LYS A 32 5.360 -1.332 -7.573 1.00 12.55 H new ATOM 0 HA LYS A 32 5.912 -3.900 -6.659 1.00 14.34 H new ATOM 0 HB2 LYS A 32 5.153 -2.556 -9.151 1.00 24.01 H new ATOM 0 HB3 LYS A 32 6.193 -3.933 -9.460 1.00 24.01 H new ATOM 0 HG2 LYS A 32 4.616 -5.450 -8.817 1.00 52.02 H new ATOM 0 HG3 LYS A 32 4.021 -4.448 -7.509 1.00 52.02 H new ATOM 0 HD2 LYS A 32 3.418 -3.138 -10.009 1.00 14.51 H new ATOM 0 HD3 LYS A 32 2.900 -4.808 -10.121 1.00 14.51 H new ATOM 0 HE2 LYS A 32 2.163 -2.883 -7.877 1.00 63.40 H new ATOM 0 HE3 LYS A 32 1.119 -3.325 -9.214 1.00 63.40 H new ATOM 0 HZ1 LYS A 32 0.437 -4.760 -7.581 1.00 30.03 H new ATOM 0 HZ2 LYS A 32 1.577 -5.731 -8.382 1.00 30.03 H new ATOM 0 HZ3 LYS A 32 1.991 -4.961 -6.927 1.00 30.03 H new ATOM 563 N PRO A 33 8.160 -4.732 -7.645 1.00 63.35 N ATOM 564 CA PRO A 33 9.562 -5.118 -7.837 1.00 41.04 C ATOM 565 C PRO A 33 10.045 -4.861 -9.260 1.00 4.22 C ATOM 566 O PRO A 33 9.259 -4.594 -10.169 1.00 44.33 O ATOM 567 CB PRO A 33 9.560 -6.619 -7.536 1.00 75.22 C ATOM 568 CG PRO A 33 8.166 -7.061 -7.821 1.00 3.22 C ATOM 569 CD PRO A 33 7.282 -5.899 -7.461 1.00 41.33 C ATOM 0 HA PRO A 33 10.234 -4.542 -7.201 1.00 41.04 H new ATOM 0 HB2 PRO A 33 10.279 -7.149 -8.161 1.00 75.22 H new ATOM 0 HB3 PRO A 33 9.833 -6.815 -6.499 1.00 75.22 H new ATOM 0 HG2 PRO A 33 8.049 -7.330 -8.871 1.00 3.22 H new ATOM 0 HG3 PRO A 33 7.909 -7.943 -7.235 1.00 3.22 H new ATOM 0 HD2 PRO A 33 6.404 -5.847 -8.105 1.00 41.33 H new ATOM 0 HD3 PRO A 33 6.920 -5.972 -6.435 1.00 41.33 H new ATOM 577 N PRO A 34 11.369 -4.942 -9.460 1.00 14.41 N ATOM 578 CA PRO A 34 11.986 -4.722 -10.771 1.00 55.11 C ATOM 579 C PRO A 34 11.669 -5.843 -11.756 1.00 52.44 C ATOM 580 O PRO A 34 11.368 -5.590 -12.923 1.00 51.22 O ATOM 581 CB PRO A 34 13.484 -4.695 -10.458 1.00 21.22 C ATOM 582 CG PRO A 34 13.625 -5.493 -9.208 1.00 50.32 C ATOM 583 CD PRO A 34 12.365 -5.257 -8.422 1.00 11.40 C ATOM 0 HA PRO A 34 11.619 -3.812 -11.246 1.00 55.11 H new ATOM 0 HB2 PRO A 34 14.066 -5.128 -11.272 1.00 21.22 H new ATOM 0 HB3 PRO A 34 13.841 -3.675 -10.318 1.00 21.22 H new ATOM 0 HG2 PRO A 34 13.752 -6.552 -9.433 1.00 50.32 H new ATOM 0 HG3 PRO A 34 14.502 -5.180 -8.642 1.00 50.32 H new ATOM 0 HD2 PRO A 34 12.080 -6.137 -7.846 1.00 11.40 H new ATOM 0 HD3 PRO A 34 12.481 -4.436 -7.714 1.00 11.40 H new ATOM 591 N LYS A 35 11.737 -7.081 -11.280 1.00 71.34 N ATOM 592 CA LYS A 35 11.456 -8.240 -12.118 1.00 73.10 C ATOM 593 C LYS A 35 11.194 -9.478 -11.265 1.00 24.21 C ATOM 594 O LYS A 35 11.056 -9.384 -10.045 1.00 33.33 O ATOM 595 CB LYS A 35 12.625 -8.503 -13.071 1.00 13.05 C ATOM 596 CG LYS A 35 12.191 -8.883 -14.475 1.00 52.55 C ATOM 597 CD LYS A 35 13.227 -8.475 -15.509 1.00 52.10 C ATOM 598 CE LYS A 35 12.765 -7.272 -16.317 1.00 63.22 C ATOM 599 NZ LYS A 35 11.555 -7.581 -17.128 1.00 44.43 N ATOM 0 H LYS A 35 11.985 -7.308 -10.317 1.00 71.34 H new ATOM 0 HA LYS A 35 10.561 -8.026 -12.702 1.00 73.10 H new ATOM 0 HB2 LYS A 35 13.249 -7.611 -13.122 1.00 13.05 H new ATOM 0 HB3 LYS A 35 13.243 -9.302 -12.662 1.00 13.05 H new ATOM 0 HG2 LYS A 35 12.028 -9.959 -14.527 1.00 52.55 H new ATOM 0 HG3 LYS A 35 11.239 -8.405 -14.704 1.00 52.55 H new ATOM 0 HD2 LYS A 35 14.167 -8.240 -15.010 1.00 52.10 H new ATOM 0 HD3 LYS A 35 13.422 -9.312 -16.180 1.00 52.10 H new ATOM 0 HE2 LYS A 35 12.549 -6.443 -15.643 1.00 63.22 H new ATOM 0 HE3 LYS A 35 13.570 -6.946 -16.975 1.00 63.22 H new ATOM 0 HZ1 LYS A 35 11.540 -6.976 -17.973 1.00 44.43 H new ATOM 0 HZ2 LYS A 35 11.577 -8.580 -17.418 1.00 44.43 H new ATOM 0 HZ3 LYS A 35 10.702 -7.404 -16.560 1.00 44.43 H new ATOM 613 N PHE A 36 11.128 -10.635 -11.914 1.00 22.22 N ATOM 614 CA PHE A 36 10.884 -11.891 -11.214 1.00 21.11 C