USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 474 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 29 ASN : amide:sc= -3.99 K(o=-4,f=-7.1!) USER MOD Set 1.2: A 34 GLN : amide:sc=-0.00768 X(o=-4,f=-4) USER MOD Single : A 1 ALA N :NH3+ -137:sc= 0.211 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -131:sc= -0.45 (180deg=-1.24) USER MOD Single : A 8 SER OG : rot 75:sc= 1.2 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.871 K(o=-0.87,f=-5.5!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0605 USER MOD Single : A 20 THR OG1 : rot 12:sc= -0.876! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.59) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 130:sc= -2.28! USER MOD Single : A 30 SER OG : rot -95:sc= 1.07 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0178 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -1.23 F(o=-2.3!,f=-1.2) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 1.25 K(o=1.2,f=-0.15) USER MOD Single : A 48 ASN : amide:sc= -1.93! C(o=-1.9!,f=-1.9!) USER MOD Single : A 49 ASN : amide:sc= -4.31! C(o=-4.3!,f=-6.2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.03 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.368 K(o=0.37,f=-3.5!) USER MOD Single : A 58 GLN : amide:sc= -0.0882 K(o=-0.088,f=-0.63) USER MOD Single : A 59 THR OG1 : rot 104:sc= 1.09 USER MOD Single : A 61 GLN : amide:sc= -2.39! C(o=-2.4!,f=-7.7!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.988 5.877 -5.232 1.00 64.24 N ATOM 2 CA ALA A 1 5.274 5.102 -6.252 1.00 31.21 C ATOM 3 C ALA A 1 5.367 3.642 -5.882 1.00 22.13 C ATOM 4 O ALA A 1 5.893 3.318 -4.818 1.00 73.43 O ATOM 5 CB ALA A 1 5.894 5.347 -7.618 1.00 52.31 C ATOM 0 H1 ALA A 1 5.432 6.720 -4.984 1.00 64.24 H new ATOM 0 H2 ALA A 1 6.125 5.291 -4.384 1.00 64.24 H new ATOM 0 H3 ALA A 1 6.914 6.170 -5.604 1.00 64.24 H new ATOM 0 HA ALA A 1 4.228 5.406 -6.298 1.00 31.21 H new ATOM 0 HB1 ALA A 1 5.358 4.768 -8.370 1.00 52.31 H new ATOM 0 HB2 ALA A 1 5.829 6.407 -7.862 1.00 52.31 H new ATOM 0 HB3 ALA A 1 6.940 5.042 -7.603 1.00 52.31 H new ATOM 13 N ARG A 2 4.881 2.755 -6.740 1.00 32.43 N ATOM 14 CA ARG A 2 4.878 1.305 -6.566 1.00 11.31 C ATOM 15 C ARG A 2 4.852 0.732 -7.971 1.00 73.21 C ATOM 16 O ARG A 2 4.417 1.477 -8.848 1.00 75.24 O ATOM 17 CB ARG A 2 3.589 0.841 -5.866 1.00 1.35 C ATOM 18 CG ARG A 2 3.361 1.339 -4.466 1.00 64.04 C ATOM 19 CD ARG A 2 1.987 0.927 -4.011 1.00 62.22 C ATOM 20 NE ARG A 2 1.658 1.447 -2.696 1.00 64.35 N ATOM 21 CZ ARG A 2 0.715 2.354 -2.471 1.00 41.04 C ATOM 22 NH1 ARG A 2 0.185 3.020 -3.496 1.00 2.44 N ATOM 23 NH2 ARG A 2 0.346 2.633 -1.229 1.00 1.53 N ATOM 0 H ARG A 2 4.456 3.040 -7.622 1.00 32.43 H new ATOM 0 HA ARG A 2 5.736 0.989 -5.972 1.00 11.31 H new ATOM 0 HB2 ARG A 2 2.741 1.148 -6.478 1.00 1.35 H new ATOM 0 HB3 ARG A 2 3.588 -0.249 -5.843 1.00 1.35 H new ATOM 0 HG2 ARG A 2 4.117 0.931 -3.795 1.00 64.04 H new ATOM 0 HG3 ARG A 2 3.458 2.424 -4.433 1.00 64.04 H new ATOM 0 HD2 ARG A 2 1.249 1.278 -4.732 1.00 62.22 H new ATOM 0 HD3 ARG A 2 1.924 -0.161 -3.994 1.00 62.22 H new ATOM 0 HE ARG A 2 2.183 1.094 -1.896 1.00 64.35 H new ATOM 0 HH11 ARG A 2 0.504 2.832 -4.446 1.00 2.44 H new ATOM 0 HH12 ARG A 2 -0.540 3.718 -3.330 1.00 2.44 H new ATOM 0 HH21 ARG A 2 0.787 2.151 -0.446 1.00 1.53 H new ATOM 0 HH22 ARG A 2 -0.379 3.330 -1.057 1.00 1.53 H new ATOM 37 N PRO A 3 5.211 -0.578 -8.208 1.00 20.00 N ATOM 38 CA PRO A 3 5.364 -1.233 -9.520 1.00 75.34 C ATOM 39 C PRO A 3 5.087 -0.375 -10.777 1.00 52.22 C ATOM 40 O PRO A 3 4.080 -0.546 -11.471 1.00 65.12 O ATOM 41 CB PRO A 3 4.408 -2.398 -9.343 1.00 11.31 C ATOM 42 CG PRO A 3 4.613 -2.785 -7.881 1.00 21.21 C ATOM 43 CD PRO A 3 5.368 -1.624 -7.214 1.00 14.12 C ATOM 0 HA PRO A 3 6.399 -1.495 -9.740 1.00 75.34 H new ATOM 0 HB2 PRO A 3 3.376 -2.109 -9.544 1.00 11.31 H new ATOM 0 HB3 PRO A 3 4.645 -3.222 -10.016 1.00 11.31 H new ATOM 0 HG2 PRO A 3 3.656 -2.956 -7.389 1.00 21.21 H new ATOM 0 HG3 PRO A 3 5.182 -3.711 -7.803 1.00 21.21 H new ATOM 0 HD2 PRO A 3 4.933 -1.348 -6.254 1.00 14.12 H new ATOM 0 HD3 PRO A 3 6.415 -1.865 -7.032 1.00 14.12 H new ATOM 51 N LYS A 4 5.956 0.632 -10.922 1.00 3.11 N ATOM 52 CA LYS A 4 5.996 1.526 -12.093 1.00 62.35 C ATOM 53 C LYS A 4 5.674 0.760 -13.387 1.00 60.04 C ATOM 54 O LYS A 4 6.252 -0.304 -13.656 1.00 70.24 O ATOM 55 CB LYS A 4 7.379 2.260 -12.198 1.00 63.21 C ATOM 56 CG LYS A 4 7.750 3.018 -10.935 1.00 44.22 C ATOM 57 CD LYS A 4 8.976 3.873 -11.167 1.00 44.35 C ATOM 58 CE LYS A 4 8.706 4.907 -12.244 1.00 61.04 C ATOM 59 NZ LYS A 4 9.864 5.769 -12.505 1.00 4.30 N ATOM 0 H LYS A 4 6.663 0.855 -10.221 1.00 3.11 H new ATOM 0 HA LYS A 4 5.227 2.286 -11.957 1.00 62.35 H new ATOM 0 HB2 LYS A 4 8.156 1.528 -12.416 1.00 63.21 H new ATOM 0 HB3 LYS A 4 7.351 2.955 -13.037 1.00 63.21 H new ATOM 0 HG2 LYS A 4 6.916 3.646 -10.623 1.00 44.22 H new ATOM 0 HG3 LYS A 4 7.939 2.314 -10.124 1.00 44.22 H new ATOM 0 HD2 LYS A 4 9.260 4.371 -10.240 1.00 44.35 H new ATOM 0 HD3 LYS A 4 9.816 3.243 -11.461 1.00 44.35 H new ATOM 0 HE2 LYS A 4 8.421 4.400 -13.166 1.00 61.04 H new ATOM 0 HE3 LYS A 4 7.859 5.524 -11.945 1.00 61.04 H new ATOM 0 HZ1 LYS A 4 9.564 6.765 -12.498 1.00 4.30 H new ATOM 0 HZ2 LYS A 4 10.582 5.619 -11.768 1.00 4.30 H new ATOM 0 HZ3 LYS A 4 10.268 5.535 -13.434 1.00 4.30 H new ATOM 73 N ASP A 5 4.761 1.310 -14.172 1.00 1.02 N ATOM 74 CA ASP A 5 4.403 0.751 -15.485 1.00 44.44 C ATOM 75 C ASP A 5 5.349 1.335 -16.446 1.00 35.12 C ATOM 76 O ASP A 5 6.381 1.885 -16.020 1.00 23.11 O ATOM 77 CB ASP A 5 2.944 1.067 -15.871 1.00 4.12 C ATOM 78 CG ASP A 5 1.929 0.398 -14.966 1.00 20.14 C ATOM 79 OD1 ASP A 5 1.565 0.981 -13.917 1.00 14.43 O ATOM 80 OD2 ASP A 5 1.474 -0.719 -15.281 1.00 0.14 O ATOM 0 H ASP A 5 4.243 2.154 -13.926 1.00 1.02 H new ATOM 0 HA ASP A 5 4.469 -0.337 -15.472 1.00 44.44 H new ATOM 0 HB2 ASP A 5 2.793 2.146 -15.841 1.00 4.12 H new ATOM 0 HB3 ASP A 5 2.770 0.749 -16.899 1.00 4.12 H new ATOM 85 N ARG A 6 5.078 1.248 -17.747 1.00 22.51 N ATOM 86 CA ARG A 6 5.705 1.935 -18.845 1.00 31.24 C ATOM 87 C ARG A 6 6.070 3.339 -18.426 1.00 40.13 C ATOM 88 O ARG A 6 5.275 4.057 -17.779 1.00 60.50 O ATOM 89 CB ARG A 6 4.664 2.149 -19.960 1.00 74.52 C ATOM 90 CG ARG A 6 3.905 0.942 -20.469 1.00 41.11 C ATOM 91 CD ARG A 6 2.917 1.398 -21.533 1.00 32.42 C ATOM 92 NE ARG A 6 1.771 0.491 -21.709 1.00 43.32 N ATOM 93 CZ ARG A 6 0.660 0.813 -22.396 1.00 12.44 C ATOM 94 NH1 ARG A 6 0.668 1.864 -23.218 1.00 62.34 N ATOM 95 NH2 ARG A 6 -0.427 0.051 -22.313 1.00 61.43 N ATOM 0 H ARG A 6 4.338 0.629 -18.078 1.00 22.51 H new ATOM 0 HA ARG A 6 6.568 1.348 -19.159 1.00 31.24 H new ATOM 0 HB2 ARG A 6 3.934 2.874 -19.600 1.00 74.52 H new ATOM 0 HB3 ARG A 6 5.174 2.605 -20.809 1.00 74.52 H new ATOM 0 HG2 ARG A 6 4.596 0.209 -20.885 1.00 41.11 H new ATOM 0 HG3 ARG A 6 3.378 0.454 -19.649 1.00 41.11 H new ATOM 0 HD2 ARG A 6 2.547 2.389 -21.271 1.00 32.42 H new ATOM 0 HD3 ARG A 6 3.441 1.495 -22.484 1.00 32.42 H new ATOM 0 HE ARG A 6 1.822 -0.435 -21.285 1.00 43.32 H new ATOM 0 HH11 ARG A 6 1.515 2.422 -23.325 1.00 62.34 H new ATOM 0 