USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 458 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 25 GLN : amide:sc= -0.704 K(o=-5.3,f=-6.1!) USER MOD Set 1.2: A 27 LYS NZ :NH3+ 141:sc= -4.55! (180deg=-3.63!) USER MOD Single : A 1 CYS N :NH3+ -107:sc= -7.8! (180deg=-12.2!) USER MOD Single : A 1 CYS SG : rot 180:sc= -3.67! USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -151:sc= -2.67 (180deg=-4.77!) USER MOD Single : A 4 ASN : amide:sc= -3.91! C(o=-3.9!,f=-8!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= -6.68! (180deg=-7.2!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 150:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.648 X(o=-0.65,f=-0.67) USER MOD Single : A 35 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.177 F(o=-1.7,f=-0.18) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -74:sc= 0.851 USER MOD Single : A 53 ASN :FLIP amide:sc= -2.41 F(o=-9!,f=-2.4) USER MOD Single : A 54 GLN : amide:sc= -0.036 K(o=-0.036,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 37.406 -18.072 0.158 1.00 1.00 N ATOM 2 CA CYS A 1 36.849 -18.475 1.479 1.00 1.00 C ATOM 3 C CYS A 1 37.764 -19.516 2.114 1.00 1.00 C ATOM 4 O CYS A 1 37.351 -20.261 3.003 1.00 1.00 O ATOM 5 CB CYS A 1 35.444 -19.059 1.280 1.00 1.00 C ATOM 6 SG CYS A 1 34.600 -18.163 -0.044 1.00 1.00 S ATOM 0 H1 CYS A 1 37.806 -17.114 0.227 1.00 1.00 H new ATOM 0 H2 CYS A 1 38.153 -18.740 -0.122 1.00 1.00 H new ATOM 0 H3 CYS A 1 36.649 -18.080 -0.555 1.00 1.00 H new ATOM 0 HA CYS A 1 36.785 -17.607 2.136 1.00 1.00 H new ATOM 0 HB2 CYS A 1 35.511 -20.118 1.031 1.00 1.00 H new ATOM 0 HB3 CYS A 1 34.873 -18.984 2.206 1.00 1.00 H new ATOM 0 HG CYS A 1 33.411 -18.659 -0.214 1.00 1.00 H new ATOM 14 N SER A 2 39.008 -19.571 1.645 1.00 1.00 N ATOM 15 CA SER A 2 39.972 -20.534 2.167 1.00 1.00 C ATOM 16 C SER A 2 40.648 -20.006 3.420 1.00 1.00 C ATOM 17 O SER A 2 41.674 -20.530 3.850 1.00 1.00 O ATOM 18 CB SER A 2 41.023 -20.858 1.103 1.00 1.00 C ATOM 19 OG SER A 2 40.372 -21.192 -0.115 1.00 1.00 O ATOM 0 H SER A 2 39.370 -18.964 0.909 1.00 1.00 H new ATOM 0 HA SER A 2 39.433 -21.445 2.428 1.00 1.00 H new ATOM 0 HB2 SER A 2 41.682 -20.002 0.954 1.00 1.00 H new ATOM 0 HB3 SER A 2 41.648 -21.687 1.434 1.00 1.00 H new ATOM 0 HG SER A 2 41.043 -21.398 -0.799 1.00 1.00 H new ATOM 25 N LYS A 3 40.056 -18.974 4.008 1.00 1.00 N ATOM 26 CA LYS A 3 40.604 -18.381 5.233 1.00 1.00 C ATOM 27 C LYS A 3 42.128 -18.326 5.161 1.00 1.00 C ATOM 28 O LYS A 3 42.825 -18.856 6.026 1.00 1.00 O ATOM 29 CB LYS A 3 40.177 -19.226 6.432 1.00 1.00 C ATOM 30 CG LYS A 3 38.676 -19.016 6.710 1.00 1.00 C ATOM 31 CD LYS A 3 38.102 -20.194 7.521 1.00 1.00 C ATOM 32 CE LYS A 3 38.514 -20.092 8.998 1.00 1.00 C ATOM 33 NZ LYS A 3 37.529 -19.253 9.734 1.00 1.00 N ATOM 0 H LYS A 3 39.204 -18.530 3.665 1.00 1.00 H new ATOM 0 HA LYS A 3 40.223 -17.365 5.340 1.00 1.00 H new ATOM 0 HB2 LYS A 3 40.376 -20.280 6.235 1.00 1.00 H new ATOM 0 HB3 LYS A 3 40.761 -18.950 7.310 1.00 1.00 H new ATOM 0 HG2 LYS A 3 38.529 -18.085 7.258 1.00 1.00 H new ATOM 0 HG3 LYS A 3 38.137 -18.920 5.768 1.00 1.00 H new ATOM 0 HD2 LYS A 3 37.015 -20.200 7.442 1.00 1.00 H new ATOM 0 HD3 LYS A 3 38.458 -21.136 7.104 1.00 1.00 H new ATOM 0 HE2 LYS A 3 38.563 -21.086 9.442 1.00 1.00 H new ATOM 0 HE3 LYS A 3 39.510 -19.657 9.079 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 38.002 -18.781 10.531 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 37.135 -18.536 9.092 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 36.761 -19.855 10.094 1.00 1.00 H new ATOM 47 N ASN A 4 42.631 -17.695 4.109 1.00 1.00 N ATOM 48 CA ASN A 4 44.081 -17.587 3.909 1.00 1.00 C ATOM 49 C ASN A 4 44.426 -16.410 2.997 1.00 1.00 C ATOM 50 O ASN A 4 45.298 -15.603 3.318 1.00 1.00 O ATOM 51 CB ASN A 4 44.626 -18.886 3.303 1.00 1.00 C ATOM 52 CG ASN A 4 46.147 -18.904 3.392 1.00 1.00 C ATOM 53 OD1 ASN A 4 46.706 -19.080 4.473 1.00 1.00 O ATOM 54 ND2 ASN A 4 46.855 -18.724 2.310 1.00 1.00 N ATOM 0 H ASN A 4 42.068 -17.252 3.383 1.00 1.00 H new ATOM 0 HA ASN A 4 44.543 -17.416 4.881 1.00 1.00 H new ATOM 0 HB2 ASN A 4 44.212 -19.745 3.831 1.00 1.00 H new ATOM 0 HB3 ASN A 4 44.313 -18.971 2.262 1.00 1.00 H new ATOM 0 HD21 ASN A 4 47.874 -18.729 2.360 1.00 1.00 H new ATOM 0 HD22 ASN A 4 46.389 -18.578 1.414 1.00 1.00 H new ATOM 61 N ARG A 5 43.736 -16.317 1.863 1.00 1.00 N ATOM 62 CA ARG A 5 43.969 -15.236 0.911 1.00 1.00 C ATOM 63 C ARG A 5 44.012 -13.887 1.629 1.00 1.00 C ATOM 64 O ARG A 5 44.390 -12.874 1.041 1.00 1.00 O ATOM 65 CB ARG A 5 42.849 -15.210 -0.133 1.00 1.00 C ATOM 66 CG ARG A 5 42.926 -16.454 -1.032 1.00 1.00 C ATOM 67 CD ARG A 5 42.599 -17.726 -0.231 1.00 1.00 C ATOM 68 NE ARG A 5 41.550 -17.468 0.751 1.00 1.00 N ATOM 69 CZ ARG A 5 40.296 -17.241 0.380 1.00 1.00 C ATOM 70 NH1 ARG A 5 39.968 -17.289 -0.882 1.00 1.00 N ATOM 71 NH2 ARG A 5 39.388 -16.983 1.283 1.00 1.00 N ATOM 0 H ARG A 5 43.011 -16.977 1.582 1.00 1.00 H new ATOM 0 HA ARG A 5 44.927 -15.412 0.422 1.00 1.00 H new ATOM 0 HB2 ARG A 5 41.880 -15.173 0.365 1.00 1.00 H new ATOM 0 HB3 ARG A 5 42.930 -14.309 -0.741 1.00 1.00 H new ATOM 0 HG2 ARG A 5 42.228 -16.352 -1.863 1.00 1.00 H new ATOM 0 HG3 ARG A 5 43.924 -16.536 -1.463 1.00 1.00 H new ATOM 0 HD2 ARG A 5 42.280 -18.516 -0.910 1.00 1.00 H new ATOM 0 HD3 ARG A 5 43.496 -18.083 0.275 1.00 1.00 H new ATOM 0 HE ARG A 5 41.786 -17.462 1.743 1.00 1.00 H new ATOM 0 HH11 ARG A 5 40.676 -17.501 -1.585 1.00 1.00 H new ATOM 0 HH12 ARG A 5 39.004 -17.114 -1.165 1.00 1.00 H new ATOM 0 HH21 ARG A 5 39.644 -16.956 2.270 1.00 1.00 H new ATOM 0 HH22 ARG A 5 38.423 -16.808 1.001 1.00 1.00 H new ATOM 85 N LYS A 6 43.627 -13.883 2.907 1.00 1.00 N ATOM 86 CA LYS A 6 43.628 -12.663 3.708 1.00 1.00 C ATOM 87 C LYS A 6 44.356 -12.906 5.020 1.00 1.00 C ATOM 88 O LYS A 6 44.060 -13.855 5.745 1.00 1.00 O ATOM 89 CB LYS A 6 42.192 -12.212 3.999 1.00 1.00 C ATOM 90 CG LYS A 6 41.511 -11.800 2.692 1.00 1.00 C ATOM 91 CD LYS A 6 40.026 -11.507 2.947 1.00 1.00 C ATOM 92 CE LYS A 6 39.867 -10.178 3.693 1.00 1.00 C ATOM 93 NZ LYS A 6 38.441 -9.758 3.643 1.00 1.00 N ATOM 0 H LYS A 6 43.311 -14.714 3.407 1.00 1.00 H new