ATOM 615 C PHE A 36 11.884 -12.085 -10.079 1.00 21.41 C ATOM 616 O PHE A 36 11.581 -12.727 -9.073 1.00 22.30 O ATOM 617 CB PHE A 36 10.967 -13.067 -12.189 1.00 22.45 C ATOM 618 CG PHE A 36 10.912 -14.409 -11.516 1.00 2.14 C ATOM 619 CD1 PHE A 36 9.694 -14.999 -11.218 1.00 32.43 C ATOM 620 CD2 PHE A 36 12.077 -15.080 -11.181 1.00 53.40 C ATOM 621 CE1 PHE A 36 9.640 -16.233 -10.598 1.00 23.42 C ATOM 622 CE2 PHE A 36 12.030 -16.314 -10.562 1.00 11.34 C ATOM 623 CZ PHE A 36 10.809 -16.893 -10.271 1.00 4.22 C ATOM 0 H PHE A 36 11.240 -10.729 -12.923 1.00 22.22 H new ATOM 0 HA PHE A 36 9.882 -11.851 -10.788 1.00 21.11 H new ATOM 0 HB2 PHE A 36 10.148 -12.994 -12.904 1.00 22.45 H new ATOM 0 HB3 PHE A 36 11.894 -12.992 -12.758 1.00 22.45 H new ATOM 0 HD1 PHE A 36 8.777 -14.489 -11.473 1.00 32.43 H new ATOM 0 HD2 PHE A 36 13.034 -14.633 -11.407 1.00 53.40 H new ATOM 0 HE1 PHE A 36 8.684 -16.681 -10.369 1.00 23.42 H new ATOM 0 HE2 PHE A 36 12.946 -16.826 -10.306 1.00 11.34 H new ATOM 0 HZ PHE A 36 10.769 -17.859 -9.789 1.00 4.22 H new ATOM 633 N SER A 37 13.078 -11.525 -10.248 1.00 15.04 N ATOM 634 CA SER A 37 14.126 -11.639 -9.239 1.00 53.05 C ATOM 635 C SER A 37 14.233 -10.357 -8.420 1.00 14.24 C ATOM 636 O SER A 37 13.552 -9.370 -8.698 1.00 41.12 O ATOM 637 CB SER A 37 15.469 -11.948 -9.903 1.00 21.20 C ATOM 638 OG SER A 37 15.303 -12.810 -11.015 1.00 12.11 O ATOM 0 H SER A 37 13.344 -10.988 -11.073 1.00 15.04 H new ATOM 0 HA SER A 37 13.864 -12.457 -8.568 1.00 53.05 H new ATOM 0 HB2 SER A 37 15.940 -11.020 -10.226 1.00 21.20 H new ATOM 0 HB3 SER A 37 16.139 -12.410 -9.178 1.00 21.20 H new ATOM 0 HG SER A 37 16.176 -12.990 -11.422 1.00 12.11 H new ATOM 644 N LEU A 38 15.093 -10.381 -7.408 1.00 4.34 N ATOM 645 CA LEU A 38 15.290 -9.220 -6.545 1.00 74.01 C ATOM 646 C LEU A 38 16.221 -8.206 -7.202 1.00 60.23 C ATOM 647 O LEU A 38 16.039 -6.998 -7.057 1.00 22.21 O ATOM 648 CB LEU A 38 15.863 -9.656 -5.195 1.00 10.10 C ATOM 649 CG LEU A 38 15.199 -10.870 -4.545 1.00 13.25 C ATOM 650 CD1 LEU A 38 15.968 -11.299 -3.305 1.00 21.44 C ATOM 651 CD2 LEU A 38 13.750 -10.562 -4.195 1.00 63.33 C ATOM 0 H LEU A 38 15.665 -11.190 -7.164 1.00 4.34 H new ATOM 0 HA LEU A 38 14.321 -8.746 -6.386 1.00 74.01 H new ATOM 0 HB2 LEU A 38 16.923 -9.873 -5.326 1.00 10.10 H new ATOM 0 HB3 LEU A 38 15.793 -8.815 -4.505 1.00 10.10 H new ATOM 0 HG LEU A 38 15.213 -11.693 -5.259 1.00 13.25 H new ATOM 0 HD11 LEU A 38 15.481 -12.164 -2.856 1.00 21.44 H new ATOM 0 HD12 LEU A 38 16.989 -11.561 -3.583 1.00 21.44 H new ATOM 0 HD13 LEU A 38 15.986 -10.479 -2.587 1.00 21.44 H new ATOM 0 HD21 LEU A 38 13.293 -11.437 -3.733 1.00 63.33 H new ATOM 0 HD22 LEU A 38 13.714 -9.724 -3.499 1.00 63.33 H new ATOM 0 HD23 LEU A 38 13.204 -10.304 -5.102 1.00 63.33 H new ATOM 663 N GLU A 39 17.217 -8.707 -7.926 1.00 52.11 N ATOM 664 CA GLU A 39 18.175 -7.843 -8.607 1.00 32.21 C ATOM 665 C GLU A 39 18.637 -8.471 -9.918 1.00 50.43 C ATOM 666 O GLU A 39 19.230 -9.550 -9.929 1.00 10.54 O ATOM 667 CB GLU A 39 19.382 -7.574 -7.705 1.00 63.00 C ATOM 668 CG GLU A 39 19.926 -8.820 -7.028 1.00 11.25 C ATOM 669 CD GLU A 39 21.077 -8.517 -6.088 1.00 33.13 C ATOM 670 OE1 GLU A 39 20.813 -8.155 -4.923 1.00 34.24 O ATOM 671 OE2 GLU A 39 22.243 -8.643 -6.519 1.00 72.01 O ATOM 0 H GLU A 39 17.382 -9.705 -8.056 1.00 52.11 H new ATOM 0 HA GLU A 39 17.679 -6.899 -8.831 1.00 32.21 H new ATOM 0 HB2 GLU A 39 20.174 -7.118 -8.299 1.00 63.00 H new ATOM 0 HB3 GLU A 39 19.100 -6.850 -6.941 1.00 63.00 H new ATOM 0 HG2 GLU A 39 19.125 -9.306 -6.471 1.00 11.25 H new ATOM 0 HG3 GLU A 39 20.259 -9.526 -7.788 1.00 11.25 H new ATOM 678 N ASP A 40 18.360 -7.787 -11.024 1.00 75.21 N ATOM 679 CA ASP A 40 