HH12 ARG A 6 -0.173 2.110 -23.740 1.00 62.34 H new ATOM 0 HH21 ARG A 6 -0.422 -0.783 -21.726 1.00 61.43 H new ATOM 0 HH22 ARG A 6 -1.266 0.301 -22.836 1.00 61.43 H new ATOM 109 N PRO A 7 7.313 3.699 -18.767 1.00 54.15 N ATOM 110 CA PRO A 7 7.893 5.027 -18.646 1.00 21.01 C ATOM 111 C PRO A 7 6.902 6.150 -18.803 1.00 22.42 C ATOM 112 O PRO A 7 6.886 7.054 -17.963 1.00 3.23 O ATOM 113 CB PRO A 7 8.866 5.000 -19.810 1.00 33.15 C ATOM 114 CG PRO A 7 9.427 3.636 -19.794 1.00 11.12 C ATOM 115 CD PRO A 7 8.330 2.753 -19.296 1.00 0.04 C ATOM 0 HA PRO A 7 8.321 5.218 -17.662 1.00 21.01 H new ATOM 0 HB2 PRO A 7 8.362 5.210 -20.753 1.00 33.15 H new ATOM 0 HB3 PRO A 7 9.647 5.751 -19.692 1.00 33.15 H new ATOM 0 HG2 PRO A 7 9.751 3.334 -20.790 1.00 11.12 H new ATOM 0 HG3 PRO A 7 10.300 3.580 -19.144 1.00 11.12 H new ATOM 0 HD2 PRO A 7 7.922 2.135 -20.096 1.00 0.04 H new ATOM 0 HD3 PRO A 7 8.685 2.075 -18.520 1.00 0.04 H new ATOM 123 N SER A 8 6.102 6.092 -19.874 1.00 63.23 N ATOM 124 CA SER A 8 5.020 7.033 -20.174 1.00 53.20 C ATOM 125 C SER A 8 5.495 8.482 -20.288 1.00 34.41 C ATOM 126 O SER A 8 5.626 9.010 -21.384 1.00 63.34 O ATOM 127 CB SER A 8 3.881 6.906 -19.150 1.00 34.10 C ATOM 128 OG SER A 8 3.400 5.572 -19.099 1.00 60.34 O ATOM 0 H SER A 8 6.195 5.362 -20.580 1.00 63.23 H new ATOM 0 HA SER A 8 4.639 6.758 -21.158 1.00 53.20 H new ATOM 0 HB2 SER A 8 4.236 7.208 -18.165 1.00 34.10 H new ATOM 0 HB3 SER A 8 3.068 7.581 -19.417 1.00 34.10 H new ATOM 0 HG SER A 8 4.044 5.010 -18.620 1.00 60.34 H new ATOM 134 N TYR A 9 5.814 9.096 -19.148 1.00 55.33 N ATOM 135 CA TYR A 9 6.198 10.499 -19.083 1.00 34.42 C ATOM 136 C TYR A 9 7.599 10.613 -19.619 1.00 74.50 C ATOM 137 O TYR A 9 8.023 11.605 -20.185 1.00 4.02 O ATOM 138 CB TYR A 9 6.169 10.882 -17.634 1.00 1.10 C ATOM 139 CG TYR A 9 4.781 10.835 -17.104 1.00 24.33 C ATOM 140 CD1 TYR A 9 3.762 11.368 -17.863 1.00 23.13 C ATOM 141 CD2 TYR A 9 4.473 10.241 -15.890 1.00 63.22 C ATOM 142 CE1 TYR A 9 2.455 11.328 -17.427 1.00 54.34 C ATOM 143 CE2 TYR A 9 3.169 10.188 -15.442 1.00 12.32 C ATOM 144 CZ TYR A 9 2.163 10.735 -16.214 1.00 25.11 C ATOM 145 OH TYR A 9 0.858 10.681 -15.778 1.00 31.30 O ATOM 0 H TYR A 9 5.812 8.628 -18.242 1.00 55.33 H new ATOM 0 HA TYR A 9 5.536 11.144 -19.660 1.00 34.42 H new ATOM 0 HB2 TYR A 9 6.805 10.206 -17.062 1.00 1.10 H new ATOM 0 HB3 TYR A 9 6.577 11.885 -17.510 1.00 1.10 H new ATOM 0 HD1 TYR A 9 3.991 11.824 -18.815 1.00 23.13 H new ATOM 0 HD2 TYR A 9 5.262 9.815 -15.288 1.00 63.22 H new ATOM 0 HE1 TYR A 9 1.667 11.756 -18.028 1.00 54.34 H new ATOM 0 HE2 TYR A 9 2.937 9.723 -14.495 1.00 12.32 H new ATOM 0 HH TYR A 9 0.822 10.231 -14.908 1.00 31.30 H new ATOM 155 N CYS A 10 8.271 9.504 -19.368 1.00 23.13 N ATOM 156 CA CYS A 10 9.593 9.382 -19.866 1.00 4.14 C ATOM 157 C CYS A 10 9.520 9.551 -21.414 1.00 4.34 C ATOM 158 O CYS A 10 10.307 10.238 -21.994 1.00 11.22 O ATOM 159 CB CYS A 10 10.106 7.978 -19.593 1.00 22.44 C ATOM 160 SG CYS A 10 10.034 7.431 -17.850 1.00 34.31 S ATOM 0 H CYS A 10 7.921 8.707 -18.837 1.00 23.13 H new ATOM 0 HA CYS A 10 10.243 10.121 -19.398 1.00 4.14 H new ATOM 0 HB2 CYS A 10 9.531 7.277 -20.198 1.00 22.44 H new ATOM 0 HB3 CYS A 10 11.140 7.917 -19.931 1.00 22.44 H new ATOM 165 N ASN A 11 8.468 9.063 -22.028 1.00 53.32 N ATOM 166 CA ASN A 11 8.368 8.987 -23.478 1.00 2.52 C ATOM 167 C ASN A 11 7.709 10.210 -24.094 1.00 0.10 C ATOM 168 O ASN A 11 7.422 10.232 -25.291 1.00 71.55 O ATOM 169 CB ASN A 11 7.748 7.717 -23.980 1.00 74.35 C ATOM 170 CG ASN A 11 8.533 6.451 -23.601 1.00 41.52 C ATOM 171 OD1 ASN A 11 9.153 6.377 -22.549 1.00 33.21 O ATOM 172 ND2 ASN A 11 8.542 5.474 -24.468 1.00 52.35 N ATOM 0 H ASN A 11 7.649 8.704 -21.538 1.00 53.32 H new ATOM 0 HA ASN A 11 9.403 8.973 -23.819 1.00 2.52 H new ATOM 0 HB2 ASN A 11 6.735 7.637 -23.585 1.00 74.35 H new ATOM 0 HB3 ASN A 11 7.663 7.769 -25.065 1.00 74.35 H new ATOM 0 HD21 ASN A 11 9.074 4.626 -24.275 1.00 52.35 H new ATOM 0 HD22 ASN A 11 8.017 5.560 -25.338 1.00 52.35 H new ATOM 179 N LEU A 12 7.386 11.183 -23.275 1.00 23.40 N ATOM 180 CA LEU A 12 6.669 12.365 -23.748 1.00 44.01 C ATOM 181 C LEU A 12 7.620 13.419 -24.367 1.00 61.32 C ATOM 182 O LEU A 12 8.688 13.709 -23.823 1.00 31.42 O ATOM 183 CB LEU A 12 5.806 12.971 -22.643 1.00 32.34 C ATOM 184 CG LEU A 12 4.634 12.129 -22.142 1.00 23.14 C ATOM 185 CD1 LEU A 12 3.860 12.900 -21.089 1.00 41.54 C ATOM 186 CD2 LEU A 12 3.714 11.739 -23.295 1.00 14.34 C ATOM 0 H LEU A 12 7.603 11.189 -22.278 1.00 23.40 H new ATOM 0 HA LEU A 12 6.004 12.034 -24.546 1.00 44.01 H new ATOM 0 HB2 LEU A 12 6.451 13.195 -21.793 1.00 32.34 H new ATOM 0 HB3 LEU A 12 5.412 13.921 -23.003 1.00 32.34 H new ATOM 0 HG LEU A 12 5.028 11.214 -21.699 1.00 23.14 H new ATOM 0 HD11 LEU A 12 3.025 12.295 -20.735 1.00 41.54 H new ATOM 0 HD12 LEU A 12 4.518 13.135 -20.253 1.00 41.54 H new ATOM 0 HD13 LEU A 12 3.480 13.825 -21.522 1.00 41.54 H new ATOM 0 HD21 LEU A 12 2.887 11.140 -22.914 1.00 14.34 H new ATOM 0 HD22 LEU A 12 3.322 12.639 -23.768 1.00 14.34 H new ATOM 0 HD23 LEU A 12 4.275 11.159 -24.028 1.00 14.34 H new ATOM 198 N PRO A 13 7.216 13.998 -25.524 1.00 2.42 N ATOM 199 CA PRO A 13 8.024 14.948 -26.298 1.00 54.22 C ATOM 200 C PRO A 13 7.962 16.409 -25.791 1.00 44.14 C ATOM 201 O PRO A 13 6.944 16.876 -25.245 1.00 55.23 O ATOM 202 CB PRO A 13 7.413 14.863 -27.712 1.00 74.43 C ATOM 203 CG PRO A 13 6.268 13.902 -27.622 1.00 71.31 C ATOM 204 CD PRO A 13 5.933 13.762 -26.176 1.00 33.32 C ATOM 0 HA PRO A 13 9.081 14.689 -26.232 1.00 54.22 H new ATOM 0 HB2 PRO A 13 7.072 15.843 -28.047 1.00 74.43 H new ATOM 0 HB3 PRO A 13 8.153 14.519 -28.435 1.00 74.43 H new ATOM 0 HG2 PRO A 13 5.409 14.271 -28.183 1.00 71.31 H new ATOM 0 HG3 PRO A 13 6.539 12.937 -28.051 1.00 71.31 H new ATOM 0 HD2 PRO A 13 5.181 14.486 -25.863 1.00 33.32 H new ATOM 0 HD3 PRO A 13 5.538 12.772 -25.946 1.00 33.32 H new ATOM 212 N ALA A 14 9.075 17.091 -25.994 1.00 60.21 N ATOM 213 CA ALA A 14 9.254 18.492 -25.607 1.00 55.21 C ATOM 214 C ALA A 14 8.318 19.423 -26.414 1.00 43.45 C ATOM 215 O ALA A 14 8.123 19.208 -27.610 1.00 1.13 O ATOM 216 CB ALA A 14 10.694 18.887 -25.851 1.00 12.55 C ATOM 0 H ALA A 14 9.898 16.686 -26.440 1.00 60.21 H new ATOM 0 HA ALA A 14 9.004 18.597 -24.551 1.00 55.21 H new ATOM 0 HB1 ALA A 14 10.839 19.929 -25.566 1.00 12.55 H new ATOM 0 HB2 ALA A 14 11.351 18.253 -25.255 1.00 12.55 H new ATOM 0 HB3 ALA A 14 10.931 18.763 -26.908 1.00 12.55 H new ATOM 222 N ASP A 15 7.774 20.444 -25.759 1.00 61.14 N ATOM 223 CA ASP A 15 7.143 21.598 -26.401 1.00 3.43 C ATOM 224 C ASP A 15 7.578 22.840 -25.670 1.00 33.24 C ATOM 225 O ASP A 15 7.431 22.944 -24.467 1.00 3.54 O ATOM 226 CB ASP A 15 5.587 21.587 -26.528 1.00 60.00 C ATOM 227 CG ASP A 15 5.004 20.557 -27.474 1.00 31.35 C ATOM 228 OD1 ASP A 15 5.306 20.599 -28.693 1.00 52.52 O ATOM 229 OD2 ASP A 15 4.185 19.724 -27.049 1.00 61.40 O ATOM 0 H ASP A 15 7.758 20.495 -24.740 1.00 61.14 H new ATOM 0 HA ASP A 15 7.483 21.562 -27.436 1.00 3.43 H new ATOM 0 HB2 ASP A 15 5.163 21.422 -25.537 1.00 60.00 H new ATOM 0 HB3 ASP A 15 5.262 