ATOM 0 HA LYS A 6 44.139 -11.881 3.146 1.00 1.00 H new ATOM 0 HB2 LYS A 6 41.635 -13.020 4.473 1.00 1.00 H new ATOM 0 HB3 LYS A 6 42.197 -11.376 4.698 1.00 1.00 H new ATOM 0 HG2 LYS A 6 41.999 -10.917 2.280 1.00 1.00 H new ATOM 0 HG3 LYS A 6 41.612 -12.595 1.953 1.00 1.00 H new ATOM 0 HD2 LYS A 6 39.488 -11.467 2.000 1.00 1.00 H new ATOM 0 HD3 LYS A 6 39.584 -12.315 3.530 1.00 1.00 H new ATOM 0 HE2 LYS A 6 40.191 -10.287 4.728 1.00 1.00 H new ATOM 0 HE3 LYS A 6 40.500 -9.415 3.240 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 38.327 -8.856 4.148 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 38.149 -9.639 2.652 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 37.849 -10.485 4.094 1.00 1.00 H new ATOM 107 N ALA A 7 45.307 -12.036 5.311 1.00 1.00 N ATOM 108 CA ALA A 7 46.092 -12.140 6.542 1.00 1.00 C ATOM 109 C ALA A 7 47.161 -13.223 6.417 1.00 1.00 C ATOM 110 O ALA A 7 48.355 -12.925 6.434 1.00 1.00 O ATOM 111 CB ALA A 7 45.169 -12.451 7.731 1.00 1.00 C ATOM 0 H ALA A 7 45.559 -11.247 4.716 1.00 1.00 H new ATOM 0 HA ALA A 7 46.588 -11.185 6.712 1.00 1.00 H new ATOM 0 HB1 ALA A 7 45.762 -12.526 8.642 1.00 1.00 H new ATOM 0 HB2 ALA A 7 44.435 -11.652 7.841 1.00 1.00 H new ATOM 0 HB3 ALA A 7 44.654 -13.395 7.554 1.00 1.00 H new ATOM 117 N LYS A 8 46.735 -14.484 6.307 1.00 1.00 N ATOM 118 CA LYS A 8 47.686 -15.586 6.200 1.00 1.00 C ATOM 119 C LYS A 8 48.000 -15.864 4.729 1.00 1.00 C ATOM 120 O LYS A 8 47.392 -16.727 4.101 1.00 1.00 O ATOM 121 CB LYS A 8 47.114 -16.846 6.886 1.00 1.00 C ATOM 122 CG LYS A 8 46.145 -16.441 8.011 1.00 1.00 C ATOM 123 CD LYS A 8 46.876 -15.607 9.079 1.00 1.00 C ATOM 124 CE LYS A 8 45.876 -15.110 10.143 1.00 1.00 C ATOM 125 NZ LYS A 8 45.761 -16.114 11.236 1.00 1.00 N ATOM 0 H LYS A 8 45.754 -14.762 6.290 1.00 1.00 H new ATOM 0 HA LYS A 8 48.613 -15.311 6.704 1.00 1.00 H new ATOM 0 HB2 LYS A 8 46.595 -17.465 6.154 1.00 1.00 H new ATOM 0 HB3 LYS A 8 47.926 -17.448 7.294 1.00 1.00 H new ATOM 0 HG2 LYS A 8 45.317 -15.866 7.596 1.00 1.00 H new ATOM 0 HG3 LYS A 8 45.716 -17.333 8.468 1.00 1.00 H new ATOM 0 HD2 LYS A 8 47.652 -16.208 9.552 1.00 1.00 H new ATOM 0 HD3 LYS A 8 47.372 -14.757 8.610 1.00 1.00 H new ATOM 0 HE2 LYS A 8 46.208 -14.154 10.548 1.00 1.00 H new ATOM 0 HE3 LYS A 8 44.900 -14.942 9.687 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 45.313 -15.675 12.065 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 45.181 -16.915 10.912 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 46.709 -16.455 11.495 1.00 1.00 H new ATOM 139 N ALA A 9 48.952 -15.109 4.195 1.00 1.00 N ATOM 140 CA ALA A 9 49.362 -15.254 2.797 1.00 1.00 C ATOM 141 C ALA A 9 50.164 -14.031 2.351 1.00 1.00 C ATOM 142 O ALA A 9 49.693 -12.898 2.448 1.00 1.00 O ATOM 143 CB ALA A 9 48.128 -15.430 1.894 1.00 1.00 C ATOM 0 H ALA A 9 49.458 -14.387 4.708 1.00 1.00 H new ATOM 0 HA ALA A 9 49.991 -16.140 2.711 1.00 1.00 H new ATOM 0 HB1 ALA A 9 48.448 -15.537 0.857 1.00 1.00 H new ATOM 0 HB2 ALA A 9 47.579 -16.321 2.198 1.00 1.00 H new ATOM 0 HB3 ALA A 9 47.482 -14.557 1.986 1.00 1.00 H new ATOM 149 N LYS A 10 51.373 -14.277 1.855 1.00 1.00 N ATOM 150 CA LYS A 10 52.248 -13.204 1.381 1.00 1.00 C ATOM 151 C LYS A 10 53.568 -13.792 0.868 1.00 1.00 C ATOM 152 O LYS A 10 54.072 -13.381 -0.178 1.00 1.00 O ATOM 153 CB LYS A 10 52.525 -12.171 2.510 1.00 1.00 C ATOM 154 CG LYS A 10 52.419 -10.737 1.963 1.00 1.00 C ATOM 155 CD LYS A 10 53.148 -9.766 2.899 1.00 1.00 C ATOM 156 CE LYS A 10 52.530 -9.836 4.300 1.00 1.00 C ATOM 157 NZ LYS A 10 52.922 -8.626 5.079 1.00 1.00 N ATOM 0 H LYS A 10 51.772 -15.212 1.770 1.00 1.00 H new ATOM 0 HA LYS A 10 51.744 -12.687 0.564 1.00 1.00 H new ATOM 0 HB2 LYS A 10 51.812 -12.311 3.322 1.00 1.00 H new ATOM 0 HB3 LYS A 10 53.519 -12.336 2.926 1.00 1.00 H new ATOM 0 HG2 LYS A 10 52.852 -10.687 0.964 1.00 1.00 H new ATOM 0 HG3 LYS A 10 51.371 -10.450 1.871 1.00 1.00 H new ATOM 0 HD2 LYS A 10 54.208 -10.017 2.946 1.00 1.00 H new ATOM 0 HD3 LYS A 10 53.078 -8.750 2.511 1.00 1.00 H new ATOM 0 HE2 LYS A 10 51.444 -9.898 4.227 1.00 1.00 H new ATOM 0 HE3 LYS A 10 52.867 -10.737 4.813 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 52.502 -8.674 6.029 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 53.958 -8.586 5.160 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 52.579 -7.773 4.592 1.00 1.00 H new ATOM 171 N PRO A 11 54.135 -14.736 1.581 1.00 1.00 N ATOM 172 CA PRO A 11 55.424 -15.379 1.180 1.00 1.00 C ATOM 173 C PRO A 11 55.322 -16.082 -0.167 1.00 1.00 C ATOM 174 O PRO A 11 54.322 -16.726 -0.477 1.00 1.00 O ATOM 175 CB PRO A 11 55.723 -16.364 2.328 1.00 1.00 C ATOM 176 CG PRO A 11 54.880 -15.896 3.474 1.00 1.00 C ATOM 177 CD PRO A 11 53.627 -15.299 2.843 1.00 1.00 C ATOM 0 HA PRO A 11 56.223 -14.651 1.041 1.00 1.00 H new ATOM 0 HB2 PRO A 11 55.472 -17.386 2.046 1.00 1.00 H new ATOM 0 HB3 PRO A 11 56.781 -16.356 2.588 1.00 1.00 H new ATOM 0 HG2 PRO A 11 54.629 -16.722 4.139 1.00 1.00 H new ATOM 0 HG3 PRO A 11 55.409 -15.155 4.073 1.00 1.00 H new ATOM 0 HD2 PRO A 11 52.862 -16.055 2.670 1.00 1.00 H new ATOM 0 HD3 PRO A 11 53.180 -14.533 3.477 1.00 1.00 H new ATOM 185 N VAL A 12 56.380 -15.947 -0.958 1.00 1.00 N ATOM 186 CA VAL A 12 56.426 -16.566 -2.273 1.00 1.00 C ATOM 187 C VAL A 12 56.376 -18.074 -2.136 1.00 1.00 C ATOM 188 O VAL A 12 55.769 -18.777 -2.945 1.00 1.00 O ATOM 189 CB VAL A 12 57.705 -16.146 -2.999 1.00 1.00 C ATOM 190 CG1 VAL A 12 57.537 -14.729 -3.562 1.00 1.00 C ATOM 191 CG2 VAL A 12 58.882 -16.163 -2.020 1.00 1.00 C ATOM 0 H VAL A 12 57.215 -15.415 -0.711 1.00 1.00 H new ATOM 0 HA VAL A 12 55.564 -16.237 -2.854 1.00 1.00 H new ATOM 0 HB VAL A 12 57.898 -16.843 -3.815 1.00 1.00 H new ATOM 0 HG11 VAL A 12 58.450 -14.432 -4.079 1.00 1.00 H new ATOM 0 HG12 VAL A 12 56.702 -14.712 -4.262 1.00 1.00 H new ATOM 0 HG13 VAL A 12 57.340 -14.034 -2.746 1.00 1.00 H new ATOM 0 HG21 VAL A 12 59.792 -15.863 -2.540 1.00 1.00 H new ATOM 0 HG22 VAL A 12 58.686 -15.469 -1.203 1.00 1.00 H new ATOM 0 HG23 VAL A 12 59.007 -17.169 -1.619 1.00 1.00 H new ATOM 201 N THR A 13 57.012 -18.545 -1.094 1.00 1.00 N ATOM 202 CA THR A 13 57.045 -19.968 -0.811 1.00 1.00 C ATOM 