18.747 -8.276 -12.342 1.00 23.22 C ATOM 680 C ASP A 40 19.829 -7.391 -12.954 1.00 50.21 C ATOM 681 O ASP A 40 20.010 -7.367 -14.171 1.00 64.51 O ATOM 682 CB ASP A 40 17.531 -8.329 -13.267 1.00 50.22 C ATOM 683 CG ASP A 40 16.754 -7.027 -13.276 1.00 14.52 C ATOM 684 OD1 ASP A 40 17.352 -5.976 -12.964 1.00 52.11 O ATOM 685 OD2 ASP A 40 15.545 -7.059 -13.593 1.00 60.34 O ATOM 0 H ASP A 40 17.869 -6.893 -11.033 1.00 75.21 H new ATOM 0 HA ASP A 40 19.149 -9.282 -12.225 1.00 23.22 H new ATOM 0 HB2 ASP A 40 17.859 -8.560 -14.280 1.00 50.22 H new ATOM 0 HB3 ASP A 40 16.873 -9.139 -12.952 1.00 50.22 H new ATOM 690 N ARG A 41 20.544 -6.665 -12.101 1.00 51.14 N ATOM 691 CA ARG A 41 21.606 -5.777 -12.558 1.00 73.34 C ATOM 692 C ARG A 41 22.777 -6.575 -13.125 1.00 34.05 C ATOM 693 O ARG A 41 23.046 -6.533 -14.326 1.00 0.23 O ATOM 694 CB ARG A 41 22.089 -4.890 -11.408 1.00 75.11 C ATOM 695 CG ARG A 41 21.020 -3.953 -10.871 1.00 75.43 C ATOM 696 CD ARG A 41 20.837 -2.743 -11.772 1.00 51.54 C ATOM 697 NE ARG A 41 19.998 -3.044 -12.930 1.00 22.33 N ATOM 698 CZ ARG A 41 18.675 -3.150 -12.871 1.00 35.32 C ATOM 699 NH1 ARG A 41 18.044 -2.981 -11.718 1.00 30.22 N ATOM 700 NH2 ARG A 41 17.981 -3.427 -13.968 1.00 73.41 N ATOM 0 H ARG A 41 20.407 -6.674 -11.090 1.00 51.14 H new ATOM 0 HA ARG A 41 21.201 -5.146 -13.350 1.00 73.34 H new ATOM 0 HB2 ARG A 41 22.445 -5.524 -10.596 1.00 75.11 H new ATOM 0 HB3 ARG A 41 22.940 -4.300 -11.748 1.00 75.11 H new ATOM 0 HG2 ARG A 41 20.075 -4.489 -10.784 1.00 75.43 H new ATOM 0 HG3 ARG A 41 21.293 -3.624 -9.869 1.00 75.43 H new ATOM 0 HD2 ARG A 41 20.388 -1.930 -11.201 1.00 51.54 H new ATOM 0 HD3 ARG A 41 21.812 -2.393 -12.112 1.00 51.54 H new ATOM 0 HE ARG A 41 20.453 -3.180 -13.833 1.00 22.33 H new ATOM 0 HH11 ARG A 41 18.574 -2.769 -10.873 1.00 30.22 H new ATOM 0 HH12 ARG A 41 17.028 -3.063 -11.676 1.00 30.22 H new ATOM 0 HH21 ARG A 41 18.463 -3.559 -14.857 1.00 73.41 H new ATOM 0 HH22 ARG A 41 16.965 -3.508 -13.922 1.00 73.41 H new ATOM 714 N TRP A 42 23.468 -7.301 -12.254 1.00 24.24 N ATOM 715 CA TRP A 42 24.609 -8.108 -12.668 1.00 34.43 C ATOM 716 C TRP A 42 24.239 -9.587 -12.720 1.00 33.50 C ATOM 717 O TRP A 42 24.897 -10.378 -13.396 1.00 64.42 O ATOM 718 CB TRP A 42 25.784 -7.898 -11.710 1.00 54.41 C ATOM 719 CG TRP A 42 26.598 -6.681 -12.029 1.00 72.10 C ATOM 720 CD1 TRP A 42 26.133 -5.414 -12.233 1.00 60.04 C ATOM 721 CD2 TRP A 42 28.021 -6.618 -12.181 1.00 50.31 C ATOM 722 NE1 TRP A 42 27.180 -4.566 -12.504 1.00 55.01 N ATOM 723 CE2 TRP A 42 28.349 -5.280 -12.477 1.00 20.14 C ATOM 724 CE3 TRP A 42 29.049 -7.560 -12.094 1.00 5.52 C ATOM 725 CZ2 TRP A 42 29.661 -4.865 -12.686 1.00 72.14 C ATOM 726 CZ3 TRP A 42 30.351 -7.146 -12.303 1.00 15.33 C ATOM 727 CH2 TRP A 42 30.648 -5.808 -12.595 1.00 10.21 C ATOM 0 H TRP A 42 23.258 -7.347 -11.257 1.00 24.24 H new ATOM 0 HA TRP A 42 24.903 -7.790 -13.668 1.00 34.43 H new ATOM 0 HB2 TRP A 42 25.404 -7.816 -10.692 1.00 54.41 H new ATOM 0 HB3 TRP A 42 26.429 -8.776 -11.739 1.00 54.41 H new ATOM 0 HD1 TRP A 42 25.095 -5.121 -12.188 1.00 60.04 H new ATOM 0 HE1 TRP A 42 27.100 -3.567 -12.694 1.00 55.01 H new ATOM 0 HE3 TRP A 42 28.830 -8.593 -11.868 1.00 5.52 H new ATOM 0 HZ2 TRP A 42 29.892 -3.834 -12.912 1.00 72.14 H new ATOM 0 HZ3 TRP A 42 31.153 -7.866 -12.240 1.00 15.33 H new ATOM 0 HH2 TRP A 42 31.676 -5.516 -12.751 1.00 10.21 H new ATOM 738 N GLY A 43 23.183 -9.954 -12.001 1.00 55.02 N ATOM 739 CA GLY A 43 22.745 -11.338 -11.981 1.00 61.14 C ATOM 740 C GLY A 43 23.716 -12.244 -11.250 1.00 62.44 C ATOM 741 O GLY A 43 23.556 -12.508 -10.058 1.00 52.42 O ATOM 0 H GLY A 43 22.623 -9.319 -11.432 1.00 55.02 H new ATOM 0 HA2 GLY A 43 21.767 -11.399 -11.504 1.00 61.14 H new ATOM 0 HA3 GLY A 43 22.623 -11.692 -13.005 1.00 61.14 H new ATOM 745 N LYS A 44 24.729 -12.722 -11.966 1.00 25.34 N ATOM 746 CA LYS A 44 25.731 -13.603 -11.379 1.00 33.42 C ATOM 747 C LYS A 44 26.314 -12.995 -10.108 1.00 20.10 C ATOM 748 O LYS A 44 26.722 -13.714 -9.195 1.00 44.41 O ATOM 749 CB LYS A 44 26.852 -13.877 -12.386 1.00 14.41 C ATOM 750 CG LYS A 44 27.511 -12.617 -12.919 1.00 34.41 C ATOM 751 CD LYS A 44 28.670 -12.945 -13.845 1.00 71.42 C ATOM 752 CE LYS A 44 29.888 -13.421 -13.068 1.00 21.23 C ATOM 753 NZ LYS A 44 31.095 -13.523 -13.935 1.00 21.33 N ATOM 0 H LYS A 44 24.877 -12.514 -12.953 1.00 25.34 H new ATOM 0 HA LYS A 44 25.244 -14.543 -11.120 1.00 33.42 H new ATOM 0 HB2 LYS A 44 27.610 -14.501 -11.913 1.00 14.41 H new ATOM 0 HB3 LYS A 44 26.447 -14.447 -13.222 1.00 14.41 H new ATOM 0 HG2 LYS A 44 26.774 -12.018 -13.454 1.00 34.41 H new ATOM 0 HG3 LYS A 44 27.869 -12.012 -12.086 1.00 34.41 H new ATOM 0 HD2 LYS A 44 28.365 -13.716 -14.553 1.00 71.42 H new ATOM 0 HD3 LYS A 44 28.932 -12.062 -14.429 1.00 71.42 H new ATOM 0 HE2 LYS A 44 30.087 -12.732 -12.248 1.00 21.23 H new ATOM 0 HE3 LYS A 44 29.677 -14.393 -12.623 1.00 21.23 H new ATOM 0 HZ1 LYS A 44 31.903 -13.850 -13.368 1.00 21.33 H new ATOM 0 HZ2 LYS A 44 30.914 -14.200 -14.703 1.00 21.33 H new ATOM 0 HZ3 LYS A 44 31.312 -12.590 -14.340 1.00 21.33 H new ATOM 767 N TYR A 45 26.350 -11.668 -10.055 1.00 11.40 N ATOM 768 CA TYR A 45 26.883 -10.963 -8.896 1.00 30.22 C ATOM 769 C TYR A 45 26.145 -11.371 -7.624 1.00 22.43 C ATOM 770 O TYR A 45 26.714 -11.355 -6.531 1.00 50.02 O ATOM 771 CB TYR A 45 26.776 -9.451 -9.097 1.00 75.32 C ATOM 772 CG TYR A 45 27.203 -8.647 -7.891 1.00 71.21 C ATOM 773 CD1 TYR A 45 28.548 -8.479 -7.584 1.00 60.21 C ATOM 774 CD2 TYR A 45 26.263 -8.055 -7.057 1.00 15.02 C ATOM 775 CE1 TYR A 45 28.944 -7.746 -6.482 1.00 15.21 C ATOM 776 CE2 TYR A 45 26.649 -7.319 -5.953 1.00 54.31 C ATOM 777 CZ TYR A 45 27.990 -7.167 -5.670 1.00 34.02 C ATOM 778 OH TYR A 45 28.379 -6.436 -4.572 1.00 0.25 O ATOM 0 H TYR A 45 26.016 -11.059 -10.802 1.00 11.40 H new ATOM 0 HA TYR A 45 27.933 -11.235 -8.790 1.00 30.22 H new ATOM 0 HB2 TYR A 45 27.389 -9.162 -9.951 1.00 75.32 H new ATOM 0 HB3 TYR A 45 25.745 -9.198 -9.345 1.00 75.32 H new ATOM 0 HD1 TYR A 45 29.297 -8.930 -8.218 1.00 60.21 H new ATOM 0 HD2 TYR A 45 25.212 -8.172 -7.275 1.00 15.02 H new ATOM 0 HE1 TYR A 45 29.994 -7.627 -6.257 1.00 15.21 H new ATOM 0 HE2 TYR A 45 25.905 -6.865 -5.315 1.00 54.31 H new ATOM 0 HH TYR A 45 27.586 -6.096 -4.108 1.00 0.25 H new ATOM 788 N ARG A 46 24.877 -11.737 -7.774 1.00 32.43 N ATOM 789 CA ARG A 46 24.061 -12.149 -6.639 1.00 4.22 C ATOM 790 C ARG A 46 24.763 -13.234 -5.829 1.00 35.33 C ATOM 791 O ARG A 46 24.597 -13.321 -4.612 1.00 61.40 O ATOM 792 CB ARG A 46 22.700 -12.655 -7.119 1.00 12.12 C ATOM 793 CG ARG A 46 22.750 -14.044 -7.735 1.00 52.25 C ATOM 794 CD ARG A 46 22.465 -15.123 -6.703 1.00 40.52 C ATOM 795 NE ARG A 46 21.840 -16.301 -7.300 1.00 4.00 N ATOM 796 CZ ARG A 46 21.418 -17.345 -6.596 1.00 20.31 C ATOM 797 NH1 ARG A 46 21.554 -17.358 -5.277 1.00 73.43 N ATOM 798 NH2 ARG A 46 20.859 -18.379 -7.211 1.00 42.05 N ATOM 0 H ARG A 46 24.392 -11.757 -8.671 1.00 32.43 H new ATOM 0 HA ARG A 46 23.912 -11.281 -5.997 1.00 4.22 H new ATOM 0 HB2 ARG A 46 22.008 -12.665 -6.277 1.00 12.12 H new ATOM 0 HB3 ARG A 46 22.300 -11.955 -7.853 1.00 12.12 H new ATOM 0 HG2 ARG A 46 22.022 -14.111 -8.543 1.00 52.25 H new ATOM 0 HG3 ARG A 46 23.732 -14.212 -8.176 1.00 52.25 H new ATOM 0 HD2 ARG A 46 23.396 -15.414 -6.216 1.00 40.52 H new ATOM 0 HD3 ARG A 46 21.813 -14.720 -5.928 1.00 40.52 H new ATOM 0 HE ARG A 46 21.721 -16.323 -8.313 