22.575 -26.854 1.00 60.00 H new ATOM 234 N SER A 16 8.216 23.741 -26.380 1.00 35.41 N ATOM 235 CA SER A 16 8.737 24.890 -25.689 1.00 23.12 C ATOM 236 C SER A 16 7.774 26.042 -25.308 1.00 60.11 C ATOM 237 O SER A 16 7.976 26.675 -24.280 1.00 1.44 O ATOM 238 CB SER A 16 10.030 25.363 -26.323 1.00 35.33 C ATOM 239 OG SER A 16 9.862 25.743 -27.690 1.00 62.43 O ATOM 0 H SER A 16 8.380 23.705 -27.386 1.00 35.41 H new ATOM 0 HA SER A 16 8.937 24.497 -24.692 1.00 23.12 H new ATOM 0 HB2 SER A 16 10.419 26.211 -25.759 1.00 35.33 H new ATOM 0 HB3 SER A 16 10.774 24.569 -26.259 1.00 35.33 H new ATOM 0 HG SER A 16 10.721 26.042 -28.054 1.00 62.43 H new ATOM 245 N GLY A 17 6.690 26.237 -26.028 1.00 5.34 N ATOM 246 CA GLY A 17 5.839 27.408 -25.759 1.00 12.35 C ATOM 247 C GLY A 17 6.434 28.678 -26.393 1.00 43.12 C ATOM 248 O GLY A 17 7.387 28.641 -27.168 1.00 33.51 O ATOM 0 H GLY A 17 6.372 25.630 -26.783 1.00 5.34 H new ATOM 0 HA2 GLY A 17 4.838 27.234 -26.155 1.00 12.35 H new ATOM 0 HA3 GLY A 17 5.736 27.548 -24.683 1.00 12.35 H new ATOM 252 N SER A 18 5.792 29.787 -26.028 1.00 11.45 N ATOM 253 CA SER A 18 6.117 31.070 -26.721 1.00 53.41 C ATOM 254 C SER A 18 7.190 31.846 -25.943 1.00 23.42 C ATOM 255 O SER A 18 7.644 32.936 -26.300 1.00 40.43 O ATOM 256 CB SER A 18 4.842 31.874 -26.939 1.00 74.40 C ATOM 257 OG SER A 18 4.146 32.036 -25.711 1.00 54.32 O ATOM 0 H SER A 18 5.080 29.845 -25.300 1.00 11.45 H new ATOM 0 HA SER A 18 6.540 30.863 -27.704 1.00 53.41 H new ATOM 0 HB2 SER A 18 5.087 32.850 -27.358 1.00 74.40 H new ATOM 0 HB3 SER A 18 4.204 31.367 -27.663 1.00 74.40 H new ATOM 0 HG SER A 18 3.329 32.556 -25.864 1.00 54.32 H new ATOM 263 N GLY A 19 7.574 31.170 -24.939 1.00 22.24 N ATOM 264 CA GLY A 19 8.721 31.614 -24.236 1.00 13.11 C ATOM 265 C GLY A 19 8.464 32.604 -23.169 1.00 63.41 C ATOM 266 O GLY A 19 7.618 33.497 -23.288 1.00 44.35 O ATOM 0 H GLY A 19 7.129 30.324 -24.584 1.00 22.24 H new ATOM 0 HA2 GLY A 19 9.214 30.748 -23.794 1.00 13.11 H new ATOM 0 HA3 GLY A 19 9.420 32.048 -24.951 1.00 13.11 H new ATOM 270 N THR A 20 9.150 32.399 -22.115 1.00 22.40 N ATOM 271 CA THR A 20 9.177 33.238 -20.995 1.00 4.22 C ATOM 272 C THR A 20 10.477 33.116 -20.181 1.00 33.43 C ATOM 273 O THR A 20 11.223 34.089 -20.017 1.00 3.31 O ATOM 274 CB THR A 20 7.866 33.103 -20.182 1.00 51.01 C ATOM 275 OG1 THR A 20 6.666 33.592 -20.746 1.00 45.14 O ATOM 276 CG2 THR A 20 7.635 31.711 -19.584 1.00 73.03 C ATOM 0 H THR A 20 9.749 31.580 -22.009 1.00 22.40 H new ATOM 0 HA THR A 20 9.205 34.272 -21.338 1.00 4.22 H new ATOM 0 HB THR A 20 8.095 33.812 -19.386 1.00 51.01 H new ATOM 0 HG1 THR A 20 6.808 33.790 -21.695 1.00 45.14 H new ATOM 0 HG21 THR A 20 6.696 31.704 -19.031 1.00 73.03 H new ATOM 0 HG22 THR A 20 7.590 30.974 -20.385 1.00 73.03 H new ATOM 0 HG23 THR A 20 8.455 31.464 -18.909 1.00 73.03 H new ATOM 284 N LYS A 21 10.758 31.921 -19.736 1.00 60.22 N ATOM 285 CA LYS A 21 12.047 31.642 -19.150 1.00 10.32 C ATOM 286 C LYS A 21 12.725 30.552 -19.971 1.00 54.41 C ATOM 287 O LYS A 21 12.347 29.400 -19.884 1.00 45.35 O ATOM 288 CB LYS A 21 11.950 31.236 -17.680 1.00 63.11 C ATOM 289 CG LYS A 21 11.437 32.327 -16.766 1.00 13.03 C ATOM 290 CD LYS A 21 11.531 31.902 -15.321 1.00 42.50 C ATOM 291 CE LYS A 21 11.082 33.007 -14.389 1.00 41.14 C ATOM 292 NZ LYS A 21 11.277 32.643 -12.977 1.00 40.13 N ATOM 0 H LYS A 21 10.118 31.127 -19.766 1.00 60.22 H new ATOM 0 HA LYS A 21 12.641 32.556 -19.170 1.00 10.32 H new ATOM 0 HB2 LYS A 21 11.294 30.370 -17.597 1.00 63.11 H new ATOM 0 HB3 LYS A 21 12.936 30.923 -17.336 1.00 63.11 H new ATOM 0 HG2 LYS A 21 12.014 33.239 -16.920 1.00 13.03 H new ATOM 0 HG3 LYS A 21 10.402 32.560 -17.015 1.00 13.03 H new ATOM 0 HD2 LYS A 21 10.916 31.016 -15.160 1.00 42.50 H new ATOM 0 HD3 LYS A 21 12.559 31.623 -15.088 1.00 42.50 H new ATOM 0 HE2 LYS A 21 11.639 33.918 -14.610 1.00 41.14 H new ATOM 0 HE3 LYS A 21 10.029 33.226 -14.566 1.00 41.14 H new ATOM 0 HZ1 LYS A 21 10.958 33.425 -12.370 1.00 40.13 H new ATOM 0 HZ2 LYS A 21 10.726 31.788 -12.759 1.00 40.13 H new ATOM 0 HZ3 LYS A 21 12.285 32.458 -12.802 1.00 40.13 H new ATOM 306 N PRO A 22 13.703 30.920 -20.827 1.00 71.30 N ATOM 307 CA PRO A 22 14.406 29.965 -21.689 1.00 23.25 C ATOM 308 C PRO A 22 15.442 29.223 -20.888 1.00 41.13 C ATOM 309 O PRO A 22 16.419 29.821 -20.421 1.00 22.44 O ATOM 310 CB PRO A 22 15.091 30.855 -22.746 1.00 22.01 C ATOM 311 CG PRO A 22 14.737 32.272 -22.393 1.00 34.13 C ATOM 312 CD PRO A 22 14.252 32.268 -20.976 1.00 71.30 C ATOM 0 HA PRO A 22 13.744 29.219 -22.130 1.00 23.25 H new ATOM 0 HB2 PRO A 22 16.171 30.710 -22.737 1.00 22.01 H new ATOM 0 HB3 PRO A 22 14.745 30.605 -23.749 1.00 22.01 H new ATOM 0 HG2 PRO A 22 15.604 32.923 -22.501 1.00 34.13 H new ATOM 0 HG3 PRO A 22 13.966 32.654 -23.062 1.00 34.13 H new ATOM 0 HD2 PRO A 22 15.061 32.456 -20.271 1.00 71.30 H new ATOM 0 HD3 PRO A 22 13.496 33.034 -20.805 1.00 71.30 H new ATOM 320 N GLU A 23 15.243 27.953 -20.685 1.00 30.53 N ATOM 321 CA GLU A 23 16.087 27.186 -19.831 1.00 53.51 C ATOM 322 C GLU A 23 16.464 25.904 -20.540 1.00 34.40 C ATOM 323 O GLU A 23 15.765 25.485 -21.495 1.00 71.22 O ATOM 324 CB GLU A 23 15.298 26.815 -18.573 1.00 12.23 C ATOM 325 CG GLU A 23 14.690 27.997 -17.845 1.00 34.44 C ATOM 326 CD GLU A 23 13.914 27.591 -16.638 1.00 63.21 C ATOM 327 OE1 GLU A 23 12.858 26.936 -16.780 1.00 60.51 O ATOM 328 OE2 GLU A 23 14.330 27.923 -15.513 1.00 21.43 O ATOM 0 H GLU A 23 14.484 27.422 -21.112 1.00 30.53 H new ATOM 0 HA GLU A 23 16.979 27.759 -19.575 1.00 53.51 H new ATOM 0 HB2 GLU A 23 14.501 26.125 -18.849 1.00 12.23 H new ATOM 0 HB3 GLU A 23 15.958 26.282 -17.888 1.00 12.23 H new ATOM 0 HG2 GLU A 23 15.483 28.683 -17.548 1.00 34.44 H new ATOM 0 HG3 GLU A 23 14.036 28.541 -18.526 1.00 34.44 H new ATOM 335 N GLN A 24 17.540 25.288 -20.099 1.00 34.12 N ATOM 336 CA GLN A 24 17.828 23.951 -20.485 1.00 63.51 C ATOM 337 C GLN A 24 17.073 23.109 -19.570 1.00 23.23 C ATOM 338 O GLN A 24 17.140 23.320 -18.352 1.00 11.43 O ATOM 339 CB GLN A 24 19.290 23.579 -20.469 1.00 13.44 C ATOM 340 CG GLN A 24 20.109 24.303 -21.480 1.00 74.43 C ATOM 341 CD GLN A 24 20.451 25.726 -21.091 1.00 33.20 C ATOM 342 OE1 GLN A 24 19.727 26.659 -21.417 1.00 31.34 O ATOM 343 NE2 GLN A 24 21.531 25.905 -20.387 1.00 70.13 N ATOM 0 H GLN A 24 18.225 25.707 -19.470 1.00 34.12 H new ATOM 0 HA GLN A 24 17.545 23.819 -21.529 1.00 63.51 H new ATOM 0 HB2 GLN A 24 19.695 23.780 -19.477 1.00 13.44 H new ATOM 0 HB3 GLN A 24 19.384 22.507 -20.641 1.00 13.44 H new ATOM 0 HG2 GLN A 24 21.034 23.751 -21.647 1.00 74.43 H new ATOM 0 HG3 GLN A 24 19.570 24.316 -22.427 1.00 74.43 H new ATOM 0 HE21 GLN A 24 22.112 25.106 -20.132 1.00 70.13 H new ATOM 0 HE22 GLN A 24 21.796 26.844 -20.090 1.00 70.13 H new ATOM 352 N ARG A 25 16.409 22.156 -20.067 1.00 2.31 N ATOM 353 CA ARG A 25 15.720 21.208 -19.242 1.00 44.41 C ATOM 354 C ARG A 25 16.011 19.873 -19.775 1.00 21.43 C ATOM 355 O ARG A 25 16.688 19.791 -20.777 1.00 50.14 O ATOM 356 CB ARG A 25 14.267 21.449 -19.275 1.00 4.52 C ATOM 357 CG ARG A 25 13.839 22.778 -18.663 1.00 4.11 C