203 C THR A 13 55.624 -20.479 -0.642 1.00 1.00 C ATOM 204 O THR A 13 55.290 -21.566 -1.112 1.00 1.00 O ATOM 205 CB THR A 13 57.859 -20.260 0.455 1.00 1.00 C ATOM 206 OG1 THR A 13 59.097 -19.569 0.393 1.00 1.00 O ATOM 207 CG2 THR A 13 58.112 -21.764 0.553 1.00 1.00 C ATOM 0 H THR A 13 57.517 -17.967 -0.422 1.00 1.00 H new ATOM 0 HA THR A 13 57.525 -20.479 -1.646 1.00 1.00 H new ATOM 0 HB THR A 13 57.306 -19.926 1.333 1.00 1.00 H new ATOM 0 HG1 THR A 13 59.616 -19.755 1.203 1.00 1.00 H new ATOM 0 HG21 THR A 13 58.691 -21.978 1.452 1.00 1.00 H new ATOM 0 HG22 THR A 13 57.159 -22.291 0.601 1.00 1.00 H new ATOM 0 HG23 THR A 13 58.667 -22.097 -0.324 1.00 1.00 H new ATOM 215 N ARG A 14 54.783 -19.692 0.027 1.00 1.00 N ATOM 216 CA ARG A 14 53.396 -20.112 0.227 1.00 1.00 C ATOM 217 C ARG A 14 52.633 -20.137 -1.097 1.00 1.00 C ATOM 218 O ARG A 14 51.518 -20.655 -1.159 1.00 1.00 O ATOM 219 CB ARG A 14 52.681 -19.184 1.215 1.00 1.00 C ATOM 220 CG ARG A 14 53.386 -19.238 2.584 1.00 1.00 C ATOM 221 CD ARG A 14 52.802 -20.370 3.430 1.00 1.00 C ATOM 222 NE ARG A 14 51.396 -20.109 3.706 1.00 1.00 N ATOM 223 CZ ARG A 14 51.033 -19.150 4.550 1.00 1.00 C ATOM 224 NH1 ARG A 14 51.944 -18.418 5.128 1.00 1.00 N ATOM 225 NH2 ARG A 14 49.769 -18.936 4.795 1.00 1.00 N ATOM 0 H ARG A 14 55.026 -18.787 0.429 1.00 1.00 H new ATOM 0 HA ARG A 14 53.416 -21.121 0.639 1.00 1.00 H new ATOM 0 HB2 ARG A 14 52.682 -18.162 0.835 1.00 1.00 H new ATOM 0 HB3 ARG A 14 51.638 -19.484 1.320 1.00 1.00 H new ATOM 0 HG2 ARG A 14 54.456 -19.392 2.445 1.00 1.00 H new ATOM 0 HG3 ARG A 14 53.265 -18.287 3.102 1.00 1.00 H new ATOM 0 HD2 ARG A 14 52.908 -21.320 2.905 1.00 1.00 H new ATOM 0 HD3 ARG A 14 53.355 -20.459 4.365 1.00 1.00 H new ATOM 0 HE ARG A 14 50.680 -20.670 3.245 1.00 1.00 H new ATOM 0 HH11 ARG A 14 52.931 -18.583 4.931 1.00 1.00 H new ATOM 0 HH12 ARG A 14 51.670 -17.680 5.777 1.00 1.00 H new ATOM 0 HH21 ARG A 14 49.057 -19.506 4.338 1.00 1.00 H new ATOM 0 HH22 ARG A 14 49.493 -18.199 5.444 1.00 1.00 H new ATOM 239 N GLY A 15 53.231 -19.584 -2.156 1.00 1.00 N ATOM 240 CA GLY A 15 52.574 -19.569 -3.465 1.00 1.00 C ATOM 241 C GLY A 15 51.816 -18.267 -3.677 1.00 1.00 C ATOM 242 O GLY A 15 51.486 -17.923 -4.807 1.00 1.00 O ATOM 0 H GLY A 15 54.153 -19.148 -2.135 1.00 1.00 H new ATOM 0 HA2 GLY A 15 53.318 -19.693 -4.251 1.00 1.00 H new ATOM 0 HA3 GLY A 15 51.886 -20.411 -3.541 1.00 1.00 H new ATOM 246 N THR A 16 51.545 -17.552 -2.578 1.00 1.00 N ATOM 247 CA THR A 16 50.815 -16.277 -2.636 1.00 1.00 C ATOM 248 C THR A 16 49.317 -16.535 -2.775 1.00 1.00 C ATOM 249 O THR A 16 48.491 -15.773 -2.267 1.00 1.00 O ATOM 250 CB THR A 16 51.355 -15.389 -3.792 1.00 1.00 C ATOM 251 OG1 THR A 16 51.608 -14.087 -3.284 1.00 1.00 O ATOM 252 CG2 THR A 16 50.357 -15.285 -4.964 1.00 1.00 C ATOM 0 H THR A 16 51.820 -17.834 -1.637 1.00 1.00 H new ATOM 0 HA THR A 16 50.976 -15.733 -1.705 1.00 1.00 H new ATOM 0 HB THR A 16 52.266 -15.850 -4.173 1.00 1.00 H new ATOM 0 HG1 THR A 16 51.951 -13.516 -4.003 1.00 1.00 H new ATOM 0 HG21 THR A 16 50.779 -14.655 -5.747 1.00 1.00 H new ATOM 0 HG22 THR A 16 50.162 -16.280 -5.365 1.00 1.00 H new ATOM 0 HG23 THR A 16 49.424 -14.847 -4.610 1.00 1.00 H new ATOM 260 N GLY A 17 48.978 -17.602 -3.485 1.00 1.00 N ATOM 261 CA GLY A 17 47.581 -17.957 -3.717 1.00 1.00 C ATOM 262 C GLY A 17 47.235 -17.724 -5.177 1.00 1.00 C ATOM 263 O GLY A 17 47.847 -16.895 -5.847 1.00 1.00 O ATOM 0 H GLY A 17 49.651 -18.239 -3.912 1.00 1.00 H new ATOM 0 HA2 GLY A 17 47.412 -19.001 -3.454 1.00 1.00 H new ATOM 0 HA3 GLY A 17 46.932 -17.358 -3.078 1.00 1.00 H new ATOM 267 N ALA A 18 46.261 -18.459 -5.664 1.00 1.00 N ATOM 268 CA ALA A 18 45.848 -18.325 -7.050 1.00 1.00 C ATOM 269 C ALA A 18 44.519 -19.059 -7.272 1.00 1.00 C ATOM 270 O ALA A 18 44.248 -20.056 -6.604 1.00 1.00 O ATOM 271 CB ALA A 18 46.937 -18.915 -7.958 1.00 1.00 C ATOM 0 H ALA A 18 45.740 -19.153 -5.128 1.00 1.00 H new ATOM 0 HA ALA A 18 45.708 -17.271 -7.291 1.00 1.00 H new ATOM 0 HB1 ALA A 18 46.634 -18.818 -9.000 1.00 1.00 H new ATOM 0 HB2 ALA A 18 47.872 -18.378 -7.801 1.00 1.00 H new ATOM 0 HB3 ALA A 18 47.079 -19.969 -7.718 1.00 1.00 H new ATOM 277 N GLY A 19 43.695 -18.579 -8.209 1.00 1.00 N ATOM 278 CA GLY A 19 42.408 -19.226 -8.489 1.00 1.00 C ATOM 279 C GLY A 19 41.731 -19.740 -7.222 1.00 1.00 C ATOM 280 O GLY A 19 41.367 -20.912 -7.131 1.00 1.00 O ATOM 0 H GLY A 19 43.891 -17.757 -8.779 1.00 1.00 H new ATOM 0 HA2 GLY A 19 41.748 -18.517 -8.989 1.00 1.00 H new ATOM 0 HA3 GLY A 19 42.563 -20.056 -9.178 1.00 1.00 H new ATOM 284 N SER A 20 41.567 -18.848 -6.255 1.00 1.00 N ATOM 285 CA SER A 20 40.929 -19.196 -4.984 1.00 1.00 C ATOM 286 C SER A 20 39.409 -19.053 -5.047 1.00 1.00 C ATOM 287 O SER A 20 38.679 -19.827 -4.429 1.00 1.00 O ATOM 288 CB SER A 20 41.450 -18.278 -3.881 1.00 1.00 C ATOM 289 OG SER A 20 42.868 -18.222 -3.940 1.00 1.00 O ATOM 0 H SER A 20 41.866 -17.875 -6.323 1.00 1.00 H new ATOM 0 HA SER A 20 41.172 -20.238 -4.775 1.00 1.00 H new ATOM 0 HB2 SER A 20 41.031 -17.278 -3.997 1.00 1.00 H new ATOM 0 HB3 SER A 20 41.130 -18.646 -2.906 1.00 1.00 H new ATOM 0 HG SER A 20 43.175 -17.349 -3.618 1.00 1.00 H new ATOM 295 N ARG A 21 38.960 -18.041 -5.772 1.00 1.00 N ATOM 296 CA ARG A 21 37.535 -17.739 -5.907 1.00 1.00 C ATOM 297 C ARG A 21 37.281 -16.495 -6.792 1.00 1.00 C ATOM 298 O ARG A 21 36.237 -16.410 -7.439 1.00 1.00 O ATOM 299 CB ARG A 21 36.909 -17.475 -4.515 1.00 1.00 C ATOM 300 CG ARG A 21 35.394 -17.743 -4.558 1.00 1.00 C ATOM 301 CD ARG A 21 35.108 -19.249 -4.723 1.00 1.00 C ATOM 302 NE ARG A 21 33.941 -19.622 -3.934 1.00 1.00 N ATOM 303 CZ ARG A 21 33.667 -20.897 -3.688 1.00 1.00 C ATOM 304 NH1 ARG A 21 34.451 -21.829 -4.158 1.00 1.00 N ATOM 305 NH2 ARG A 21 32.621 -21.219 -2.976 1.00 1.00 N ATOM 0 H ARG A 21 39.569 -17.403 -6.285 1.00 1.00 H new ATOM 0 HA ARG A 21 37.076 -18.607 -6.381 1.00 1.00 H new ATOM 0 HB2 ARG A 21 37.379 -18.116 -3.769 1.00 1.00 H new ATOM 0 HB3 ARG A 21 37.096 -16.444 -4.213 1.00 1.00 H new ATOM 0 HG2 ARG A 21 34.930 -17.379 -3.642 1.00 1.00 H new ATOM 0 HG3 ARG A 21 34.946 -17.191 -5.384 1.00 1.00 H new ATOM 0 HD2 ARG A 21 34.937 -19.482 -5.774 1.00 