1.00 4.00 H new ATOM 0 HH11 ARG A 46 21.984 -16.565 -4.801 1.00 73.43 H new ATOM 0 HH12 ARG A 46 21.229 -18.161 -4.739 1.00 73.43 H new ATOM 0 HH21 ARG A 46 20.753 -18.373 -8.225 1.00 42.05 H new ATOM 0 HH22 ARG A 46 20.535 -19.180 -6.669 1.00 42.05 H new ATOM 812 N ARG A 47 25.547 -14.061 -6.513 1.00 33.11 N ATOM 813 CA ARG A 47 26.274 -15.142 -5.858 1.00 14.32 C ATOM 814 C ARG A 47 27.069 -14.619 -4.666 1.00 15.21 C ATOM 815 O ARG A 47 26.761 -14.931 -3.516 1.00 12.14 O ATOM 816 CB ARG A 47 27.214 -15.829 -6.850 1.00 43.42 C ATOM 817 CG ARG A 47 27.622 -17.231 -6.433 1.00 35.33 C ATOM 818 CD ARG A 47 28.831 -17.717 -7.219 1.00 14.55 C ATOM 819 NE ARG A 47 28.477 -18.101 -8.583 1.00 35.44 N ATOM 820 CZ ARG A 47 27.803 -19.206 -8.884 1.00 5.52 C ATOM 821 NH1 ARG A 47 27.408 -20.029 -7.922 1.00 34.30 N ATOM 822 NH2 ARG A 47 27.519 -19.487 -10.149 1.00 42.24 N ATOM 0 H ARG A 47 25.695 -14.003 -7.521 1.00 33.11 H new ATOM 0 HA ARG A 47 25.546 -15.868 -5.497 1.00 14.32 H new ATOM 0 HB2 ARG A 47 26.728 -15.876 -7.825 1.00 43.42 H new ATOM 0 HB3 ARG A 47 28.110 -15.220 -6.970 1.00 43.42 H new ATOM 0 HG2 ARG A 47 27.851 -17.243 -5.367 1.00 35.33 H new ATOM 0 HG3 ARG A 47 26.787 -17.915 -6.587 1.00 35.33 H new ATOM 0 HD2 ARG A 47 29.585 -16.930 -7.248 1.00 14.55 H new ATOM 0 HD3 ARG A 47 29.278 -18.569 -6.707 1.00 14.55 H new ATOM 0 HE ARG A 47 28.763 -17.488 -9.346 1.00 35.44 H new ATOM 0 HH11 ARG A 47 27.621 -19.815 -6.948 1.00 34.30 H new ATOM 0 HH12 ARG A 47 26.891 -20.876 -8.156 1.00 34.30 H new ATOM 0 HH21 ARG A 47 27.818 -18.855 -10.891 1.00 42.24 H new ATOM 0 HH22 ARG A 47 27.002 -20.335 -10.379 1.00 42.24 H new ATOM 836 N MET A 48 28.095 -13.823 -4.950 1.00 5.33 N ATOM 837 CA MET A 48 28.934 -13.255 -3.901 1.00 33.25 C ATOM 838 C MET A 48 28.089 -12.513 -2.870 1.00 71.22 C ATOM 839 O MET A 48 28.470 -12.401 -1.704 1.00 35.41 O ATOM 840 CB MET A 48 29.972 -12.308 -4.504 1.00 64.53 C ATOM 841 CG MET A 48 31.259 -12.223 -3.700 1.00 35.21 C ATOM 842 SD MET A 48 32.474 -13.457 -4.202 1.00 11.11 S ATOM 843 CE MET A 48 31.933 -14.874 -3.249 1.00 12.42 C ATOM 0 H MET A 48 28.365 -13.557 -5.897 1.00 5.33 H new ATOM 0 HA MET A 48 29.449 -14.075 -3.400 1.00 33.25 H new ATOM 0 HB2 MET A 48 30.207 -12.637 -5.516 1.00 64.53 H new ATOM 0 HB3 MET A 48 29.538 -11.311 -4.586 1.00 64.53 H new ATOM 0 HG2 MET A 48 31.689 -11.228 -3.814 1.00 35.21 H new ATOM 0 HG3 MET A 48 31.031 -12.352 -2.642 1.00 35.21 H new ATOM 0 HE1 MET A 48 32.796 -15.484 -2.982 1.00 12.42 H new ATOM 0 HE2 MET A 48 31.434 -14.533 -2.342 1.00 12.42 H new ATOM 0 HE3 MET A 48 31.239 -15.468 -3.843 1.00 12.42 H new ATOM 853 N LEU A 49 26.942 -12.007 -3.306 1.00 12.40 N ATOM 854 CA LEU A 49 26.042 -11.275 -2.422 1.00 3.24 C ATOM 855 C LEU A 49 25.504 -12.181 -1.320 1.00 13.31 C ATOM 856 O LEU A 49 25.235 -11.732 -0.206 1.00 44.55 O ATOM 857 CB LEU A 49 24.882 -10.679 -3.220 1.00 53.43 C ATOM 858 CG LEU A 49 24.326 -9.349 -2.708 1.00 72.31 C ATOM 859 CD1 LEU A 49 23.730 -9.521 -1.320 1.00 45.54 C ATOM 860 CD2 LEU A 49 25.414 -8.286 -2.696 1.00 60.45 C ATOM 0 H LEU A 49 26.612 -12.090 -4.268 1.00 12.40 H new ATOM 0 HA LEU A 49 26.608 -10.467 -1.958 1.00 3.24 H new ATOM 0 HB2 LEU A 49 25.210 -10.540 -4.250 1.00 53.43 H new ATOM 0 HB3 LEU A 49 24.070 -11.406 -3.239 1.00 53.43 H new ATOM 0 HG LEU A 49 23.535 -9.022 -3.383 1.00 72.31 H new ATOM 0 HD11 LEU A 49 23.339 -8.565 -0.971 1.00 45.54 H new ATOM 0 HD12 LEU A 49 22.922 -10.251 -1.359 1.00 45.54 H new ATOM 0 HD13 LEU A 49 24.501 -9.870 -0.634 1.00 45.54 H new ATOM 0 HD21 LEU A 49 25.001 -7.347 -2.329 1.00 60.45 H new ATOM 0 HD22 LEU A 49 26.227 -8.605 -2.043 1.00 60.45 H new ATOM 0 HD23 LEU A 49 25.795 -8.144 -3.707 1.00 60.45 H new ATOM 872 N LYS A 50 25.350 -13.462 -1.638 1.00 15.11 N ATOM 873 CA LYS A 50 24.847 -14.435 -0.676 1.00 33.35 C ATOM 874 C LYS A 50 23.541 -13.957 -0.050 1.00 63.25 C ATOM 875 O LYS A 50 23.344 -14.067 1.160 1.00 61.00 O ATOM 876 CB LYS A 50 25.887 -14.686 0.419 1.00 55.33 C ATOM 877 CG LYS A 50 27.250 -15.089 -0.119 1.00 2.44 C ATOM 878 CD LYS A 50 27.245 -16.517 -0.637 1.00 54.13 C ATOM 879 CE LYS A 50 28.639 -17.125 -0.611 1.00 3.13 C ATOM 880 NZ LYS A 50 29.374 -16.882 -1.883 1.00 3.13 N ATOM 0 H LYS A 50 25.567 -13.851 -2.556 1.00 15.11 H new ATOM 0 HA LYS A 50 24.655 -15.367 -1.208 1.00 33.35 H new ATOM 0 HB2 LYS A 50 25.995 -13.783 1.020 1.00 55.33 H new ATOM 0 HB3 LYS A 50 25.522 -15.469 1.083 1.00 55.33 H new ATOM 0 HG2 LYS A 50 27.540 -14.411 -0.922 1.00 2.44 H new ATOM 0 HG3 LYS A 50 27.997 -14.989 0.668 1.00 2.44 H new ATOM 0 HD2 LYS A 50 26.572 -17.123 -0.031 1.00 54.13 H new ATOM 0 HD3 LYS A 50 26.859 -16.534 -1.656 1.00 54.13 H new ATOM 0 HE2 LYS A 50 29.204 -16.704 0.221 1.00 3.13 H new ATOM 0 HE3 LYS A 50 28.564 -18.198 -0.434 1.00 3.13 H new ATOM 0 HZ1 LYS A 50 30.319 -17.312 -1.825 1.00 3.13 H new ATOM 0 HZ2 LYS A 50 28.849 -17.306 -2.674 1.00 3.13 H new ATOM 0 HZ3 LYS A 50 29.468 -15.858 -2.039 1.00 3.13 H new ATOM 894 N ARG A 51 22.651 -13.426 -0.883 1.00 4.24 N ATOM 895 CA ARG A 51 21.364 -12.931 -0.410 1.00 50.15 C ATOM 896 C ARG A 51 20.372 -14.077 -0.236 1.00 4.24 C ATOM 897 O ARG A 51 20.193 -14.898 -1.134 1.00 35.23 O ATOM 898 CB ARG A 51 20.800 -11.898 -1.389 1.00 34.32 C ATOM 899 CG ARG A 51 19.836 -10.914 -0.747 1.00 10.24 C ATOM 900 CD ARG A 51 20.560 -9.682 -0.227 1.00 34.40 C ATOM 901 NE ARG A 51 19.685 -8.829 0.572 1.00 53.41 N ATOM 902 CZ ARG A 51 18.827 -7.960 0.048 1.00 71.23 C ATOM 903 NH1 ARG A 51 18.730 -7.831 -1.268 1.00 70.21 N ATOM 904 NH2 ARG A 51 18.064 -7.219 0.840 1.00 21.32 N ATOM 0 H ARG A 51 22.798 -13.328 -1.888 1.00 4.24 H new ATOM 0 HA ARG A 51 21.519 -12.457 0.559 1.00 50.15 H new ATOM 0 HB2 ARG A 51 21.626 -11.345 -1.837 1.00 34.32 H new ATOM 0 HB3 ARG A 51 20.289 -12.419 -2.199 1.00 34.32 H new ATOM 0 HG2 ARG A 51 19.082 -10.614 -1.475 1.00 10.24 H new ATOM 0 HG3 ARG A 51 19.310 -11.402 0.074 1.00 10.24 H new ATOM 0 HD2 ARG A 51 21.414 -9.991 0.376 1.00 34.40 H new ATOM 0 HD3 ARG A 51 20.953 -9.111 -1.068 1.00 34.40 H new ATOM 0 HE ARG A 51 19.735 -8.904 1.588 1.00 53.41 H new ATOM 0 HH11 ARG A 51 19.315 -8.400 -1.881 1.00 70.21 H new ATOM 0 HH12 ARG A 51 18.071 -7.163 -1.668 1.00 70.21 H new ATOM 0 HH21 ARG A 51 18.135 -7.316 1.853 1.00 21.32 H new ATOM 0 HH22 ARG A 51 17.406 -6.552 0.436 1.00 21.32 H new ATOM 918 N ALA A 52 19.728 -14.123 0.927 1.00 73.01 N ATOM 919 CA ALA A 52 18.753 -15.167 1.218 1.00 10.21 C ATOM 920 C ALA A 52 19.393 -16.550 1.154 1.00 45.41 C ATOM 921 O ALA A 52 18.757 -17.520 0.740 1.00 33.34 O ATOM 922 CB ALA A 52 17.582 -15.080 0.251 1.00 3.11 C ATOM 0 H ALA A 52 19.864 -13.450 1.681 1.00 73.01 H new ATOM 0 HA ALA A 52 18.385 -15.013 2.232 1.00 10.21 H new ATOM 0 HB1 ALA A 52 16.862 -15.866 0.480 1.00 3.11 H new ATOM 0 HB2 ALA A 52 17.101 -14.107 0.349 1.00 3.11 H new ATOM 0 HB3 ALA A 52 17.943 -15.205 -0.770 1.00 3.11 H new ATOM 928 N LEU A 53 20.654 -16.633 1.565 1.00 50.22 N ATOM 929 CA LEU A 53 21.380 -17.897 1.553 1.00 31.30 C ATOM 930 C LEU A 53 21.084 -18.707 2.811 1.00 35.23 C ATOM 931 O LEU A 53 21.064 -19.938 2.780 1.00 32.34 O ATOM 932 CB LEU A 53 22.885 -17.643 1.439 1.00 11.22 C ATOM 933 CG LEU A 53 23.662 -18.607 0.543 1.00 54.23 C ATOM 934 CD1 LEU A 53 23.550 -20.031 1.066 1.00 70.32 C ATOM 935 CD2 LEU A 53 23.161 -18.524 -0.892 1.00 24.41 C ATOM 0 H LEU A 53 21.194 -15.840 1.910 1.00 50.22 