ATOM 358 CD ARG A 25 14.314 22.920 -17.247 1.00 33.14 C ATOM 359 NE ARG A 25 13.733 24.071 -16.549 1.00 55.43 N ATOM 360 CZ ARG A 25 13.518 24.117 -15.232 1.00 14.11 C ATOM 361 NH1 ARG A 25 13.920 23.111 -14.448 1.00 1.32 N ATOM 362 NH2 ARG A 25 12.961 25.188 -14.707 1.00 11.30 N ATOM 0 H ARG A 25 16.313 21.990 -21.069 1.00 2.31 H new ATOM 0 HA ARG A 25 16.050 21.300 -18.207 1.00 44.41 H new ATOM 0 HB2 ARG A 25 13.928 21.413 -20.310 1.00 4.52 H new ATOM 0 HB3 ARG A 25 13.764 20.640 -18.746 1.00 4.52 H new ATOM 0 HG2 ARG A 25 14.234 23.598 -19.263 1.00 4.11 H new ATOM 0 HG3 ARG A 25 12.752 22.858 -18.691 1.00 4.11 H new ATOM 0 HD2 ARG A 25 14.071 22.011 -16.697 1.00 33.14 H new ATOM 0 HD3 ARG A 25 15.400 23.013 -17.244 1.00 33.14 H new ATOM 0 HE ARG A 25 13.477 24.888 -17.104 1.00 55.43 H new ATOM 0 HH11 ARG A 25 14.393 22.304 -14.856 1.00 1.32 H new ATOM 0 HH12 ARG A 25 13.754 23.150 -13.442 1.00 1.32 H new ATOM 0 HH21 ARG A 25 12.698 25.971 -15.305 1.00 11.30 H new ATOM 0 HH22 ARG A 25 12.792 25.234 -13.702 1.00 11.30 H new ATOM 376 N ILE A 26 15.494 18.826 -19.178 1.00 42.00 N ATOM 377 CA ILE A 26 15.946 17.526 -19.579 1.00 33.31 C ATOM 378 C ILE A 26 14.753 16.537 -19.617 1.00 71.40 C ATOM 379 O ILE A 26 13.953 16.527 -18.707 1.00 14.11 O ATOM 380 CB ILE A 26 16.998 16.975 -18.526 1.00 43.13 C ATOM 381 CG1 ILE A 26 18.124 17.958 -18.232 1.00 31.12 C ATOM 382 CG2 ILE A 26 17.649 15.738 -19.033 1.00 15.41 C ATOM 383 CD1 ILE A 26 17.905 18.751 -16.971 1.00 4.41 C ATOM 0 H ILE A 26 14.788 18.848 -18.442 1.00 42.00 H new ATOM 0 HA ILE A 26 16.400 17.610 -20.566 1.00 33.31 H new ATOM 0 HB ILE A 26 16.423 16.795 -17.618 1.00 43.13 H new ATOM 0 HG12 ILE A 26 19.063 17.411 -18.151 1.00 31.12 H new ATOM 0 HG13 ILE A 26 18.227 18.645 -19.072 1.00 31.12 H new ATOM 0 HG21 ILE A 26 18.367 15.376 -18.296 1.00 15.41 H new ATOM 0 HG22 ILE A 26 16.892 14.974 -19.208 1.00 15.41 H new ATOM 0 HG23 ILE A 26 18.167 15.956 -19.967 1.00 15.41 H new ATOM 0 HD11 ILE A 26 18.742 19.432 -16.819 1.00 4.41 H new ATOM 0 HD12 ILE A 26 16.982 19.324 -17.057 1.00 4.41 H new ATOM 0 HD13 ILE A 26 17.832 18.071 -16.122 1.00 4.41 H new ATOM 395 N TYR A 27 14.613 15.771 -20.679 1.00 62.11 N ATOM 396 CA TYR A 27 13.428 14.933 -20.899 1.00 21.32 C ATOM 397 C TYR A 27 13.969 13.610 -21.484 1.00 51.24 C ATOM 398 O TYR A 27 15.069 13.577 -22.032 1.00 53.32 O ATOM 399 CB TYR A 27 12.465 15.617 -21.936 1.00 31.03 C ATOM 400 CG TYR A 27 12.973 15.673 -23.365 1.00 74.33 C ATOM 401 CD1 TYR A 27 13.799 16.686 -23.817 1.00 11.13 C ATOM 402 CD2 TYR A 27 12.601 14.680 -24.265 1.00 65.10 C ATOM 403 CE1 TYR A 27 14.239 16.688 -25.135 1.00 72.24 C ATOM 404 CE2 TYR A 27 13.035 14.683 -25.560 1.00 24.31 C ATOM 405 CZ TYR A 27 13.855 15.681 -25.993 1.00 24.45 C ATOM 406 OH TYR A 27 14.287 15.688 -27.306 1.00 2.15 O ATOM 0 H TYR A 27 15.311 15.704 -21.420 1.00 62.11 H new ATOM 0 HA TYR A 27 12.864 14.778 -19.979 1.00 21.32 H new ATOM 0 HB2 TYR A 27 11.514 15.084 -21.928 1.00 31.03 H new ATOM 0 HB3 TYR A 27 12.263 16.634 -21.601 1.00 31.03 H new ATOM 0 HD1 TYR A 27 14.102 17.476 -23.145 1.00 11.13 H new ATOM 0 HD2 TYR A 27 11.951 13.885 -23.931 1.00 65.10 H new ATOM 0 HE1 TYR A 27 14.883 17.480 -25.487 1.00 72.24 H new ATOM 0 HE2 TYR A 27 12.730 13.899 -26.237 1.00 24.31 H new ATOM 0 HH TYR A 27 13.926 14.906 -27.773 1.00 2.15 H new ATOM 416 N TYR A 28 13.218 12.538 -21.374 1.00 33.01 N ATOM 417 CA TYR A 28 13.645 11.234 -21.858 1.00 53.44 C ATOM 418 C TYR A 28 13.269 11.085 -23.341 1.00 62.04 C ATOM 419 O TYR A 28 12.183 11.457 -23.769 1.00 10.11 O ATOM 420 CB TYR A 28 13.023 10.114 -20.971 1.00 75.10 C ATOM 421 CG TYR A 28 13.224 8.645 -21.375 1.00 33.44 C ATOM 422 CD1 TYR A 28 14.268 7.919 -20.900 1.00 61.21 C ATOM 423 CD2 TYR A 28 12.288 7.979 -22.155 1.00 23.10 C ATOM 424 CE1 TYR A 28 14.392 6.570 -21.175 1.00 63.21 C ATOM 425 CE2 TYR A 28 12.414 6.638 -22.451 1.00 44.44 C ATOM 426 CZ TYR A 28 13.471 5.943 -21.945 1.00 72.35 C ATOM 427 OH TYR A 28 13.598 4.600 -22.187 1.00 64.23 O ATOM 0 H TYR A 28 12.292 12.540 -20.947 1.00 33.01 H new ATOM 0 HA TYR A 28 14.729 11.141 -21.785 1.00 53.44 H new ATOM 0 HB2 TYR A 28 13.419 10.235 -19.963 1.00 75.10 H new ATOM 0 HB3 TYR A 28 11.950 10.296 -20.916 1.00 75.10 H new ATOM 0 HD1 TYR A 28 15.018 8.406 -20.294 1.00 61.21 H new ATOM 0 HD2 TYR A 28 11.439 8.525 -22.540 1.00 23.10 H new ATOM 0 HE1 TYR A 28 15.227 6.014 -20.774 1.00 63.21 H new ATOM 0 HE2 TYR A 28 11.684 6.145 -23.076 1.00 44.44 H new ATOM 0 HH TYR A 28 12.748 4.151 -21.996 1.00 64.23 H new ATOM 437 N ASN A 29 14.209 10.613 -24.106 1.00 44.43 N ATOM 438 CA ASN A 29 13.936 10.341 -25.503 1.00 25.02 C ATOM 439 C ASN A 29 13.076 9.142 -25.619 1.00 13.14 C ATOM 440 O ASN A 29 13.303 8.127 -25.022 1.00 53.13 O ATOM 441 CB ASN A 29 15.176 10.105 -26.338 1.00 74.33 C ATOM 442 CG ASN A 29 16.065 11.271 -26.535 1.00 31.54 C ATOM 443 OD1 ASN A 29 17.264 11.109 -26.607 1.00 21.41 O ATOM 444 ND2 ASN A 29 15.494 12.417 -26.761 1.00 74.20 N ATOM 0 H ASN A 29 15.160 10.408 -23.801 1.00 44.43 H new ATOM 0 HA ASN A 29 13.446 11.236 -25.887 1.00 25.02 H new ATOM 0 HB2 ASN A 29 15.755 9.308 -25.872 1.00 74.33 H new ATOM 0 HB3 ASN A 29 14.865 9.743 -27.318 1.00 74.33 H new ATOM 0 HD21 ASN A 29 16.060 13.228 -27.011 1.00 74.20 H new ATOM 0 HD22 ASN A 29 14.480 12.505 -26.688 1.00 74.20 H new ATOM 451 N SER A 30 12.159 9.283 -26.545 1.00 74.21 N ATOM 452 CA SER A 30 11.046 8.404 -26.766 1.00 62.23 C ATOM 453 C SER A 30 11.613 7.255 -27.637 1.00 43.54 C ATOM 454 O SER A 30 11.683 6.106 -27.226 1.00 55.23 O ATOM 455 CB SER A 30 10.011 9.185 -27.564 1.00 34.24 C ATOM 456 OG SER A 30 9.699 10.411 -26.915 1.00 72.14 O ATOM 0 H SER A 30 12.175 10.063 -27.202 1.00 74.21 H new ATOM 0 HA SER A 30 10.592 8.027 -25.850 1.00 62.23 H new ATOM 0 HB2 SER A 30 10.391 9.384 -28.566 1.00 34.24 H new ATOM 0 HB3 SER A 30 9.106 8.588 -27.679 1.00 34.24 H new ATOM 0 HG SER A 30 8.897 10.294 -26.363 1.00 72.14 H new ATOM 462 N ALA A 31 12.024 7.646 -28.854 1.00 61.04 N ATOM 463 CA ALA A 31 12.711 6.754 -29.797 1.00 14.42 C ATOM 464 C ALA A 31 14.011 6.192 -29.208 1.00 11.03 C ATOM 465 O ALA A 31 14.270 4.993 -29.185 1.00 61.24 O ATOM 466 CB ALA A 31 12.994 7.472 -31.101 1.00 23.23 C ATOM 0 H ALA A 31 11.888 8.592 -29.211 1.00 61.04 H new ATOM 0 HA ALA A 31 12.045 5.913 -29.992 1.00 14.42 H new ATOM 0 HB1 ALA A 31 13.503 6.794 -31.786 1.00 23.23 H new ATOM 0 HB2 ALA A 31 12.055 7.801 -31.547 1.00 23.23 H new ATOM 0 HB3 ALA A 31 13.627 8.338 -30.909 1.00 23.23 H new ATOM 472 N LYS A 32 14.827 7.145 -28.768 1.00 30.23 N ATOM 473 CA LYS A 32 16.256 6.925 -28.500 1.00 74.22 C ATOM 474 C LYS A 32 16.581 6.411 -27.115 1.00 52.44 C ATOM 475 O LYS A 32 17.644 5.856 -26.847 1.00 42.43 O ATOM 476 CB LYS A 32 17.000 8.237 -28.607 1.00 14.44 C ATOM 477 CG LYS A 32 16.796 9.000 -29.872 1.00 41.24 C ATOM 478 CD LYS A 32 17.726 10.188 -29.887 1.00 75.44 C ATOM 479 CE LYS A 32 17.501 11.086 -31.072 1.00 45.43 C ATOM 480 NZ LYS A 32 18.440 12.222 -31.064 1.00 1.51 N ATOM 0 H LYS A 32 14.519 8.100 -28.584 1.00 30.23 H new ATOM 0 