1.00 H new ATOM 0 HD3 ARG A 21 35.974 -19.829 -4.404 1.00 1.00 H new ATOM 0 HE ARG A 21 33.328 -18.895 -3.567 1.00 1.00 H new ATOM 0 HH11 ARG A 21 35.270 -21.576 -4.711 1.00 1.00 H new ATOM 0 HH12 ARG A 21 34.245 -22.810 -3.972 1.00 1.00 H new ATOM 0 HH21 ARG A 21 32.011 -20.489 -2.607 1.00 1.00 H new ATOM 0 HH22 ARG A 21 32.414 -22.200 -2.789 1.00 1.00 H new ATOM 319 N PRO A 22 38.170 -15.512 -6.809 1.00 1.00 N ATOM 320 CA PRO A 22 37.948 -14.257 -7.601 1.00 1.00 C ATOM 321 C PRO A 22 37.453 -14.505 -9.022 1.00 1.00 C ATOM 322 O PRO A 22 36.562 -13.806 -9.506 1.00 1.00 O ATOM 323 CB PRO A 22 39.325 -13.587 -7.596 1.00 1.00 C ATOM 324 CG PRO A 22 39.953 -14.029 -6.316 1.00 1.00 C ATOM 325 CD PRO A 22 39.467 -15.463 -6.092 1.00 1.00 C ATOM 0 HA PRO A 22 37.160 -13.644 -7.164 1.00 1.00 H new ATOM 0 HB2 PRO A 22 39.919 -13.895 -8.456 1.00 1.00 H new ATOM 0 HB3 PRO A 22 39.238 -12.501 -7.641 1.00 1.00 H new ATOM 0 HG2 PRO A 22 41.040 -13.989 -6.379 1.00 1.00 H new ATOM 0 HG3 PRO A 22 39.657 -13.382 -5.490 1.00 1.00 H new ATOM 0 HD2 PRO A 22 40.173 -16.192 -6.491 1.00 1.00 H new ATOM 0 HD3 PRO A 22 39.347 -15.684 -5.031 1.00 1.00 H new ATOM 333 N ARG A 23 38.019 -15.499 -9.673 1.00 1.00 N ATOM 334 CA ARG A 23 37.624 -15.851 -11.050 1.00 1.00 C ATOM 335 C ARG A 23 36.905 -17.215 -11.063 1.00 1.00 C ATOM 336 O ARG A 23 37.151 -18.060 -10.202 1.00 1.00 O ATOM 337 CB ARG A 23 38.875 -15.841 -11.985 1.00 1.00 C ATOM 338 CG ARG A 23 39.521 -17.237 -12.116 1.00 1.00 C ATOM 339 CD ARG A 23 40.098 -17.673 -10.772 1.00 1.00 C ATOM 340 NE ARG A 23 40.372 -19.110 -10.777 1.00 1.00 N ATOM 341 CZ ARG A 23 41.381 -19.616 -11.479 1.00 1.00 C ATOM 342 NH1 ARG A 23 42.119 -18.830 -12.211 1.00 1.00 N ATOM 343 NH2 ARG A 23 41.630 -20.898 -11.440 1.00 1.00 N ATOM 0 H ARG A 23 38.756 -16.087 -9.284 1.00 1.00 H new ATOM 0 HA ARG A 23 36.923 -15.107 -11.430 1.00 1.00 H new ATOM 0 HB2 ARG A 23 38.584 -15.484 -12.973 1.00 1.00 H new ATOM 0 HB3 ARG A 23 39.611 -15.138 -11.595 1.00 1.00 H new ATOM 0 HG2 ARG A 23 38.779 -17.960 -12.454 1.00 1.00 H new ATOM 0 HG3 ARG A 23 40.309 -17.213 -12.869 1.00 1.00 H new ATOM 0 HD2 ARG A 23 41.016 -17.122 -10.567 1.00 1.00 H new ATOM 0 HD3 ARG A 23 39.397 -17.433 -9.973 1.00 1.00 H new ATOM 0 HE ARG A 23 39.778 -19.735 -10.232 1.00 1.00 H new ATOM 0 HH11 ARG A 23 41.922 -17.830 -12.244 1.00 1.00 H new ATOM 0 HH12 ARG A 23 42.894 -19.215 -12.751 1.00 1.00 H new ATOM 0 HH21 ARG A 23 41.049 -21.513 -10.870 1.00 1.00 H new ATOM 0 HH22 ARG A 23 42.405 -21.284 -11.980 1.00 1.00 H new ATOM 357 N GLY A 24 36.014 -17.421 -12.043 1.00 1.00 N ATOM 358 CA GLY A 24 35.270 -18.686 -12.152 1.00 1.00 C ATOM 359 C GLY A 24 33.902 -18.553 -11.500 1.00 1.00 C ATOM 360 O GLY A 24 32.892 -18.984 -12.052 1.00 1.00 O ATOM 0 H GLY A 24 35.792 -16.736 -12.765 1.00 1.00 H new ATOM 0 HA2 GLY A 24 35.155 -18.959 -13.201 1.00 1.00 H new ATOM 0 HA3 GLY A 24 35.832 -19.488 -11.674 1.00 1.00 H new ATOM 364 N GLN A 25 33.878 -17.941 -10.324 1.00 1.00 N ATOM 365 CA GLN A 25 32.617 -17.745 -9.605 1.00 1.00 C ATOM 366 C GLN A 25 31.649 -16.925 -10.455 1.00 1.00 C ATOM 367 O GLN A 25 31.544 -15.707 -10.306 1.00 1.00 O ATOM 368 CB GLN A 25 32.854 -17.038 -8.264 1.00 1.00 C ATOM 369 CG GLN A 25 31.529 -16.895 -7.510 1.00 1.00 C ATOM 370 CD GLN A 25 31.761 -16.214 -6.167 1.00 1.00 C ATOM 371 OE1 GLN A 25 32.891 -16.143 -5.690 1.00 1.00 O ATOM 372 NE2 GLN A 25 30.746 -15.700 -5.528 1.00 1.00 N ATOM 0 H GLN A 25 34.703 -17.574 -9.849 1.00 1.00 H new ATOM 0 HA GLN A 25 32.184 -18.726 -9.408 1.00 1.00 H new ATOM 0 HB2 GLN A 25 33.565 -17.606 -7.664 1.00 1.00 H new ATOM 0 HB3 GLN A 25 33.294 -16.055 -8.434 1.00 1.00 H new ATOM 0 HG2 GLN A 25 30.824 -16.313 -8.104 1.00 1.00 H new ATOM 0 HG3 GLN A 25 31.082 -17.877 -7.356 1.00 1.00 H new ATOM 0 HE21 GLN A 25 29.809 -15.760 -5.926 1.00 1.00 H new ATOM 0 HE22 GLN A 25 30.890 -15.238 -4.630 1.00 1.00 H new ATOM 381 N ASN A 26 30.937 -17.616 -11.338 1.00 1.00 N ATOM 382 CA ASN A 26 29.954 -16.974 -12.224 1.00 1.00 C ATOM 383 C ASN A 26 28.702 -17.840 -12.344 1.00 1.00 C ATOM 384 O ASN A 26 28.208 -18.085 -13.446 1.00 1.00 O ATOM 385 CB ASN A 26 30.558 -16.742 -13.616 1.00 1.00 C ATOM 386 CG ASN A 26 29.553 -16.006 -14.493 1.00 1.00 C ATOM 387 OD1 ASN A 26 29.193 -16.487 -15.566 1.00 1.00 O ATOM 388 ND2 ASN A 26 29.073 -14.860 -14.095 1.00 1.00 N ATOM 0 H ASN A 26 31.018 -18.625 -11.465 1.00 1.00 H new ATOM 0 HA ASN A 26 29.681 -16.011 -11.791 1.00 1.00 H new ATOM 0 HB2 ASN A 26 31.477 -16.162 -13.533 1.00 1.00 H new ATOM 0 HB3 ASN A 26 30.824 -17.696 -14.072 1.00 1.00 H new ATOM 0 HD21 ASN A 26 28.398 -14.361 -14.674 1.00 1.00 H new ATOM 0 HD22 ASN A 26 29.373 -14.463 -13.205 1.00 1.00 H new ATOM 395 N LYS A 27 28.205 -18.304 -11.201 1.00 1.00 N ATOM 396 CA LYS A 27 27.015 -19.153 -11.177 1.00 1.00 C ATOM 397 C LYS A 27 25.787 -18.378 -11.685 1.00 1.00 C ATOM 398 O LYS A 27 25.007 -18.928 -12.452 1.00 1.00 O ATOM 399 CB LYS A 27 26.763 -19.730 -9.750 1.00 1.00 C ATOM 400 CG LYS A 27 27.968 -19.441 -8.835 1.00 1.00 C ATOM 401 CD LYS A 27 28.033 -17.930 -8.463 1.00 1.00 C ATOM 402 CE LYS A 27 27.810 -17.732 -6.960 1.00 1.00 C ATOM 403 NZ LYS A 27 29.009 -18.197 -6.206 1.00 1.00 N ATOM 0 H LYS A 27 28.604 -18.109 -10.283 1.00 1.00 H new ATOM 0 HA LYS A 27 27.187 -19.995 -11.847 1.00 1.00 H new ATOM 0 HB2 LYS A 27 25.862 -19.288 -9.326 1.00 1.00 H new ATOM 0 HB3 LYS A 27 26.593 -20.805 -9.810 1.00 1.00 H new ATOM 0 HG2 LYS A 27 27.893 -20.040 -7.928 1.00 1.00 H new ATOM 0 HG3 LYS A 27 28.890 -19.736 -9.336 1.00 1.00 H new ATOM 0 HD2 LYS A 27 29.002 -17.521 -8.749 1.00 1.00 H new ATOM 0 HD3 LYS A 27 27.277 -17.380 -9.023 1.00 1.00 H new ATOM 0 HE2 LYS A 27 27.620 -16.680 -6.747 1.00 1.00 H new ATOM 0 HE3 LYS A 27 26.929 -18.287 -6.638 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 29.193 -17.550 -5.413 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 28.838 -19.155 -5.838 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 29.833 -18.212 -6.840 1.00 1.00 H new ATOM 417 N GLU A 28 25.657 -17.106 -11.252 1.00 1.00 N ATOM 418 CA GLU A 28 24.554 -16.204 -11.639 1.00 1.00 C ATOM 419 C GLU A 28 24.088 -15.437 -10.420 1.00 1.00 C ATOM 420 O GLU A 28 22.934 -15.013 -10.330 1.00 1.00 O ATOM 421 CB GLU A 28 23.360 -16.950 -12.271 1.00 1.00 C ATOM 422 CG GLU A 28 23.638 -17.193 -13.775 1.00 1.00 C ATOM 423 CD GLU A 28 22.999 -18.500 -14.238 1.00 1.00 C ATOM 424 OE1 GLU A 28 22.203 -19.052 -13.494 1.00 1.00 O ATOM 425 OE2 GLU A 28 23.314 -18.929 -15.334 1.00 1.00 O ATOM 0 H GLU A 28 26.325 -16.672 -10.615 1.00 1.00 H new ATOM 0 HA GLU A 28 24.940 -15.525 -12.399 1.00 1.00 H new ATOM 0 HB2 GLU A 28 23.201 -17.901 -11.762 1.00 1.00 H new ATOM 0 HB3 GLU A 28 22.447 -16.366 -12.149 1.00 1.00 H new ATOM 0 HG2 GLU A 28 23.245 -16.363 -14.361 1.00 1.00 H new ATOM 0 HG3 GLU A 28 24.713 -17.226 -13.950 1.00 1.00 H new ATOM 432 N ARG A 29 24.998 -15.250 -9.484 1.00 1.00 N ATOM 433 CA ARG A 29 24.667 -14.519 -8.285 1.00 1.00 C ATOM 434 C ARG A 29 25.917 -14.055 -7.557 1.00 1.00 C ATOM 435 O ARG A 29 26.189 -14.509 -6.466 1.00 1.00 O ATOM 436 CB ARG A 29 23.792 -15.364 -7.345 1.00 1.00 C ATOM 437 CG ARG A 29 24.392 -16.757 -7.153 1.00 1.00 C ATOM 438 CD ARG A 29 23.415 -17.629 -6.352 1.00 1.00 C ATOM 439 NE ARG A 29 22.277 -18.025 -7.183 1.00 1.00 N ATOM 440 CZ ARG A 29 21.122 -17.358 -7.166 1.00 1.00 C ATOM 441 NH1 ARG A 29 20.969 -16.317 -6.391 1.00 1.00 N ATOM 442 NH2 ARG A 29 20.140 -17.749 -7.932 1.00 1.00 N ATOM 0 H ARG A 29 25.958 -15.590 -9.532 1.00 1.00 H new ATOM 0 HA ARG A 29 24.101 -13.639 -8.589 1.00 1.00 H new ATOM 0 HB2 ARG A 29 23.701 -14.866 -6.380 1.00 1.00 H new ATOM 0 HB3 ARG A 29 22.786 -15.450 -7.756 1.00 1.00 H new ATOM 0 HG2 ARG A 29 24.594 -17.214 -8.122 1.00 1.00 H new ATOM 0 HG3 ARG A 29 25.345 -16.685 -6.629 1.00 1.00 H new ATOM 0 HD2 ARG A 29 23.929 -18.517 -5.984 1.00 1.00 H new ATOM 0 HD3 ARG A 29 23.061 -17.080 -5.479 1.00 1.00 H new ATOM 0 HE ARG A 29 22.370 -18.836 -7.794 1.00 1.00 H new ATOM 0 HH11 ARG A 29 21.736 -16.009 -5.793 1.00 1.00 H new ATOM 0 HH12 ARG A 29 20.083 -15.812 -6.384 1.00 1.00 H new ATOM 0 HH21 ARG A 29 20.258 -18.560 -8.539 1.00 1.00 H new ATOM 0 HH22 ARG A 29 19.254 -17.243 -7.924 1.00 1.00 H new ATOM 456 N PRO A 30 26.660 -13.134 -8.147 1.00 1.00 N ATOM 457 CA PRO A 30 27.871 -12.546 -7.501 1.00 1.00 C ATOM 458 C PRO A 30 27.565 -11.615 -6.282 1.00 1.00 C ATOM 459 O PRO A 30 28.393 -11.535 -5.380 1.00 1.00 O ATOM 460 CB PRO A 30 28.599 -11.787 -8.639 1.00 1.00 C ATOM 461 CG PRO A 30 27.608 -11.635 -9.766 1.00 1.00 C ATOM 462 CD PRO A 30 26.446 -12.618 -9.517 1.00 1.00 C ATOM 0 HA PRO A 30 28.482 -13.333 -7.060 1.00 1.00 H new ATOM 0 HB2 PRO A 30 28.945 -10.812 -8.294 1.00 1.00 H new ATOM 0 HB3 PRO A 30 29.479 -12.338 -8.970 1.00 1.00 H new ATOM 0 HG2 PRO A 30 27.237 -10.611 -9.812 1.00 1.00 H new ATOM 0 HG3 PRO A 30 28.085 -11.844 -10.723 1.00 1.00 H new ATOM 0 HD2 PRO A 30 25.482 -12.117 -9.603 1.00 1.00 H new ATOM 0 HD3 PRO A 30 26.451 -13.427 -10.248 1.00 1.00 H new ATOM 470 N PRO A 31 26.434 -10.904 -6.204 1.00 1.00 N ATOM 471 CA PRO A 31 26.157 -10.004 -5.030 1.00 1.00 C ATOM 472 C PRO A 31 26.476 -10.609 -3.645 1.00 1.00 C ATOM 473 O PRO A 31 26.979 -9.898 -2.774 1.00 1.00 O ATOM 474 CB PRO A 31 24.662 -9.659 -5.131 1.00 1.00 C ATOM 475 CG PRO A 31 24.257 -9.926 -6.552 1.00 1.00 C ATOM 476 CD PRO A 31 25.326 -10.848 -7.189 1.00 1.00 C ATOM 0 HA PRO A 31 26.816 -9.137 -5.088 1.00 1.00 H new ATOM 0 HB2 PRO A 31 24.076 -10.266 -4.440 1.00 1.00 H new ATOM 0 HB3 PRO A 31 24.486 -8.616 -4.867 1.00 1.00 H new ATOM 0 HG2 PRO A 31 23.276 -10.400 -6.586 1.00 1.00 H new ATOM 0 HG3 PRO A 31 24.179 -8.992 -7.108 1.00 1.00 H new ATOM 0 HD2 PRO A 31 24.922 -11.842 -7.384 1.00 1.00 H new ATOM 0 HD3 PRO A 31 25.669 -10.451 -8.144 1.00 1.00 H new ATOM 484 N PRO A 32 26.192 -11.866 -3.403 1.00 1.00 N ATOM 485 CA PRO A 32 26.457 -12.504 -2.078 1.00 1.00 C ATOM 486 C PRO A 32 27.950 -12.578 -1.807 1.00 1.00 C ATOM 487 O PRO A 32 28.742 -12.774 -2.729 1.00 1.00 O ATOM 488 CB PRO A 32 25.823 -13.911 -2.209 1.00 1.00 C ATOM 489 CG PRO A 32 24.914 -13.800 -3.387 1.00 1.00 C ATOM 490 CD PRO A 32 25.622 -12.835 -4.323 1.00 1.00 C ATOM 0 HA PRO A 32 26.039 -11.944 -1.241 1.00 1.00 H new ATOM 0 HB2 PRO A 32 26.583 -14.677 -2.364 1.00 1.00 H new ATOM 0 HB3 PRO A 32 25.274 -14.185 -1.308 1.00 1.00 H new ATOM 0 HG2 PRO A 32 24.757 -14.769 -3.860 1.00 1.00 H new ATOM 0 HG3 PRO A 32 23.933 -13.424 -3.097 1.00 1.00 H new ATOM 0 HD2 PRO A 32 26.390 -13.333 -4.915 1.00 1.00 H new ATOM 0 HD3 PRO A 32 24.930 -12.370 -5.025 1.00 1.00 H new ATOM 498 N VAL A 33 28.332 -12.415 -0.546 1.00 1.00 N ATOM 499 CA VAL A 33 29.743 -12.464 -0.164 1.00 1.00 C ATOM 500 C VAL A 33 29.963 -13.547 0.903 1.00 1.00 C ATOM 501 O VAL A 33 29.238 -13.579 1.897 1.00 1.00 O ATOM 502 CB VAL A 33 30.184 -11.110 0.389 1.00 1.00 C ATOM 503 CG1 VAL A 33 29.496 -10.843 1.730 1.00 1.00 C ATOM 504 CG2 VAL A 33 31.703 -11.122 0.580 1.00 1.00 C ATOM 0 H VAL A 33 27.690 -12.248 0.228 1.00 1.00 H new ATOM 0 HA VAL A 33 30.335 -12.703 -1.048 1.00 1.00 H new ATOM 0 HB VAL A 33 29.906 -10.322 -0.311 1.00 1.00 H new ATOM 0 HG11 VAL A 33 29.816 -9.876 2.117 1.00 1.00 H new ATOM 0 HG12 VAL A 33 28.415 -10.838 1.590 1.00 1.00 H new ATOM 0 HG13 VAL A 33 29.766 -11.625 2.440 1.00 1.00 H new ATOM 0 HG21 VAL A 33 32.028 -10.159 0.975 1.00 1.00 H new ATOM 0 HG22 VAL A 33 31.975 -11.912 1.280 1.00 1.00 H new ATOM 0 HG23 VAL A 33 32.189 -11.304 -0.379 1.00 1.00 H new ATOM 514 N PRO A 34 30.939 -14.425 0.749 1.00 1.00 N ATOM 515 CA PRO A 34 31.206 -15.483 1.772 1.00 1.00 C ATOM 516 C PRO A 34 31.378 -14.916 3.189 1.00 1.00 C ATOM 517 O PRO A 34 31.902 -13.815 3.372 1.00 1.00 O ATOM 518 CB PRO A 34 32.520 -16.139 1.302 1.00 1.00 C ATOM 519 CG PRO A 34 32.646 -15.820 -0.154 1.00 1.00 C ATOM 520 CD PRO A 34 31.866 -14.527 -0.401 1.00 1.00 C ATOM 0 HA PRO A 34 30.369 -16.177 1.843 1.00 1.00 H new ATOM 0 HB2 PRO A 34 33.371 -15.750 1.861 1.00 1.00 H new ATOM 0 HB3 PRO A 34 32.497 -17.217 1.464 1.00 1.00 H new ATOM 0 HG2 PRO A 34 33.693 -15.697 -0.432 1.00 1.00 H new ATOM 0 HG3 PRO A 34 32.248 -16.632 -0.762 1.00 1.00 H new ATOM 0 HD2 PRO A 34 32.532 -13.666 -0.451 1.00 1.00 H new ATOM 0 HD3 PRO A 34 31.323 -14.566 -1.346 1.00 1.00 H new ATOM 528 N ASN A 35 30.950 -15.693 4.188 1.00 1.00 N ATOM 529 CA ASN A 35 31.081 -15.282 5.588 1.00 1.00 C ATOM 530 C ASN A 35 32.454 -15.687 6.158 1.00 1.00 C ATOM 531 O ASN A 35 33.001 -14.978 7.004 1.00 1.00 O ATOM 532 CB ASN A 35 29.960 -15.904 6.444 1.00 1.00 C ATOM 533 CG ASN A 35 28.679 -15.077 6.348 1.00 1.00 C ATOM 534 OD1 ASN A 35 28.316 -14.566 5.202 1.00 1.00 O flip ATOM 535 ND2 ASN A 35 27.987 -14.892 7.349 1.00 1.00 N flip ATOM 0 H ASN A 35 30.512 -16.605 4.054 1.00 1.00 H new ATOM 0 HA ASN A 35 30.996 -14.196 5.623 1.00 1.00 H new ATOM 0 HB2 ASN A 35 29.765 -16.923 6.111 1.00 1.00 H new ATOM 0 HB3 ASN A 35 30.282 -15.964 7.484 1.00 1.00 H new ATOM 0 HD21 ASN A 35 28.269 -15.290 8.245 1.00 1.00 H new ATOM 0 HD22 ASN A 35 27.132 -14.340 7.283 1.00 1.00 H new ATOM 542 N PRO A 36 33.026 -16.795 5.729 1.00 1.00 N ATOM 543 CA PRO A 36 34.358 -17.254 6.235 1.00 1.00 C ATOM 544 C PRO A 36 35.437 -16.184 6.072 1.00 1.00 C ATOM 545 O PRO A 36 36.541 -16.317 6.601 1.00 1.00 O ATOM 546 CB PRO A 36 34.671 -18.502 5.390 1.00 1.00 C ATOM 547 CG PRO A 36 33.340 -18.989 4.918 1.00 1.00 C ATOM 548 CD PRO A 36 32.483 -17.736 4.734 1.00 1.00 C ATOM 0 HA PRO A 36 34.337 -17.465 7.304 1.00 1.00 H new ATOM 0 HB2 PRO A 36 35.323 -18.258 4.551 1.00 1.00 H new ATOM 0 HB3 PRO A 36 35.183 -19.261 5.981 1.00 1.00 H new ATOM 0 HG2 PRO A 36 33.434 -19.540 3.982 1.00 1.00 H new ATOM 0 HG3 PRO A 36 32.891 -19.667 5.644 1.00 1.00 H new ATOM 0 HD2 PRO A 36 32.564 -17.340 3.722 1.00 1.00 H new ATOM 0 HD3 PRO A 36 31.428 -17.943 4.912 1.00 1.00 H new ATOM 556 N ASP A 37 35.111 -15.129 5.337 1.00 1.00 N ATOM 557 CA ASP A 37 36.060 -14.047 5.115 1.00 1.00 C ATOM 558 C ASP A 37 36.148 -13.148 6.345 1.00 1.00 C ATOM 559 O ASP A 37 36.923 -12.192 6.368 1.00 1.00 O ATOM 560 CB ASP A 37 35.636 -13.212 3.903 1.00 1.00 C ATOM 561 CG ASP A 37 34.210 -12.704 4.091 1.00 1.00 C ATOM 562 OD1 ASP A 37 33.545 -13.185 4.992 1.00 1.00 O ATOM 563 OD2 ASP A 37 33.806 -11.838 3.331 1.00 1.00 O ATOM 0 H ASP A 37 34.204 -15.000 4.888 1.00 1.00 H new ATOM 0 HA ASP A 37 37.039 -14.487 4.927 1.00 1.00 H new ATOM 0 HB2 ASP A 37 36.317 -12.370 3.775 1.00 1.00 H new ATOM 0 HB3 ASP A 37 35.700 -13.814 2.996 1.00 1.00 H new ATOM 568 N TYR A 38 35.347 -13.456 7.368 1.00 1.00 N ATOM 569 CA TYR A 38 35.347 -12.657 8.600 1.00 1.00 C ATOM 570 C TYR A 38 36.258 -13.283 9.652 1.00 1.00 C ATOM 571 O TYR A 38 36.189 -12.928 10.830 1.00 1.00 O ATOM 572 CB TYR A 38 33.927 -12.551 9.172 1.00 1.00 C ATOM 573 CG TYR A 38 33.845 -11.376 10.123 1.00 1.00 C ATOM 574 CD1 TYR A 38 33.682 -10.079 9.619 1.00 1.00 C ATOM 575 CD2 TYR A 38 33.936 -11.584 11.505 1.00 1.00 C ATOM 576 CE1 TYR A 38 33.609 -8.991 10.497 1.00 1.00 C ATOM 577 CE2 TYR A 38 33.864 -10.496 12.383 1.00 1.00 C ATOM 578 CZ TYR A 38 33.701 -9.199 11.879 1.00 1.00 C ATOM 579 OH TYR A 38 33.631 -8.127 12.743 1.00 1.00 O ATOM 0 H TYR A 38 34.697 -14.242 7.371 1.00 1.00 H new ATOM 0 HA TYR A 38 35.716 -11.662 8.349 1.00 1.00 H new ATOM 0 HB2 TYR A 38 33.207 -12.427 8.363 1.00 1.00 H new ATOM 0 HB3 TYR A 38 33.665 -13.472 9.693 1.00 1.00 H new ATOM 0 HD1 TYR A 38 33.613 -9.919 8.553 1.00 1.00 H new ATOM 0 HD2 TYR A 38 34.062 -12.584 11.893 1.00 1.00 H new ATOM 0 HE1 TYR A 38 33.482 -7.991 10.109 1.00 1.00 H new ATOM 0 HE2 TYR A 38 33.934 -10.656 13.449 1.00 1.00 H new ATOM 0 HH TYR A 38 33.710 -8.445 13.666 1.00 1.00 H new ATOM 589 N GLU A 39 37.115 -14.212 9.223 1.00 1.00 N ATOM 590 CA GLU A 39 38.045 -14.879 10.141 1.00 1.00 C ATOM 591 C GLU A 39 39.501 -14.732 9.667 1.00 1.00 C ATOM 592 O GLU A 39 40.281 -15.683 9.752 1.00 1.00 O ATOM 593 CB GLU A 39 37.679 -16.364 10.255 1.00 1.00 C ATOM 594 CG GLU A 39 36.293 -16.494 10.894 1.00 1.00 C ATOM 595 CD GLU A 39 36.378 -16.201 12.388 1.00 1.00 C ATOM 596 OE1 GLU A 39 37.164 -16.851 13.056 1.00 1.00 O ATOM 597 OE2 GLU A 39 35.654 -15.329 12.843 1.00 1.00 O ATOM 0 H GLU A 39 37.186 -14.519 8.253 1.00 1.00 H new ATOM 0 HA GLU A 39 37.961 -14.404 11.118 1.00 1.00 H new ATOM 0 HB2 GLU A 39 37.683 -16.828 9.269 1.00 1.00 H new ATOM 0 HB3 GLU A 39 38.421 -16.888 10.857 1.00 1.00 H new ATOM 0 HG2 GLU A 39 35.598 -15.802 10.418 1.00 1.00 H new ATOM 0 HG3 GLU A 39 35.902 -17.499 10.734 1.00 1.00 H new ATOM 604 N PRO A 40 39.887 -13.567 9.184 1.00 1.00 N ATOM 605 CA PRO A 40 41.286 -13.309 8.706 1.00 1.00 C ATOM 606 C PRO A 40 42.289 -13.253 9.858 1.00 1.00 C ATOM 607 O PRO A 40 43.310 -12.572 9.776 1.00 1.00 O ATOM 608 CB PRO A 40 41.182 -11.944 8.006 1.00 1.00 C ATOM 609 CG PRO A 40 40.024 -11.262 8.657 1.00 1.00 C ATOM 610 CD PRO A 40 39.037 -12.369 9.032 1.00 1.00 C ATOM 0 HA PRO A 40 41.649 -14.104 8.054 1.00 1.00 H new ATOM 0 HB2 PRO A 40 42.099 -11.367 8.128 1.00 1.00 H new ATOM 0 HB3 PRO A 40 41.019 -12.061 6.935 1.00 1.00 H new ATOM 0 HG2 PRO A 40 40.344 -10.709 9.540 1.00 1.00 H new ATOM 0 HG3 PRO A 40 39.564 -10.543 7.980 1.00 1.00 H new ATOM 0 HD2 PRO A 40 38.507 -12.136 9.955 1.00 1.00 H new ATOM 0 HD3 PRO A 40 38.282 -12.510 8.258 1.00 1.00 H new ATOM 618 N ILE A 41 41.970 -13.951 10.938 1.00 1.00 N ATOM 619 CA ILE A 41 42.814 -13.968 12.123 1.00 1.00 C ATOM 620 C ILE A 41 42.756 -15.340 12.809 1.00 1.00 C ATOM 621 O ILE A 41 42.707 -15.435 14.037 1.00 1.00 O ATOM 622 CB ILE A 41 42.362 -12.847 13.093 1.00 1.00 C ATOM 623 CG1 ILE A 41 40.890 -12.460 12.843 1.00 1.00 C ATOM 624 CG2 ILE A 41 43.234 -11.601 12.900 1.00 1.00 C ATOM 625 CD1 ILE A 41 39.962 -13.653 13.116 1.00 1.00 C ATOM 0 H ILE A 41 41.125 -14.517 11.018 1.00 1.00 H new ATOM 0 HA ILE A 41 43.848 -13.787 11.829 1.00 1.00 H new ATOM 0 HB ILE A 41 42.466 -13.226 14.110 1.00 1.00 H new ATOM 0 HG12 ILE A 41 40.614 -11.624 13.486 1.00 1.00 H new ATOM 0 HG13 ILE A 41 40.767 -12.125 11.813 1.00 1.00 H new ATOM 0 HG21 ILE A 41 42.908 -10.819 13.586 1.00 1.00 H new ATOM 0 HG22 ILE A 41 44.275 -11.851 13.103 1.00 1.00 H new ATOM 0 HG23 ILE A 41 43.139 -11.246 11.874 1.00 1.00 H new ATOM 0 HD11 ILE A 41 38.928 -13.359 12.934 1.00 1.00 H new ATOM 0 HD12 ILE A 41 40.226 -14.478 12.455 1.00 1.00 H new ATOM 0 HD13 ILE A 41 40.072 -13.969 14.153 1.00 1.00 H new ATOM 637 N ARG A 42 42.769 -16.402 12.010 1.00 1.00 N ATOM 638 CA ARG A 42 42.726 -17.769 