H new ATOM 0 HA LEU A 53 21.048 -18.470 0.687 1.00 31.30 H new ATOM 0 HB2 LEU A 53 23.035 -16.630 1.065 1.00 11.22 H new ATOM 0 HB3 LEU A 53 23.316 -17.681 2.439 1.00 11.22 H new ATOM 0 HG LEU A 53 24.713 -18.318 0.558 1.00 54.23 H new ATOM 0 HD11 LEU A 53 24.110 -20.703 0.415 1.00 70.32 H new ATOM 0 HD12 LEU A 53 23.958 -20.081 2.076 1.00 70.32 H new ATOM 0 HD13 LEU A 53 22.502 -20.331 1.083 1.00 70.32 H new ATOM 0 HD21 LEU A 53 23.726 -19.217 -1.515 1.00 24.41 H new ATOM 0 HD22 LEU A 53 22.104 -18.786 -0.924 1.00 24.41 H new ATOM 0 HD23 LEU A 53 23.294 -17.509 -1.266 1.00 24.41 H new ATOM 947 N LYS A 54 20.851 -18.009 3.917 1.00 5.21 N ATOM 948 CA LYS A 54 20.552 -18.662 5.186 1.00 44.43 C ATOM 949 C LYS A 54 19.063 -18.572 5.506 1.00 44.53 C ATOM 950 O LYS A 54 18.498 -19.468 6.131 1.00 11.31 O ATOM 951 CB LYS A 54 21.365 -18.025 6.315 1.00 71.33 C ATOM 952 CG LYS A 54 22.866 -18.201 6.157 1.00 52.50 C ATOM 953 CD LYS A 54 23.281 -19.650 6.350 1.00 43.43 C ATOM 954 CE LYS A 54 24.768 -19.769 6.645 1.00 5.03 C ATOM 955 NZ LYS A 54 25.144 -19.056 7.898 1.00 51.50 N ATOM 0 H LYS A 54 20.863 -16.990 3.960 1.00 5.21 H new ATOM 0 HA LYS A 54 20.825 -19.714 5.098 1.00 44.43 H new ATOM 0 HB2 LYS A 54 21.135 -16.961 6.361 1.00 71.33 H new ATOM 0 HB3 LYS A 54 21.055 -18.460 7.265 1.00 71.33 H new ATOM 0 HG2 LYS A 54 23.171 -17.863 5.166 1.00 52.50 H new ATOM 0 HG3 LYS A 54 23.385 -17.573 6.881 1.00 52.50 H new ATOM 0 HD2 LYS A 54 22.710 -20.087 7.169 1.00 43.43 H new ATOM 0 HD3 LYS A 54 23.040 -20.221 5.453 1.00 43.43 H new ATOM 0 HE2 LYS A 54 25.038 -20.822 6.731 1.00 5.03 H new ATOM 0 HE3 LYS A 54 25.338 -19.361 5.810 1.00 5.03 H new ATOM 0 HZ1 LYS A 54 26.007 -19.481 8.294 1.00 51.50 H new ATOM 0 HZ2 LYS A 54 25.317 -18.052 7.688 1.00 51.50 H new ATOM 0 HZ3 LYS A 54 24.371 -19.137 8.589 1.00 51.50 H new ATOM 969 N ASN A 55 18.433 -17.486 5.070 1.00 1.10 N ATOM 970 CA ASN A 55 17.009 -17.280 5.310 1.00 11.23 C ATOM 971 C ASN A 55 16.210 -17.448 4.020 1.00 65.40 C ATOM 972 O ASN A 55 16.780 -17.580 2.937 1.00 60.22 O ATOM 973 CB ASN A 55 16.765 -15.889 5.896 1.00 4.25 C ATOM 974 CG ASN A 55 17.515 -15.669 7.197 1.00 73.05 C ATOM 975 OD1 ASN A 55 18.061 -16.608 7.776 1.00 22.25 O ATOM 976 ND2 ASN A 55 17.544 -14.425 7.659 1.00 34.54 N ATOM 0 H ASN A 55 18.886 -16.735 4.549 1.00 1.10 H new ATOM 0 HA ASN A 55 16.674 -18.032 6.025 1.00 11.23 H new ATOM 0 HB2 ASN A 55 17.071 -15.134 5.172 1.00 4.25 H new ATOM 0 HB3 ASN A 55 15.697 -15.752 6.068 1.00 4.25 H new ATOM 0 HD21 ASN A 55 18.034 -14.215 8.529 1.00 34.54 H new ATOM 0 HD22 ASN A 55 17.077 -13.679 7.144 1.00 34.54 H new ATOM 983 N LYS A 56 14.888 -17.441 4.144 1.00 23.05 N ATOM 984 CA LYS A 56 14.010 -17.590 2.990 1.00 13.14 C ATOM 985 C LYS A 56 12.966 -16.478 2.953 1.00 64.31 C ATOM 986 O LYS A 56 12.105 -16.393 3.827 1.00 14.33 O ATOM 987 CB LYS A 56 13.316 -18.954 3.025 1.00 51.42 C ATOM 988 CG LYS A 56 13.836 -19.928 1.981 1.00 24.32 C ATOM 989 CD LYS A 56 13.502 -19.468 0.573 1.00 23.20 C ATOM 990 CE LYS A 56 12.223 -20.113 0.063 1.00 23.34 C ATOM 991 NZ LYS A 56 12.337 -20.520 -1.364 1.00 10.41 N ATOM 0 H LYS A 56 14.400 -17.334 5.033 1.00 23.05 H new ATOM 0 HA LYS A 56 14.620 -17.522 2.089 1.00 13.14 H new ATOM 0 HB2 LYS A 56 13.444 -19.392 4.015 1.00 51.42 H new ATOM 0 HB3 LYS A 56 12.246 -18.812 2.876 1.00 51.42 H new ATOM 0 HG2 LYS A 56 14.916 -20.031 2.084 1.00 24.32 H new ATOM 0 HG3 LYS A 56 13.404 -20.914 2.155 1.00 24.32 H new ATOM 0 HD2 LYS A 56 13.394 -18.383 0.560 1.00 23.20 H new ATOM 0 HD3 LYS A 56 14.326 -19.714 -0.096 1.00 23.20 H new ATOM 0 HE2 LYS A 56 11.989 -20.986 0.672 1.00 23.34 H new ATOM 0 HE3 LYS A 56 11.394 -19.414 0.176 1.00 