HA LYS A 32 16.549 6.175 -29.234 1.00 74.22 H new ATOM 0 HB2 LYS A 32 16.702 8.870 -27.771 1.00 14.44 H new ATOM 0 HB3 LYS A 32 18.066 8.039 -28.493 1.00 14.44 H new ATOM 0 HG2 LYS A 32 16.990 8.360 -30.733 1.00 41.24 H new ATOM 0 HG3 LYS A 32 15.761 9.332 -29.948 1.00 41.24 H new ATOM 0 HD2 LYS A 32 17.590 10.762 -28.970 1.00 75.44 H new ATOM 0 HD3 LYS A 32 18.758 9.837 -29.893 1.00 75.44 H new ATOM 0 HE2 LYS A 32 17.624 10.516 -31.993 1.00 45.43 H new ATOM 0 HE3 LYS A 32 16.476 11.457 -31.061 1.00 45.43 H new ATOM 0 HZ1 LYS A 32 18.262 12.825 -31.892 1.00 1.51 H new ATOM 0 HZ2 LYS A 32 18.305 12.778 -30.196 1.00 1.51 H new ATOM 0 HZ3 LYS A 32 19.416 11.866 -31.098 1.00 1.51 H new ATOM 494 N LYS A 33 15.582 6.607 -26.262 1.00 55.43 N ATOM 495 CA LYS A 33 15.552 6.135 -24.904 1.00 54.10 C ATOM 496 C LYS A 33 16.755 6.628 -24.082 1.00 54.14 C ATOM 497 O LYS A 33 17.459 5.866 -23.441 1.00 75.33 O ATOM 498 CB LYS A 33 15.385 4.642 -24.933 1.00 11.14 C ATOM 499 CG LYS A 33 14.163 4.269 -25.771 1.00 31.11 C ATOM 500 CD LYS A 33 13.816 2.850 -25.622 1.00 23.42 C ATOM 501 CE LYS A 33 13.050 2.631 -24.359 1.00 43.30 C ATOM 502 NZ LYS A 33 12.744 1.211 -24.132 1.00 71.32 N ATOM 0 H LYS A 33 14.740 7.122 -26.520 1.00 55.43 H new ATOM 0 HA LYS A 33 14.699 6.560 -24.375 1.00 54.10 H new ATOM 0 HB2 LYS A 33 16.278 4.176 -25.350 1.00 11.14 H new ATOM 0 HB3 LYS A 33 15.270 4.261 -23.918 1.00 11.14 H new ATOM 0 HG2 LYS A 33 13.315 4.885 -25.472 1.00 31.11 H new ATOM 0 HG3 LYS A 33 14.361 4.487 -26.820 1.00 31.11 H new ATOM 0 HD2 LYS A 33 13.223 2.523 -26.476 1.00 23.42 H new ATOM 0 HD3 LYS A 33 14.723 2.246 -25.614 1.00 23.42 H new ATOM 0 HE2 LYS A 33 13.625 3.016 -23.517 1.00 43.30 H new ATOM 0 HE3 LYS A 33 12.121 3.199 -24.397 1.00 43.30 H new ATOM 0 HZ1 LYS A 33 12.212 1.108 -23.244 1.00 71.32 H new ATOM 0 HZ2 LYS A 33 12.173 0.848 -24.922 1.00 71.32 H new ATOM 0 HZ3 LYS A 33 13.630 0.671 -24.069 1.00 71.32 H new ATOM 516 N GLN A 34 16.964 7.925 -24.182 1.00 43.03 N ATOM 517 CA GLN A 34 18.056 8.645 -23.494 1.00 32.41 C ATOM 518 C GLN A 34 17.393 9.702 -22.616 1.00 63.35 C ATOM 519 O GLN A 34 16.192 9.740 -22.532 1.00 4.15 O ATOM 520 CB GLN A 34 18.959 9.361 -24.502 1.00 5.54 C ATOM 521 CG GLN A 34 19.535 8.492 -25.594 1.00 51.41 C ATOM 522 CD GLN A 34 20.511 9.256 -26.459 1.00 65.13 C ATOM 523 OE1 GLN A 34 21.707 9.251 -26.214 1.00 43.12 O ATOM 524 NE2 GLN A 34 20.006 9.987 -27.409 1.00 1.03 N ATOM 0 H GLN A 34 16.377 8.535 -24.751 1.00 43.03 H new ATOM 0 HA GLN A 34 18.664 7.944 -22.923 1.00 32.41 H new ATOM 0 HB2 GLN A 34 18.389 10.166 -24.966 1.00 5.54 H new ATOM 0 HB3 GLN A 34 19.782 9.825 -23.959 1.00 5.54 H new ATOM 0 HG2 GLN A 34 20.038 7.633 -25.149 1.00 51.41 H new ATOM 0 HG3 GLN A 34 18.727 8.102 -26.213 1.00 51.41 H new ATOM 0 HE21 GLN A 34 19.002 9.968 -27.588 1.00 1.03 H new ATOM 0 HE22 GLN A 34 20.614 10.579 -27.975 1.00 1.03 H new ATOM 533 N CYS A 35 18.167 10.605 -22.037 1.00 65.22 N ATOM 534 CA CYS A 35 17.534 11.669 -21.256 1.00 53.04 C ATOM 535 C CYS A 35 18.282 12.840 -21.719 1.00 74.31 C ATOM 536 O CYS A 35 19.431 13.035 -21.321 1.00 43.13 O ATOM 537 CB CYS A 35 17.666 11.532 -19.714 1.00 15.22 C ATOM 538 SG CYS A 35 16.684 12.799 -18.770 1.00 2.21 S ATOM 0 H CYS A 35 19.186 10.632 -22.084 1.00 65.22 H new ATOM 0 HA CYS A 35 16.454 11.685 -21.406 1.00 53.04 H new ATOM 0 HB2 CYS A 35 17.340 10.535 -19.416 1.00 15.22 H new ATOM 0 HB3 CYS A 35 18.717 11.619 -19.438 1.00 15.22 H new ATOM 543 N VAL A 36 17.726 13.586 -22.591 1.00 54.42 N ATOM 544 CA VAL A 36 18.426 14.647 -23.203 1.00 62.44 C ATOM 545 C VAL A 36 17.769 15.946 -22.841 1.00 21.32 C ATOM 546 O VAL A 36 16.693 15.976 -22.297 1.00 44.02 O ATOM 547 CB VAL A 36 18.417 14.498 -24.746 1.00 61.52 C ATOM 548 CG1 VAL A 36 18.937 13.151 -25.169 1.00 2.40 C ATOM 549 CG2 VAL A 36 17.034 14.692 -25.300 1.00 51.03 C ATOM 0 H VAL A 36 16.762 13.478 -22.905 1.00 54.42 H new ATOM 0 HA VAL A 36 19.458 14.627 -22.852 1.00 62.44 H new ATOM 0 HB VAL A 36 19.074 15.271 -25.145 1.00 61.52 H new ATOM 0 HG11 VAL A 36 18.918 13.079 -26.256 1.00 2.40 H new ATOM 0 HG12 VAL A 36 19.961 13.029 -24.815 1.00 2.40 H new ATOM 0 HG13 VAL A 36 18.310 12.368 -24.742 1.00 2.40 H new ATOM 0 HG21 VAL A 36 17.058 14.582 -26.384 1.00 51.03 H new ATOM 0 HG22 VAL A 36 16.363 13.946 -24.874 1.00 51.03 H new ATOM 0 HG23 VAL A 36 16.676 15.689 -25.044 1.00 51.03 H new ATOM 559 N THR A 37 18.432 16.993 -23.143 1.00 21.12 N ATOM 560 CA THR A 37 17.942 18.293 -22.879 1.00 31.31 C ATOM 561 C THR A 37 17.022 18.845 -23.968 1.00 44.33 C ATOM 562 O THR A 37 17.062 18.403 -25.127 1.00 11.14 O ATOM 563 CB THR A 37 19.126 19.252 -22.619 1.00 53.21 C ATOM 564 OG1 THR A 37 20.073 19.157 -23.701 1.00 1.54 O ATOM 565 CG2 THR A 37 19.799 18.937 -21.303 1.00 53.30 C ATOM 0 H THR A 37 19.349 16.974 -23.590 1.00 21.12 H new ATOM 0 HA THR A 37 17.319 18.217 -21.988 1.00 31.31 H new ATOM 0 HB THR A 37 18.743 20.271 -22.564 1.00 53.21 H new ATOM 0 HG1 THR A 37 20.822 19.767 -23.535 1.00 1.54 H new ATOM 0 HG21 THR A 37 20.628 19.626 -21.144 1.00 53.30 H new ATOM 0 HG22 THR A 37 19.079 19.043 -20.492 1.00 53.30 H new ATOM 0 HG23 THR A 37 20.176 17.914 -21.323 1.00 53.30 H new ATOM 573 N PHE A 38 16.198 19.809 -23.570 1.00 73.12 N ATOM 574 CA PHE A 38 15.309 20.453 -24.463 1.00 64.11 C ATOM 575 C PHE A 38 15.193 21.867 -24.056 1.00 74.33 C ATOM 576 O PHE A 38 15.558 22.248 -22.921 1.00 53.41 O ATOM 577 CB PHE A 38 13.911 19.889 -24.486 1.00 32.51 C ATOM 578 CG PHE A 38 13.014 20.056 -23.306 1.00 32.33 C ATOM 579 CD1 PHE A 38 13.110 19.314 -22.154 1.00 21.34 C ATOM 580 CD2 PHE A 38 12.000 20.974 -23.426 1.00 21.31 C ATOM 581 CE1 PHE A 38 12.196 19.500 -21.141 1.00 33.23 C ATOM 582 CE2 PHE A 38 11.101 21.185 -22.448 1.00 71.42 C ATOM 583 CZ PHE A 38 11.187 20.444 -21.287 1.00 70.10 C ATOM 0 H PHE A 38 16.146 20.150 -22.610 1.00 73.12 H new ATOM 0 HA PHE A 38 15.730 20.309 -25.458 1.00 64.11 H new ATOM 0 HB2 PHE A 38 13.400 20.326 -25.344 1.00 32.51 H new ATOM 0 HB3 PHE A 38 13.997 18.819 -24.677 1.00 32.51 H new ATOM 0 HD1 PHE A 38 13.900 18.586 -22.043 1.00 21.34 H new ATOM 0 HD2 PHE A 38 11.921 21.547 -24.338 1.00 21.31 H new ATOM 0 HE1 PHE A 38 12.263 18.914 -20.236 1.00 33.23 H new ATOM 0 HE2 PHE A 38 10.323 21.924 -22.570 1.00 71.42 H new ATOM 0 HZ PHE A 38 10.471 20.598 -20.493 1.00 70.10 H new ATOM 593 N THR A 39 14.718 22.632 -24.955 1.00 55.04 N ATOM 594 CA THR A 39 14.475 24.016 -24.776 1.00 71.32 C ATOM 595 C THR A 39 13.140 24.180 -24.050 1.00 45.52 C ATOM 596 O THR A 39 12.087 23.869 -24.594 1.00 12.15 O ATOM 597 CB THR A 39 14.365 24.661 -26.151 1.00 74.42 C ATOM 598 OG1 THR A 39 15.582 24.390 -26.877 1.00 33.12 O ATOM 599 CG2 THR A 39 14.152 26.170 -26.054 1.00 13.14 C ATOM 0 H THR A 39 14.473 22.299 -25.887 1.00 55.04 H new ATOM 0 HA THR A 39 15.277 24.479 -24.201 1.00 71.32 H new ATOM 0 HB THR A 39 13.501 24.242 -26.667 1.00 74.42 H new ATOM 0 HG1 THR A 39 15.529 24.797 -27.767 1.00 33.12 H new ATOM 0 HG21 THR A 39 14.079 26.592 -27.056 1.00 13.14 H new ATOM 0 HG22 THR A 39 13.232 26.373 -25.506 1.00 