12.555 1.00 1.00 C ATOM 639 C ARG A 42 44.017 -18.522 12.237 1.00 1.00 C ATOM 640 O ARG A 42 43.996 -19.489 11.483 1.00 1.00 O ATOM 641 CB ARG A 42 41.538 -18.537 11.961 1.00 1.00 C ATOM 642 CG ARG A 42 41.327 -19.857 12.725 1.00 1.00 C ATOM 643 CD ARG A 42 40.869 -19.582 14.168 1.00 1.00 C ATOM 644 NE ARG A 42 40.070 -20.695 14.661 1.00 1.00 N ATOM 645 CZ ARG A 42 39.837 -20.842 15.961 1.00 1.00 C ATOM 646 NH1 ARG A 42 40.323 -19.979 16.813 1.00 1.00 N ATOM 647 NH2 ARG A 42 39.126 -21.848 16.387 1.00 1.00 N ATOM 0 H ARG A 42 42.808 -16.352 10.992 1.00 1.00 H new ATOM 0 HA ARG A 42 42.614 -17.696 13.637 1.00 1.00 H new ATOM 0 HB2 ARG A 42 40.636 -17.927 12.017 1.00 1.00 H new ATOM 0 HB3 ARG A 42 41.719 -18.743 10.906 1.00 1.00 H new ATOM 0 HG2 ARG A 42 40.583 -20.465 12.211 1.00 1.00 H new ATOM 0 HG3 ARG A 42 42.254 -20.429 12.735 1.00 1.00 H new ATOM 0 HD2 ARG A 42 41.737 -19.434 14.811 1.00 1.00 H new ATOM 0 HD3 ARG A 42 40.286 -18.662 14.203 1.00 1.00 H new ATOM 0 HE ARG A 42 39.684 -21.370 14.001 1.00 1.00 H new ATOM 0 HH11 ARG A 42 40.881 -19.193 16.480 1.00 1.00 H new ATOM 0 HH12 ARG A 42 40.144 -20.092 17.811 1.00 1.00 H new ATOM 0 HH21 ARG A 42 38.748 -22.523 15.722 1.00 1.00 H new ATOM 0 HH22 ARG A 42 38.948 -21.960 17.385 1.00 1.00 H new ATOM 661 N LYS A 43 45.137 -18.073 12.817 1.00 1.00 N ATOM 662 CA LYS A 43 46.431 -18.718 12.594 1.00 1.00 C ATOM 663 C LYS A 43 47.559 -17.863 13.211 1.00 1.00 C ATOM 664 O LYS A 43 47.441 -16.643 13.297 1.00 1.00 O ATOM 665 CB LYS A 43 46.665 -18.928 11.069 1.00 1.00 C ATOM 666 CG LYS A 43 46.623 -20.425 10.704 1.00 1.00 C ATOM 667 CD LYS A 43 47.928 -21.100 11.133 1.00 1.00 C ATOM 668 CE LYS A 43 47.872 -22.594 10.819 1.00 1.00 C ATOM 669 NZ LYS A 43 49.154 -23.232 11.235 1.00 1.00 N ATOM 0 H LYS A 43 45.170 -17.268 13.442 1.00 1.00 H new ATOM 0 HA LYS A 43 46.435 -19.694 13.079 1.00 1.00 H new ATOM 0 HB2 LYS A 43 45.904 -18.391 10.503 1.00 1.00 H new ATOM 0 HB3 LYS A 43 47.630 -18.508 10.784 1.00 1.00 H new ATOM 0 HG2 LYS A 43 45.776 -20.905 11.195 1.00 1.00 H new ATOM 0 HG3 LYS A 43 46.478 -20.543 9.630 1.00 1.00 H new ATOM 0 HD2 LYS A 43 48.771 -20.643 10.615 1.00 1.00 H new ATOM 0 HD3 LYS A 43 48.091 -20.950 12.200 1.00 1.00 H new ATOM 0 HE2 LYS A 43 47.035 -23.057 11.343 1.00 1.00 H new ATOM 0 HE3 LYS A 43 47.705 -22.748 9.753 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 49.120 -24.250 11.023 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 49.943 -22.796 10.716 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 49.294 -23.096 12.256 1.00 1.00 H new ATOM 683 N GLY A 44 48.642 -18.516 13.641 1.00 1.00 N ATOM 684 CA GLY A 44 49.776 -17.808 14.255 1.00 1.00 C ATOM 685 C GLY A 44 50.437 -16.838 13.279 1.00 1.00 C ATOM 686 O GLY A 44 50.232 -15.628 13.359 1.00 1.00 O ATOM 0 H GLY A 44 48.760 -19.527 13.577 1.00 1.00 H new ATOM 0 HA2 GLY A 44 49.431 -17.261 15.132 1.00 1.00 H new ATOM 0 HA3 GLY A 44 50.513 -18.533 14.601 1.00 1.00 H new ATOM 690 N GLN A 45 51.236 -17.383 12.366 1.00 1.00 N ATOM 691 CA GLN A 45 51.938 -16.557 11.375 1.00 1.00 C ATOM 692 C GLN A 45 52.910 -15.610 12.067 1.00 1.00 C ATOM 693 O GLN A 45 52.677 -14.405 12.149 1.00 1.00 O ATOM 694 CB GLN A 45 50.913 -15.755 10.571 1.00 1.00 C ATOM 695 CG GLN A 45 51.536 -15.254 9.268 1.00 1.00 C ATOM 696 CD GLN A 45 50.679 -14.140 8.672 1.00 1.00 C ATOM 697 OE1 GLN A 45 50.161 -13.236 9.461 1.00 1.00 O flip ATOM 698 NE2 GLN A 45 50.477 -14.090 7.459 1.00 1.00 N flip ATOM 0 H GLN A 45 51.416 -18.384 12.288 1.00 1.00 H new ATOM 0 HA GLN A 45 52.504 -17.205 10.705 1.00 1.00 H new ATOM 0 HB2 GLN A 45 50.045 -16.377 10.352 1.00 1.00 H new ATOM 0 HB3 GLN A 45 50.558 -14.910 11.161 1.00 1.00 H new ATOM 0 HG2 GLN A 45 52.545 -14.887 9.456 1.00 1.00 H new ATOM 0 HG3 GLN A 45 51.623 -16.076 8.558 1.00 1.00 H new ATOM 0 HE21 GLN A 45 50.882 -14.797 6.845 1.00 1.00 H new ATOM 0 HE22 GLN A 45 49.904 -13.342 7.068 1.00 1.00 H new ATOM 707 N ARG A 46 54.003 -16.176 12.559 1.00 1.00 N ATOM 708 CA ARG A 46 55.026 -15.398 13.247 1.00 1.00 C ATOM 709 C ARG A 46 56.379 -16.104 13.162 1.00 1.00 C ATOM 710 O ARG A 46 57.420 -15.509 13.439 1.00 1.00 O ATOM 711 CB ARG A 46 54.628 -15.192 14.712 1.00 1.00 C ATOM 712 CG ARG A 46 54.023 -16.484 15.268 1.00 1.00 C ATOM 713 CD ARG A 46 53.668 -16.283 16.741 1.00 1.00 C ATOM 714 NE ARG A 46 53.083 -17.499 17.293 1.00 1.00 N ATOM 715 CZ ARG A 46 52.416 -17.479 18.441 1.00 1.00 C ATOM 716 NH1 ARG A 46 52.271 -16.358 19.094 1.00 1.00 N ATOM 717 NH2 ARG A 46 51.903 -18.581 18.919 1.00 1.00 N ATOM 0 H ARG A 46 54.205 -17.174 12.495 1.00 1.00 H new ATOM 0 HA ARG A 46 55.112 -14.425 12.763 1.00 1.00 H new ATOM 0 HB2 ARG A 46 55.500 -14.905 15.299 1.00 1.00 H new ATOM 0 HB3 ARG A 46 53.908 -14.378 14.792 1.00 1.00 H new ATOM 0 HG2 ARG A 46 53.132 -16.755 14.701 1.00 1.00 H new ATOM 0 HG3 ARG A 46 54.731 -17.306 15.162 1.00 1.00 H new ATOM 0 HD2 ARG A 46 54.562 -16.014 17.304 1.00 1.00 H new ATOM 0 HD3 ARG A 46 52.966 -15.455 16.843 1.00 1.00 H new ATOM 0 HE ARG A 46 53.188 -18.380 16.789 1.00 1.00 H new ATOM 0 HH11 ARG A 46 52.670 -15.496 18.722 1.00 1.00 H new ATOM 0 HH12 ARG A 46 51.758 -16.344 19.976 1.00 1.00 H new ATOM 0 HH21 ARG A 46 52.015 -19.458 18.410 1.00 1.00 H new ATOM 0 HH22 ARG A 46 51.391 -18.565 19.801 1.00 1.00 H new ATOM 731 N ASP A 47 56.354 -17.373 12.767 1.00 1.00 N ATOM 732 CA ASP A 47 57.579 -18.147 12.636 1.00 1.00 C ATOM 733 C ASP A 47 58.359 -17.682 11.420 1.00 1.00 C ATOM 734 O ASP A 47 59.469 -18.151 11.168 1.00 1.00 O ATOM 735 CB ASP A 47 57.257 -19.631 12.477 1.00 1.00 C ATOM 736 CG ASP A 47 56.299 -19.824 11.307 1.00 1.00 C ATOM 737 OD1 ASP A 47 56.077 -18.866 10.585 1.00 1.00 O ATOM 738 OD2 ASP A 47 55.797 -20.926 11.153 1.00 1.00 O ATOM 0 H ASP A 47 55.502 -17.883 12.534 1.00 1.00 H new ATOM 0 HA ASP A 47 58.174 -17.999 13.537 1.00 1.00 H new ATOM 0 HB2 ASP A 47 58.173 -20.196 12.307 1.00 1.00 H new ATOM 0 HB3 ASP A 47 56.810 -20.017 13.393 1.00 1.00 H new ATOM 743 N LEU A 48 57.773 -16.760 10.668 1.00 1.00 N ATOM 744 CA LEU A 48 58.444 -16.255 9.471 1.00 1.00 C ATOM 745 C LEU A 48 59.850 -15.761 9.852 1.00 1.00 C ATOM 746 O LEU A 48 60.781 -15.806 