23.34 H new ATOM 0 HZ1 LYS A 56 11.445 -20.955 -1.673 1.00 10.41 H new ATOM 0 HZ2 LYS A 56 12.535 -19.683 -1.949 1.00 10.41 H new ATOM 0 HZ3 LYS A 56 13.111 -21.206 -1.468 1.00 10.41 H new ATOM 1005 N ASN A 57 13.050 -15.628 1.935 1.00 31.33 N ATOM 1006 CA ASN A 57 12.113 -14.521 1.784 1.00 55.12 C ATOM 1007 C ASN A 57 10.923 -14.931 0.921 1.00 71.10 C ATOM 1008 O ASN A 57 11.057 -15.139 -0.285 1.00 60.42 O ATOM 1009 CB ASN A 57 12.815 -13.312 1.163 1.00 1.13 C ATOM 1010 CG ASN A 57 13.922 -12.770 2.046 1.00 21.43 C ATOM 1011 OD1 ASN A 57 14.396 -13.451 2.956 1.00 53.14 O ATOM 1012 ND2 ASN A 57 14.340 -11.537 1.782 1.00 14.42 N ATOM 0 H ASN A 57 13.757 -15.685 1.202 1.00 31.33 H new ATOM 0 HA ASN A 57 11.746 -14.250 2.774 1.00 55.12 H new ATOM 0 HB2 ASN A 57 13.231 -13.594 0.196 1.00 1.13 H new ATOM 0 HB3 ASN A 57 12.083 -12.526 0.978 1.00 1.13 H new ATOM 0 HD21 ASN A 57 15.082 -11.119 2.343 1.00 14.42 H new ATOM 0 HD22 ASN A 57 13.919 -11.008 1.018 1.00 14.42 H new ATOM 1019 N LYS A 58 9.756 -15.043 1.547 1.00 33.30 N ATOM 1020 CA LYS A 58 8.541 -15.426 0.838 1.00 3.44 C ATOM 1021 C LYS A 58 7.343 -14.623 1.339 1.00 22.30 C ATOM 1022 O LYS A 58 7.226 -14.345 2.532 1.00 71.40 O ATOM 1023 CB LYS A 58 8.273 -16.922 1.013 1.00 40.01 C ATOM 1024 CG LYS A 58 7.409 -17.518 -0.085 1.00 4.44 C ATOM 1025 CD LYS A 58 6.964 -18.930 0.259 1.00 45.13 C ATOM 1026 CE LYS A 58 8.145 -19.887 0.317 1.00 53.34 C ATOM 1027 NZ LYS A 58 7.705 -21.309 0.331 1.00 1.25 N ATOM 0 H LYS A 58 9.626 -14.874 2.544 1.00 33.30 H new ATOM 0 HA LYS A 58 8.685 -15.210 -0.221 1.00 3.44 H new ATOM 0 HB2 LYS A 58 9.225 -17.452 1.043 1.00 40.01 H new ATOM 0 HB3 LYS A 58 7.787 -17.085 1.975 1.00 40.01 H new ATOM 0 HG2 LYS A 58 6.534 -16.888 -0.242 1.00 4.44 H new ATOM 0 HG3 LYS A 58 7.966 -17.529 -1.022 1.00 4.44 H new ATOM 0 HD2 LYS A 58 6.449 -18.927 1.220 1.00 45.13 H new ATOM 0 HD3 LYS A 58 6.248 -19.279 -0.485 1.00 45.13 H new ATOM 0 HE2 LYS A 58 8.794 -19.716 -0.542 1.00 53.34 H new ATOM 0 HE3 LYS A 58 8.736 -19.681 1.209 1.00 53.34 H new ATOM 0 HZ1 LYS A 58 8.538 -21.930 0.371 1.00 1.25 H new ATOM 0 HZ2 LYS A 58 7.106 -21.479 1.164 1.00 1.25 H new ATOM 0 HZ3 LYS A 58 7.162 -21.513 -0.532 1.00 1.25 H new ATOM 1041 N ALA A 59 6.458 -14.256 0.420 1.00 11.42 N ATOM 1042 CA ALA A 59 5.268 -13.489 0.768 1.00 24.24 C ATOM 1043 C ALA A 59 4.286 -14.335 1.572 1.00 40.32 C ATOM 1044 O ALA A 59 3.695 -13.862 2.542 1.00 24.43 O ATOM 1045 CB ALA A 59 4.599 -12.950 -0.487 1.00 71.32 C ATOM 0 H ALA A 59 6.542 -14.477 -0.572 1.00 11.42 H new ATOM 0 HA ALA A 59 5.577 -12.648 1.389 1.00 24.24 H new ATOM 0 HB1 ALA A 59 3.712 -12.380 -0.210 1.00 71.32 H new ATOM 0 HB2 ALA A 59 5.295 -12.303 -1.021 1.00 71.32 H new ATOM 0 HB3 ALA A 59 4.310 -13.781 -1.131 1.00 71.32 H new ATOM 1051 N GLU A 60 4.115 -15.587 1.161 1.00 52.03 N ATOM 1052 CA GLU A 60 3.202 -16.497 1.842 1.00 60.35 C ATOM 1053 C GLU A 60 3.963 -17.424 2.787 1.00 40.13 C ATOM 1054 O GLU A 60 3.459 -17.793 3.847 1.00 55.21 O ATOM 1055 CB GLU A 60 2.416 -17.324 0.823 1.00 40.01 C ATOM 1056 CG GLU A 60 1.161 -16.633 0.317 1.00 1.41 C ATOM 1057 CD GLU A 60 1.466 -15.456 -0.589 1.00 34.43 C ATOM 1058 OE1 GLU A 60 2.043 -15.677 -1.674 1.00 41.32 O ATOM 1059 OE2 GLU A 60 1.128 -14.314 -0.211 1.00 74.44 O ATOM 0 H GLU A 60 4.597 -15.994 0.360 1.00 52.03 H new ATOM 0 HA GLU A 60 2.505 -15.899 2.429 1.00 60.35 H new ATOM 0 HB2 GLU A 60 3.063 -17.551 -0.025 1.00 40.01 H new ATOM 0 HB3 GLU A 60 2.139 -18.276 1.276 1.00 40.01 H new ATOM 0 HG2 GLU A 60 0.548 -17.353 -0.224 1.00 1.41 H new ATOM 0 HG3 GLU A 60 0.573 -16.289 1.168 1.00 1.41 H new TER 1066 GLU A 60 HETATM 1067 ZN ZN A 100 4.181 12.953 -4.662 1.00 73.01 ZN