13.14 H new ATOM 0 HG23 THR A 39 14.993 26.623 -25.530 1.00 13.14 H new ATOM 607 N TYR A 40 13.193 24.651 -22.855 1.00 0.25 N ATOM 608 CA TYR A 40 11.968 24.822 -22.130 1.00 73.53 C ATOM 609 C TYR A 40 11.715 26.258 -21.911 1.00 73.31 C ATOM 610 O TYR A 40 12.520 26.941 -21.291 1.00 62.42 O ATOM 611 CB TYR A 40 12.019 24.044 -20.817 1.00 44.42 C ATOM 612 CG TYR A 40 10.817 24.100 -19.838 1.00 4.33 C ATOM 613 CD1 TYR A 40 10.674 25.158 -18.955 1.00 74.41 C ATOM 614 CD2 TYR A 40 9.874 23.053 -19.748 1.00 73.40 C ATOM 615 CE1 TYR A 40 9.650 25.193 -18.030 1.00 53.42 C ATOM 616 CE2 TYR A 40 8.842 23.097 -18.827 1.00 12.42 C ATOM 617 CZ TYR A 40 8.736 24.168 -17.972 1.00 24.44 C ATOM 618 OH TYR A 40 7.720 24.208 -17.040 1.00 53.44 O ATOM 0 H TYR A 40 14.044 24.921 -22.361 1.00 0.25 H new ATOM 0 HA TYR A 40 11.138 24.422 -22.712 1.00 73.53 H new ATOM 0 HB2 TYR A 40 12.186 22.996 -21.067 1.00 44.42 H new ATOM 0 HB3 TYR A 40 12.899 24.386 -20.271 1.00 44.42 H new ATOM 0 HD1 TYR A 40 11.380 25.974 -18.991 1.00 74.41 H new ATOM 0 HD2 TYR A 40 9.960 22.203 -20.409 1.00 73.40 H new ATOM 0 HE1 TYR A 40 9.567 26.028 -17.350 1.00 53.42 H new ATOM 0 HE2 TYR A 40 8.123 22.293 -18.780 1.00 12.42 H new ATOM 0 HH TYR A 40 7.160 23.409 -17.132 1.00 53.44 H new ATOM 628 N ASN A 41 10.679 26.745 -22.516 1.00 62.31 N ATOM 629 CA ASN A 41 10.381 28.135 -22.429 1.00 42.22 C ATOM 630 C ASN A 41 9.422 28.392 -21.323 1.00 20.20 C ATOM 631 O ASN A 41 9.447 29.464 -20.728 1.00 55.51 O ATOM 632 CB ASN A 41 9.913 28.706 -23.750 1.00 51.52 C ATOM 633 CG ASN A 41 10.971 28.696 -24.844 1.00 2.32 C ATOM 634 OD1 ASN A 41 12.213 28.882 -24.476 1.00 10.21 O flip ATOM 635 ND2 ASN A 41 10.656 28.555 -26.019 1.00 21.41 N flip ATOM 0 H ASN A 41 10.025 26.198 -23.076 1.00 62.31 H new ATOM 0 HA ASN A 41 11.305 28.663 -22.194 1.00 42.22 H new ATOM 0 HB2 ASN A 41 9.047 28.139 -24.092 1.00 51.52 H new ATOM 0 HB3 ASN A 41 9.580 29.732 -23.592 1.00 51.52 H new ATOM 0 HD21 ASN A 41 9.678 28.412 -26.271 1.00 21.41 H new ATOM 0 HD22 ASN A 41 11.372 28.581 -26.745 1.00 21.41 H new ATOM 642 N GLY A 42 8.533 27.438 -21.058 1.00 14.31 N ATOM 643 CA GLY A 42 7.822 27.549 -19.829 1.00 53.03 C ATOM 644 C GLY A 42 6.353 27.907 -19.843 1.00 65.04 C ATOM 645 O GLY A 42 5.859 28.310 -18.789 1.00 2.11 O ATOM 0 H GLY A 42 8.310 26.636 -21.647 1.00 14.31 H new ATOM 0 HA2 GLY A 42 7.920 26.596 -19.309 1.00 53.03 H new ATOM 0 HA3 GLY A 42 8.334 28.297 -19.223 1.00 53.03 H new ATOM 649 N LYS A 43 5.592 27.823 -20.932 1.00 11.14 N ATOM 650 CA LYS A 43 4.214 28.271 -20.905 1.00 5.21 C ATOM 651 C LYS A 43 3.272 27.199 -21.517 1.00 62.54 C ATOM 652 O LYS A 43 3.248 26.032 -21.130 1.00 34.51 O ATOM 653 CB LYS A 43 4.095 29.546 -21.815 1.00 65.14 C ATOM 654 CG LYS A 43 5.042 30.674 -21.561 1.00 1.13 C ATOM 655 CD LYS A 43 4.525 31.965 -22.173 1.00 24.14 C ATOM 656 CE LYS A 43 3.254 32.458 -21.490 1.00 73.44 C ATOM 657 NZ LYS A 43 2.811 33.753 -22.034 1.00 41.31 N ATOM 0 H LYS A 43 5.906 27.453 -21.829 1.00 11.14 H new ATOM 0 HA LYS A 43 3.934 28.467 -19.870 1.00 5.21 H new ATOM 0 HB2 LYS A 43 4.220 29.231 -22.851 1.00 65.14 H new ATOM 0 HB3 LYS A 43 3.080 29.932 -21.719 1.00 65.14 H new ATOM 0 HG2 LYS A 43 5.178 30.805 -20.487 1.00 1.13 H new ATOM 0 HG3 LYS A 43 6.020 30.435 -21.979 1.00 1.13 H new ATOM 0 HD2 LYS A 43 5.295 32.733 -22.101 1.00 24.14 H new ATOM 0 HD3 LYS A 43 4.328 31.809 -23.234 1.00 24.14 H new ATOM 0 HE2 LYS A 43 2.462 31.720 -21.618 1.00 73.44 H new ATOM 0 HE3 LYS A 43 3.430 32.554 -20.419 1.00 73.44 H new ATOM 0 HZ1 LYS A 43 1.944 34.057 -21.546 1.00 41.31 H new ATOM 0 HZ2 LYS A 43 3.557 34.463 -21.890 1.00 41.31 H new ATOM 0 HZ3 LYS A 43 2.619 33.655 -23.051 1.00 41.31 H new ATOM 671 N GLY A 44 2.507 27.748 -22.428 1.00 31.03 N ATOM 672 CA GLY A 44 1.655 26.946 -23.277 1.00 71.15 C ATOM 673 C GLY A 44 2.202 25.664 -23.847 1.00 14.03 C ATOM 674 O GLY A 44 3.353 25.580 -24.296 1.00 32.00 O ATOM 0 H GLY A 44 2.456 28.752 -22.603 1.00 31.03 H new ATOM 0 HA2 GLY A 44 0.759 26.699 -22.707 1.00 71.15 H new ATOM 0 HA3 GLY A 44 1.339 27.571 -24.112 1.00 71.15 H new ATOM 678 N GLY A 45 1.295 24.730 -23.910 1.00 40.52 N ATOM 679 CA GLY A 45 1.592 23.482 -24.529 1.00 33.31 C ATOM 680 C GLY A 45 2.246 22.502 -23.584 1.00 5.13 C ATOM 681 O GLY A 45 2.216 22.675 -22.356 1.00 35.02 O ATOM 0 H GLY A 45 0.348 24.814 -23.540 1.00 40.52 H new ATOM 0 HA2 GLY A 45 0.672 23.046 -24.918 1.00 33.31 H new ATOM 0 HA3 GLY A 45 2.249 23.652 -25.382 1.00 33.31 H new ATOM 685 N ASN A 46 2.757 21.420 -24.176 1.00 72.53 N ATOM 686 CA ASN A 46 3.395 20.422 -23.291 1.00 20.31 C ATOM 687 C ASN A 46 4.647 20.851 -22.560 1.00 44.22 C ATOM 688 O ASN A 46 5.549 21.475 -23.060 1.00 43.35 O ATOM 689 CB ASN A 46 3.658 19.077 -24.003 1.00 22.15 C ATOM 690 CG ASN A 46 2.400 18.412 -24.518 1.00 63.43 C ATOM 691 OD1 ASN A 46 1.738 17.670 -23.799 1.00 63.51 O ATOM 692 ND2 ASN A 46 2.103 18.614 -25.774 1.00 62.01 N ATOM 0 H ASN A 46 2.751 21.213 -25.175 1.00 72.53 H new ATOM 0 HA ASN A 46 2.635 20.304 -22.519 1.00 20.31 H new ATOM 0 HB2 ASN A 46 4.339 19.244 -24.837 1.00 22.15 H new ATOM 0 HB3 ASN A 46 4.160 18.401 -23.311 1.00 22.15 H new ATOM 0 HD21 ASN A 46 1.296 18.147 -26.189 1.00 62.01 H new ATOM 0 HD22 ASN A 46 2.678 19.238 -26.340 1.00 62.01 H new ATOM 699 N GLY A 47 4.626 20.369 -21.343 1.00 23.32 N ATOM 700 CA GLY A 47 5.681 20.683 -20.418 1.00 64.45 C ATOM 701 C GLY A 47 6.273 19.486 -19.778 1.00 72.02 C ATOM 702 O GLY A 47 6.548 19.489 -18.572 1.00 1.13 O ATOM 0 H GLY A 47 3.895 19.762 -20.973 1.00 23.32 H new ATOM 0 HA2 GLY A 47 6.464 21.231 -20.943 1.00 64.45 H new ATOM 0 HA3 GLY A 47 5.292 21.345 -19.645 1.00 64.45 H new ATOM 706 N ASN A 48 6.436 18.447 -20.549 1.00 2.33 N ATOM 707 CA ASN A 48 7.104 17.272 -20.046 1.00 31.21 C ATOM 708 C ASN A 48 8.572 17.572 -19.926 1.00 11.24 C ATOM 709 O ASN A 48 9.273 17.709 -20.925 1.00 73.34 O ATOM 710 CB ASN A 48 6.854 16.058 -20.925 1.00 52.24 C ATOM 711 CG ASN A 48 7.458 14.798 -20.336 1.00 53.24 C ATOM 712 OD1 ASN A 48 6.844 14.155 -19.487 1.00 22.40 O ATOM 713 ND2 ASN A 48 8.609 14.400 -20.811 1.00 33.53 N ATOM 0 H ASN A 48 6.121 18.386 -21.517 1.00 2.33 H new ATOM 0 HA ASN A 48 6.700 17.023 -19.065 1.00 31.21 H new ATOM 0 HB2 ASN A 48 5.781 15.919 -21.055 1.00 52.24 H new ATOM 0 HB3 ASN A 48 7.275 16.234 -21.915 1.00 52.24 H new ATOM 0 HD21 ASN A 48 9.025 13.531 -20.478 1.00 33.53 H new ATOM 0 HD22 ASN A 48 9.091 14.959 -21.515 1.00 33.53 H new ATOM 720 N ASN A 49 9.021 17.678 -18.714 1.00 51.52 N ATOM 721 CA ASN A 49 10.325 18.108 -18.333 1.00 40.34 C ATOM 722 C ASN A 49 10.716 17.380 -17.084 1.00 54.32 C ATOM 723 O ASN A 49 9.897 17.261 -16.169 1.00 44.33 O ATOM 724 CB ASN A 49 10.250 19.603 -18.000 1.00 63.14 C ATOM 725 CG ASN A 49 11.526 20.163 -17.405 1.00 12.22 C ATOM 726 OD1 ASN A 49 12.617 19.685 -17.659 1.00 4.24 O ATOM 727 ND2 ASN A 49 11.384 21.189 -16.595 1.00 32.11 N ATOM 0 H ASN A 49 8.440 17.448 -17.908 1.00 51.52 H new ATOM 0 HA ASN A 49 11.042 17.917 -19.132 1.00 40.34 H new ATOM 0 HB2 ASN A 49 10.011 20.156 -18.908 1.00 63.14 H new ATOM 0 HB3 ASN A 49 9.431 19.769 -17.300 1.00 63.14 H new ATOM 0 HD21 ASN A 49 12.203 21.610 -16.157 1.00 32.11 H new ATOM 0 HD22 ASN A 49 10.455 21.564 -16.405 1.00 32.11 H new ATOM 734 N PHE A 50 11.904 16.858 -17.038 1.00 2.15 N ATOM 735 CA PHE A 50 12.415 16.323 -15.813 1.00 21.22 C ATOM 736 C PHE A 50 13.421 17.318 -15.279 1.00 71.31 C ATOM 737 O PHE A 50 14.536 17.472 -15.779 1.00 32.54 O ATOM 738 CB PHE A 50 12.950 14.879 -15.962 1.00 30.24 C ATOM 739 CG PHE A 50 11.894 13.980 -16.540 1.00 61.32 C ATOM 740 CD1 PHE A 50 10.807 13.595 -15.773 1.00 60.40 C ATOM 741 CD2 PHE A 50 11.967 13.554 -17.855 1.00 34.00 C ATOM 742 CE1 PHE A 50 9.814 12.806 -16.305 1.00 21.12 C ATOM 743 CE2 PHE A 50 10.980 12.758 -18.392 1.00 53.34 C ATOM 744 CZ PHE A 50 9.900 12.386 -17.615 1.00 72.13 C ATOM 0 H PHE A 50 12.538 16.791 -17.834 1.00 2.15 H new ATOM 0 HA PHE A 50 11.616 16.203 -15.081 1.00 21.22 H new ATOM 0 HB2 PHE A 50 13.830 14.876 -16.606 1.00 30.24 H new ATOM 0 HB3 PHE A 50 13.265 14.500 -14.990 1.00 30.24 H new ATOM 0 HD1 PHE A 50 10.738 13.918 -14.745 1.00 60.40 H new ATOM 0 HD2 PHE A 50 12.807 13.849 -18.466 1.00 34.00 H new ATOM 0 HE1 PHE A 50 8.969 12.516 -15.698 1.00 21.12 H new ATOM 0 HE2 PHE A 50 11.050 12.426 -19.417 1.00 53.34 H new ATOM 0 HZ PHE A 50 9.122 11.765 -18.035 1.00 72.13 H new ATOM 754 N SER A 51 12.963 18.005 -14.275 1.00 52.04 N ATOM 755 CA SER A 51 13.610 19.208 -13.819 1.00 43.02 C ATOM 756 C SER A 51 14.777 18.873 -12.898 1.00 53.05 C ATOM 757 O SER A 51 15.535 19.772 -12.508 1.00 21.55 O ATOM 758 CB SER A 51 12.562 20.065 -13.119 1.00 33.52 C ATOM 759 OG SER A 51 11.905 19.313 -12.105 1.00 13.43 O ATOM 0 H SER A 51 12.129 17.750 -13.746 1.00 52.04 H new ATOM 0 HA SER A 51 14.028 19.763 -14.659 1.00 43.02 H new ATOM 0 HB2 SER A 51 13.035 20.944 -12.681 1.00 33.52 H new ATOM 0 HB3 SER A 51 11.833 20.424 -13.845 1.00 33.52 H new ATOM 0 HG SER A 51 11.236 19.876 -11.662 1.00 13.43 H new ATOM 765 N ARG A 52 14.941 17.633 -12.546 1.00 64.02 N ATOM 766 CA ARG A 52 16.112 17.259 -11.812 1.00 62.01 C ATOM 767 C ARG A 52 16.819 16.094 -12.462 1.00 21.31 C ATOM 768 O ARG A 52 16.156 15.126 -12.845 1.00 61.24 O ATOM 769 CB ARG A 52 15.831 17.014 -10.336 1.00 64.10 C ATOM 770 CG ARG A 52 15.390 18.271 -9.591 1.00 21.53 C ATOM 771 CD ARG A 52 15.111 18.031 -8.117 1.00 62.23 C ATOM 772 NE ARG A 52 13.972 17.138 -7.888 1.00 21.13 N ATOM 773 CZ ARG A 52 12.783 17.524 -7.376 1.00 65.32 C ATOM 774 NH1 ARG A 52 12.495 18.821 -7.248 1.00 33.31 N ATOM 775 NH2 ARG A 52 11.870 16.619 -7.032 1.00 21.14 N ATOM 0 H ARG A 52 14.291 16.874 -12.751 1.00 64.02 H new ATOM 0 HA ARG A 52 16.790 18.112 -11.845 1.00 62.01 H new ATOM 0 HB2 ARG A 52 15.056 16.253 -10.242 1.00 64.10 H new ATOM 0 HB3 ARG A 52 16.729 16.615 -9.863 1.00 64.10 H new ATOM 0 HG2 ARG A 52 16.164 19.032 -9.688 1.00 21.53 H new ATOM 0 HG3 ARG A 52 14.492 18.668 -10.063 1.00 21.53 H new ATOM 0 HD2 ARG A 52 15.999 17.606 -7.649 1.00 62.23 H new ATOM 0 HD3 ARG A 52 14.920 18.987 -7.629 1.00 62.23 H new ATOM 0 HE ARG A 52 14.085 16.154 -8.133 1.00 21.13 H new ATOM 0 HH11 ARG A 52 13.174 19.525 -7.537 1.00 33.31 H new ATOM 0 HH12 ARG A 52 11.596 19.108 -6.861 1.00 33.31 H new ATOM 0 HH21 ARG A 52 12.065 15.625 -7.154 1.00 21.14 H new ATOM 0 HH22 ARG A 52 10.975 16.919 -6.646 1.00 21.14 H new ATOM 789 N THR A 53 18.117 16.196 -12.645 1.00 61.35 N ATOM 790 CA THR A 53 18.902 15.182 -13.344 1.00 44.22 C ATOM 791 C THR A 53 18.639 13.751 -12.801 1.00 74.24 C ATOM 792 O THR A 53 18.210 12.848 -13.566 1.00 2.52 O ATOM 793 CB THR A 53 20.402 15.549 -13.302 1.00 53.53 C ATOM 794 OG1 THR A 53 20.576 16.859 -13.906 1.00 72.02 O ATOM 795 CG2 THR A 53 21.239 14.527 -14.062 1.00 11.31 C ATOM 0 H THR A 53 18.669 16.987 -12.314 1.00 61.35 H new ATOM 0 HA THR A 53 18.580 15.169 -14.385 1.00 44.22 H new ATOM 0 HB THR A 53 20.735 15.556 -12.264 1.00 53.53 H new ATOM 0 HG1 THR A 53 21.524 17.106 -13.885 1.00 72.02 H new ATOM 0 HG21 THR A 53 22.290 14.811 -14.016 1.00 11.31 H new ATOM 0 HG22 THR A 53 21.109 13.543 -13.612 1.00 11.31 H new ATOM 0 HG23 THR A 53 20.917 14.495 -15.103 1.00 11.31 H new ATOM 803 N ASN A 54 18.787 13.568 -11.479 1.00 41.31 N ATOM 804 CA ASN A 54 18.519 12.259 -10.842 1.00 11.44 C ATOM 805 C ASN A 54 17.065 11.909 -10.919 1.00 52.54 C ATOM 806 O ASN A 54 16.689 10.749 -10.796 1.00 41.14 O ATOM 807 CB ASN A 54 18.950 12.198 -9.375 1.00 33.21 C ATOM 808 CG ASN A 54 20.430 12.297 -9.154 1.00 53.15 C ATOM 809 OD1 ASN A 54 21.236 11.850 -9.979 1.00 44.12 O ATOM 810 ND2 ASN A 54 20.801 12.844 -8.035 1.00 35.51 N ATOM 0 H ASN A 54 19.087 14.298 -10.833 1.00 41.31 H new ATOM 0 HA ASN A 54 19.117 11.541 -11.403 1.00 11.44 H new ATOM 0 HB2 ASN A 54 18.460 13.006 -8.832 1.00 33.21 H new ATOM 0 HB3 ASN A 54 18.593 11.263 -8.944 1.00 33.21 H new ATOM 0 HD21 ASN A 54 21.793 12.918 -7.808 1.00 35.51 H new ATOM 0 HD22 ASN A 54 20.101 13.199 -7.384 1.00 35.51 H new ATOM 817 N ASP A 55 16.249 12.888 -11.185 1.00 13.12 N ATOM 818 CA ASP A 55 14.853 12.648 -11.250 1.00 2.21 C ATOM 819 C ASP A 55 14.396 12.161 -12.569 1.00 1.21 C ATOM 820 O ASP A 55 13.395 11.433 -12.637 1.00 53.44 O ATOM 821 CB ASP A 55 13.979 13.739 -10.642 1.00 1.02 C ATOM 822 CG ASP A 55 14.158 13.801 -9.142 1.00 30.32 C ATOM 823 OD1 ASP A 55 13.640 12.910 -8.444 1.00 64.13 O ATOM 824 OD2 ASP A 55 14.820 14.704 -8.618 1.00 44.13 O ATOM 0 H ASP A 55 16.533 13.852 -11.358 1.00 13.12 H new ATOM 0 HA ASP A 55 14.699 11.808 -10.573 1.00 2.21 H new ATOM 0 HB2 ASP A 55 14.234 14.703 -11.083 1.00 1.02 H new ATOM 0 HB3 ASP A 55 12.933 13.547 -10.880 1.00 1.02 H new ATOM 829 N CYS A 56 15.091 12.522 -13.659 1.00 22.51 N ATOM 830 CA CYS A 56 14.778 11.826 -14.856 1.00 40.34 C ATOM 831 C CYS A 56 15.283 10.455 -14.739 1.00 44.01 C ATOM 832 O CYS A 56 14.706 9.601 -15.221 1.00 44.53 O ATOM 833 CB CYS A 56 15.211 12.420 -16.206 1.00 14.54 C ATOM 834 SG CYS A 56 16.945 12.600 -16.715 1.00 41.23 S ATOM 0 H CYS A 56 15.814 13.239 -13.714 1.00 22.51 H new ATOM 0 HA CYS A 56 13.692 11.901 -14.913 1.00 40.34 H new ATOM 0 HB2 CYS A 56 14.727 11.818 -16.975 1.00 14.54 H new ATOM 0 HB3 CYS A 56 14.772 13.416 -16.257 1.00 14.54 H new ATOM 839 N ARG A 57 16.389 10.272 -14.085 1.00 30.03 N ATOM 840 CA ARG A 57 16.898 8.913 -13.825 1.00 23.35 C ATOM 841 C ARG A 57 15.855 8.032 -13.144 1.00 54.53 C ATOM 842 O ARG A 57 15.675 6.883 -13.537 1.00 34.13 O ATOM 843 CB ARG A 57 18.169 8.947 -13.004 1.00 52.42 C ATOM 844 CG ARG A 57 19.207 9.800 -13.632 1.00 4.42 C ATOM 845 CD ARG A 57 20.600 9.446 -13.144 1.00 1.31 C ATOM 846 NE ARG A 57 21.651 10.028 -13.992 1.00 74.34 N ATOM 847 CZ ARG A 57 22.703 10.726 -13.544 1.00 52.14 C ATOM 848 NH1 ARG A 57 22.739 11.151 -12.285 1.00 34.15 N ATOM 849 NH2 ARG A 57 23.686 11.032 -14.369 1.00 43.24 N ATOM 0 H ARG A 57 16.970 11.024 -13.714 1.00 30.03 H new ATOM 0 HA ARG A 57 17.124 8.474 -14.797 1.00 23.35 H new ATOM 0 HB2 ARG A 57 17.946 9.321 -12.005 1.00 52.42 H new ATOM 0 HB3 ARG A 57 18.553 7.934 -12.887 1.00 52.42 H new ATOM 0 HG2 ARG A 57 19.162 9.688 -14.715 1.00 4.42 H new ATOM 0 HG3 ARG A 57 19.000 10.847 -13.411 1.00 4.42 H new ATOM 0 HD2 ARG A 57 20.725 9.799 -12.120 1.00 1.31 H new ATOM 0 HD3 ARG A 57 20.711 8.362 -13.123 1.00 1.31 H new ATOM 0 HE ARG A 57 21.573 9.889 -15.000 1.00 74.34 H new ATOM 0 HH11 ARG A 57 21.963 10.946 -11.655 1.00 34.15 H new ATOM 0 HH12 ARG A 57 23.542 11.682 -11.949 1.00 34.15 H new ATOM 0 HH21 ARG A 57 23.643 10.737 -15.345 1.00 43.24 H new ATOM 0 HH22 ARG A 57 24.488 11.563 -14.031 1.00 43.24 H new ATOM 863 N GLN A 58 15.208 8.579 -12.108 1.00 15.50 N ATOM 864 CA GLN A 58 14.105 7.892 -11.376 1.00 54.24 C ATOM 865 C GLN A 58 13.148 7.266 -12.322 1.00 52.50 C ATOM 866 O GLN A 58 12.871 6.062 -12.282 1.00 43.34 O ATOM 867 CB GLN A 58 13.317 8.869 -10.533 1.00 51.31 C ATOM 868 CG GLN A 58 14.093 9.554 -9.425 1.00 32.13 C ATOM 869 CD GLN A 58 14.709 8.577 -8.438 1.00 31.05 C ATOM 870 OE1 GLN A 58 14.201 7.471 -8.224 1.00 75.24 O ATOM 871 NE2 GLN A 58 15.756 8.988 -7.798 1.00 72.12 N ATOM 0 H GLN A 58 15.424 9.507 -11.744 1.00 15.50 H new ATOM 0 HA GLN A 58 14.575 7.137 -10.747 1.00 54.24 H new ATOM 0 HB2 GLN A 58 12.902 9.635 -11.189 1.00 51.31 H new ATOM 0 HB3 GLN A 58 12.474 8.340 -10.088 1.00 51.31 H new ATOM 0 HG2 GLN A 58 14.883 10.163 -9.865 1.00 32.13 H new ATOM 0 HG3 GLN A 58 13.428 10.232 -8.889 1.00 32.13 H new ATOM 0 HE21 GLN A 58 16.149 9.907 -8.000 1.00 72.12 H new ATOM 0 HE22 GLN A 58 16.188 8.393 -7.091 1.00 72.12 H new ATOM 880 N THR A 59 12.571 8.121 -13.032 1.00 22.51 N ATOM 881 CA THR A 59 11.812 7.928 -14.153 1.00 54.55 C ATOM 882 C THR A 59 12.542 6.945 -15.089 1.00 61.31 C ATOM 883 O THR A 59 12.295 5.736 -15.056 1.00 4.15 O ATOM 884 CB THR A 59 11.828 9.415 -14.677 1.00 10.32 C ATOM 885 OG1 THR A 59 11.144 10.309 -13.804 1.00 44.41 O ATOM 886 CG2 THR A 59 11.536 9.696 -16.098 1.00 74.41 C ATOM 0 H THR A 59 12.635 9.112 -12.799 1.00 22.51 H new ATOM 0 HA THR A 59 10.816 7.500 -14.038 1.00 54.55 H new ATOM 0 HB THR A 59 12.900 9.610 -14.651 1.00 10.32 H new ATOM 0 HG1 THR A 59 11.797 10.830 -13.292 1.00 44.41 H new ATOM 0 HG21 THR A 59 11.592 10.770 -16.276 1.00 74.41 H new ATOM 0 HG22 THR A 59 12.265 9.185 -16.727 1.00 74.41 H new ATOM 0 HG23 THR A 59 10.535 9.340 -16.341 1.00 74.41 H new ATOM 894 N CYS A 60 13.477 7.461 -15.771 1.00 34.41 N ATOM 895 CA CYS A 60 14.035 6.852 -16.968 1.00 31.34 C ATOM 896 C CYS A 60 15.082 7.756 -17.567 1.00 72.51 C ATOM 897 O CYS A 60 14.766 8.896 -17.935 1.00 42.13 O ATOM 898 CB CYS A 60 12.962 6.743 -18.090 1.00 65.53 C ATOM 899 SG CYS A 60 11.380 5.895 -17.768 1.00 13.14 S ATOM 0 H CYS A 60 13.912 8.351 -15.529 1.00 34.41 H new ATOM 0 HA CYS A 60 14.423 5.879 -16.665 1.00 31.34 H new ATOM 0 HB2 CYS A 60 12.725 7.758 -18.410 1.00 65.53 H new ATOM 0 HB3 CYS A 60 13.430 6.242 -18.937 1.00 65.53 H new ATOM 904 N GLN A 61 16.315 7.332 -17.642 1.00 65.53 N ATOM 905 CA GLN A 61 17.151 7.967 -18.597 1.00 34.52 C ATOM 906 C GLN A 61 17.457 7.015 -19.699 1.00 54.13 C ATOM 907 O GLN A 61 17.189 7.240 -20.839 1.00 51.32 O ATOM 908 CB GLN A 61 18.430 8.509 -18.047 1.00 22.35 C ATOM 909 CG GLN A 61 18.281 9.625 -17.088 1.00 33.44 C ATOM 910 CD GLN A 61 19.655 10.202 -16.743 1.00 54.10 C ATOM 911 OE1 GLN A 61 20.652 9.480 -16.699 1.00 50.53 O ATOM 912 NE2 GLN A 61 19.734 11.493 -16.545 1.00 61.41 N ATOM 0 H GLN A 61 16.737 6.590 -17.083 1.00 65.53 H new ATOM 0 HA GLN A 61 16.588 8.829 -18.955 1.00 34.52 H new ATOM 0 HB2 GLN A 61 18.968 7.698 -17.556 1.00 22.35 H new ATOM 0 HB3 GLN A 61 19.050 8.845 -18.878 1.00 22.35 H new ATOM 0 HG2 GLN A 61 17.648 10.402 -17.516 1.00 33.44 H new ATOM 0 HG3 GLN A 61 17.786 9.274 -16.182 1.00 33.44 H new ATOM 0 HE21 GLN A 61 18.892 12.068 -16.587 1.00 61.41 H new ATOM 0 HE22 GLN A 61 20.637 11.925 -16.349 1.00 61.41 H new ATOM 921 N TYR A 62 18.157 5.996 -19.315 1.00 45.13 N ATOM 922 CA TYR A 62 18.566 4.956 -20.184 1.00 13.13 C ATOM 923 C TYR A 62 18.014 3.633 -19.713 1.00 1.40 C ATOM 924 O TYR A 62 18.141 3.303 -18.530 1.00 61.25 O ATOM 925 CB TYR A 62 20.094 4.907 -20.245 1.00 74.43 C ATOM 926 CG TYR A 62 20.743 6.137 -20.848 1.00 50.52 C ATOM 927 CD1 TYR A 62 21.099 7.221 -20.054 1.00 55.21 C ATOM 928 CD2 TYR A 62 20.996 6.215 -22.207 1.00 4.31 C ATOM 929 CE1 TYR A 62 21.683 8.344 -20.596 1.00 12.41 C ATOM 930 CE2 TYR A 62 21.583 7.333 -22.757 1.00 41.22 C ATOM 931 CZ TYR A 62 21.923 8.396 -21.948 1.00 71.41 C ATOM 932 OH TYR A 62 22.507 9.517 -22.500 1.00 40.31 O ATOM 0 H TYR A 62 18.467 5.867 -18.352 1.00 45.13 H new ATOM 0 HA TYR A 62 18.178 5.152 -21.183 1.00 13.13 H new ATOM 0 HB2 TYR A 62 20.480 4.767 -19.235 1.00 74.43 H new ATOM 0 HB3 TYR A 62 20.393 4.034 -20.825 1.00 74.43 H new ATOM 0 HD1 TYR A 62 20.914 7.182 -18.991 1.00 55.21 H new ATOM 0 HD2 TYR A 62 20.729 5.386 -22.846 1.00 4.31 H new ATOM 0 HE1 TYR A 62 21.950 9.178 -19.963 1.00 12.41 H new ATOM 0 HE2 TYR A 62 21.776 7.377 -23.819 1.00 41.22 H new ATOM 0 HH TYR A 62 22.608 9.391 -23.467 1.00 40.31 H new ATOM 942 N PRO A 63 17.349 2.877 -20.578 1.00 22.05 N ATOM 943 CA PRO A 63 16.945 1.520 -20.260 1.00 50.11 C ATOM 944 C PRO A 63 18.189 0.616 -20.216 1.00 20.34 C ATOM 945 O PRO A 63 18.559 -0.032 -21.205 1.00 0.10 O ATOM 946 CB PRO A 63 16.023 1.139 -21.416 1.00 73.32 C ATOM 947 CG PRO A 63 16.432 2.020 -22.537 1.00 25.14 C ATOM 948 CD PRO A 63 16.897 3.292 -21.908 1.00 31.22 C ATOM 0 HA PRO A 63 16.452 1.420 -19.293 1.00 50.11 H new ATOM 0 HB2 PRO A 63 16.134 0.087 -21.680 1.00 73.32 H new ATOM 0 HB3 PRO A 63 14.976 1.293 -21.154 1.00 73.32 H new ATOM 0 HG2 PRO A 63 17.227 1.561 -23.125 1.00 25.14 H new ATOM 0 HG3 PRO A 63 15.598 2.201 -23.216 1.00 25.14 H new ATOM 0 HD2 PRO A 63 17.704 3.750 -22.480 1.00 31.22 H new ATOM 0 HD3 PRO A 63 16.093 4.026 -21.847 1.00 31.22 H new ATOM 956 N VAL A 64 18.876 0.683 -19.110 1.00 74.44 N ATOM 957 CA VAL A 64 20.072 -0.077 -18.870 1.00 64.52 C ATOM 958 C VAL A 64 19.901 -0.908 -17.618 1.00 34.44 C ATOM 959 O VAL A 64 19.150 -0.529 -16.704 1.00 41.52 O ATOM 960 CB VAL A 64 21.335 0.837 -18.731 1.00 23.13 C ATOM 961 CG1 VAL A 64 21.635 1.551 -20.035 1.00 73.45 C ATOM 962 CG2 VAL A 64 21.156 1.862 -17.610 1.00 40.02 C ATOM 0 H VAL A 64 18.613 1.284 -18.329 1.00 74.44 H new ATOM 0 HA VAL A 64 20.231 -0.725 -19.732 1.00 64.52 H new ATOM 0 HB VAL A 64 22.177 0.191 -18.481 1.00 23.13 H new ATOM 0 HG11 VAL A 64 22.517 2.179 -19.911 1.00 73.45 H new ATOM 0 HG12 VAL A 64 21.820 0.816 -20.818 1.00 73.45 H new ATOM 0 HG13 VAL A 64 20.784 2.172 -20.314 1.00 73.45 H new ATOM 0 HG21 VAL A 64 22.050 2.482 -17.538 1.00 40.02 H new ATOM 0 HG22 VAL A 64 20.294 2.492 -17.827 1.00 40.02 H new ATOM 0 HG23 VAL A 64 20.997 1.343 -16.665 1.00 40.02 H new ATOM 972 N GLY A 65 20.548 -2.018 -17.580 1.00 72.21 N ATOM 973 CA GLY A 65 20.479 -2.894 -16.468 1.00 31.14 C ATOM 974 C GLY A 65 20.600 -4.289 -16.963 1.00 5.42 C ATOM 975 O GLY A 65 20.055 -5.209 -16.337 1.00 14.12 O ATOM 976 OXT GLY A 65 21.199 -4.482 -18.053 1.00 0.00 O ATOM 0 H GLY A 65 21.150 -2.348 -18.334 1.00 72.21 H new ATOM 0 HA2 GLY A 65 21.278 -2.672 -15.760 1.00 31.14 H new ATOM 0 HA3 GLY A 65 19.536 -2.760 -15.937 1.00 31.14 H new TER 980 GLY A 65