9.049 1.00 1.00 O ATOM 747 CB LEU A 48 57.625 -15.105 8.834 1.00 1.00 C ATOM 748 CG LEU A 48 57.795 -15.097 7.304 1.00 1.00 C ATOM 749 CD1 LEU A 48 57.030 -13.910 6.720 1.00 1.00 C ATOM 750 CD2 LEU A 48 59.278 -14.980 6.929 1.00 1.00 C ATOM 0 H LEU A 48 56.857 -16.353 10.856 1.00 1.00 H new ATOM 0 HA LEU A 48 58.526 -17.058 8.739 1.00 1.00 H new ATOM 0 HB2 LEU A 48 56.571 -15.219 9.087 1.00 1.00 H new ATOM 0 HB3 LEU A 48 57.950 -14.149 9.246 1.00 1.00 H new ATOM 0 HG LEU A 48 57.403 -16.030 6.900 1.00 1.00 H new ATOM 0 HD11 LEU A 48 57.147 -13.899 5.636 1.00 1.00 H new ATOM 0 HD12 LEU A 48 55.973 -14.000 6.970 1.00 1.00 H new ATOM 0 HD13 LEU A 48 57.424 -12.983 7.137 1.00 1.00 H new ATOM 0 HD21 LEU A 48 59.380 -14.976 5.844 1.00 1.00 H new ATOM 0 HD22 LEU A 48 59.684 -14.053 7.335 1.00 1.00 H new ATOM 0 HD23 LEU A 48 59.826 -15.827 7.341 1.00 1.00 H new ATOM 762 N TYR A 49 59.993 -15.302 11.092 1.00 1.00 N ATOM 763 CA TYR A 49 61.288 -14.803 11.571 1.00 1.00 C ATOM 764 C TYR A 49 62.360 -15.895 11.484 1.00 1.00 C ATOM 765 O TYR A 49 63.523 -15.610 11.202 1.00 1.00 O ATOM 766 CB TYR A 49 61.177 -14.289 13.020 1.00 1.00 C ATOM 767 CG TYR A 49 62.492 -13.679 13.453 1.00 1.00 C ATOM 768 CD1 TYR A 49 63.494 -14.488 14.004 1.00 1.00 C ATOM 769 CD2 TYR A 49 62.709 -12.303 13.306 1.00 1.00 C ATOM 770 CE1 TYR A 49 64.708 -13.922 14.410 1.00 1.00 C ATOM 771 CE2 TYR A 49 63.924 -11.736 13.713 1.00 1.00 C ATOM 772 CZ TYR A 49 64.924 -12.546 14.263 1.00 1.00 C ATOM 773 OH TYR A 49 66.123 -11.989 14.664 1.00 1.00 O ATOM 0 H TYR A 49 59.241 -15.263 11.780 1.00 1.00 H new ATOM 0 HA TYR A 49 61.582 -13.973 10.928 1.00 1.00 H new ATOM 0 HB2 TYR A 49 60.381 -13.548 13.092 1.00 1.00 H new ATOM 0 HB3 TYR A 49 60.910 -15.109 13.686 1.00 1.00 H new ATOM 0 HD1 TYR A 49 63.330 -15.550 14.116 1.00 1.00 H new ATOM 0 HD2 TYR A 49 61.939 -11.678 12.878 1.00 1.00 H new ATOM 0 HE1 TYR A 49 65.479 -14.547 14.837 1.00 1.00 H new ATOM 0 HE2 TYR A 49 64.089 -10.674 13.602 1.00 1.00 H new ATOM 0 HH TYR A 49 66.110 -11.024 14.491 1.00 1.00 H new ATOM 783 N SER A 50 61.973 -17.140 11.746 1.00 1.00 N ATOM 784 CA SER A 50 62.920 -18.256 11.698 1.00 1.00 C ATOM 785 C SER A 50 63.337 -18.577 10.267 1.00 1.00 C ATOM 786 O SER A 50 64.488 -18.918 10.008 1.00 1.00 O ATOM 787 CB SER A 50 62.290 -19.496 12.328 1.00 1.00 C ATOM 788 OG SER A 50 61.104 -19.825 11.618 1.00 1.00 O ATOM 0 H SER A 50 61.019 -17.403 11.992 1.00 1.00 H new ATOM 0 HA SER A 50 63.809 -17.961 12.256 1.00 1.00 H new ATOM 0 HB2 SER A 50 62.990 -20.331 12.298 1.00 1.00 H new ATOM 0 HB3 SER A 50 62.061 -19.310 13.377 1.00 1.00 H new ATOM 0 HG SER A 50 60.400 -19.181 11.841 1.00 1.00 H new ATOM 794 N GLY A 51 62.393 -18.480 9.343 1.00 1.00 N ATOM 795 CA GLY A 51 62.677 -18.778 7.933 1.00 1.00 C ATOM 796 C GLY A 51 63.430 -17.628 7.278 1.00 1.00 C ATOM 797 O GLY A 51 63.728 -17.669 6.084 1.00 1.00 O ATOM 0 H GLY A 51 61.431 -18.201 9.533 1.00 1.00 H new ATOM 0 HA2 GLY A 51 63.266 -19.692 7.861 1.00 1.00 H new ATOM 0 HA3 GLY A 51 61.744 -18.958 7.400 1.00 1.00 H new ATOM 801 N LEU A 52 63.730 -16.606 8.066 1.00 1.00 N ATOM 802 CA LEU A 52 64.450 -15.443 7.546 1.00 1.00 C ATOM 803 C LEU A 52 65.851 -15.859 7.092 1.00 1.00 C ATOM 804 O LEU A 52 66.337 -15.418 6.050 1.00 1.00 O ATOM 805 CB LEU A 52 64.538 -14.328 8.618 1.00 1.00 C ATOM 806 CG LEU A 52 64.603 -12.934 7.960 1.00 1.00 C ATOM 807 CD1 LEU A 52 65.757 -12.869 6.948 1.00 1.00 C ATOM 808 CD2 LEU A 52 63.263 -12.613 7.252 1.00 1.00 C ATOM 0 H LEU A 52 63.492 -16.554 9.056 1.00 1.00 H new ATOM 0 HA LEU A 52 63.903 -15.048 6.690 1.00 1.00 H new ATOM 0 HB2 LEU A 52 63.672 -14.383 9.277 1.00 1.00 H new ATOM 0 HB3 LEU A 52 65.421 -14.483 9.238 1.00 1.00 H new ATOM 0 HG LEU A 52 64.780 -12.194 8.740 1.00 1.00 H new ATOM 0 HD11 LEU A 52 65.787 -11.879 6.494 1.00 1.00 H new ATOM 0 HD12 LEU A 52 66.700 -13.063 7.459 1.00 1.00 H new ATOM 0 HD13 LEU A 52 65.603 -13.619 6.172 1.00 1.00 H new ATOM 0 HD21 LEU A 52 63.322 -11.627 6.792 1.00 1.00 H new ATOM 0 HD22 LEU A 52 63.069 -13.361 6.483 1.00 1.00 H new ATOM 0 HD23 LEU A 52 62.454 -12.625 7.982 1.00 1.00 H new ATOM 820 N ASN A 53 66.494 -16.718 7.878 1.00 1.00 N ATOM 821 CA ASN A 53 67.843 -17.183 7.535 1.00 1.00 C ATOM 822 C ASN A 53 67.769 -18.358 6.572 1.00 1.00 C ATOM 823 O ASN A 53 68.385 -19.399 6.795 1.00 1.00 O ATOM 824 CB ASN A 53 68.619 -17.601 8.793 1.00 1.00 C ATOM 825 CG ASN A 53 67.940 -18.797 9.443 1.00 1.00 C ATOM 826 OD1 ASN A 53 66.707 -19.074 9.130 1.00 1.00 O flip ATOM 827 ND2 ASN A 53 68.549 -19.499 10.250 1.00 1.00 N flip ATOM 0 H ASN A 53 66.115 -17.103 8.743 1.00 1.00 H new ATOM 0 HA ASN A 53 68.369 -16.356 7.058 1.00 1.00 H new ATOM 0 HB2 ASN A 53 69.647 -17.853 8.531 1.00 1.00 H new ATOM 0 HB3 ASN A 53 68.664 -16.770 9.497 1.00 1.00 H new ATOM 0 HD21 ASN A 53 69.515 -19.277 10.492 1.00 1.00 H new ATOM 0 HD22 ASN A 53 68.088 -20.302 10.677 1.00 1.00 H new ATOM 834 N GLN A 54 67.008 -18.176 5.498 1.00 1.00 N ATOM 835 CA GLN A 54 66.853 -19.230 4.498 1.00 1.00 C ATOM 836 C GLN A 54 68.189 -19.523 3.812 1.00 1.00 C ATOM 837 O GLN A 54 68.531 -20.684 3.587 1.00 1.00 O ATOM 838 CB GLN A 54 65.812 -18.816 3.443 1.00 1.00 C ATOM 839 CG GLN A 54 65.980 -17.330 3.117 1.00 1.00 C ATOM 840 CD GLN A 54 65.149 -16.965 1.893 1.00 1.00 C ATOM 841 OE1 GLN A 54 64.840 -17.831 1.074 1.00 1.00 O ATOM 842 NE2 GLN A 54 64.771 -15.729 1.713 1.00 1.00 N ATOM 0 H GLN A 54 66.493 -17.319 5.297 1.00 1.00 H new ATOM 0 HA GLN A 54 66.511 -20.132 5.006 1.00 1.00 H new ATOM 0 HB2 GLN A 54 65.936 -19.414 2.540 1.00 1.00 H new ATOM 0 HB3 GLN A 54 64.805 -19.006 3.815 1.00 1.00 H new ATOM 0 HG2 GLN A 54 65.671 -16.725 3.970 1.00 1.00 H new ATOM 0 HG3 GLN A 54 67.031 -17.107 2.932 1.00 1.00 H new ATOM 0 HE21 GLN A 54 65.028 -15.013 2.393 1.00 1.00 H new ATOM 0 HE22 GLN A 54 64.219 -15.479 0.893 1.00 1.00 H new ATOM 851 N ARG A 55 68.932 -18.465 3.475 1.00 1.00 N ATOM 852 CA ARG A 55 70.226 -18.627 2.799 1.00 1.00 C ATOM 853 C ARG A 55 70.811 -17.273 2.379 1.00 1.00 C ATOM 854 O ARG A 55 70.569 -16.823 1.260 1.00 1.00 O ATOM 855 CB ARG A 55 70.072 -19.502 1.539 1.00 1.00 C ATOM 856 CG ARG A 55 68.775 -19.140 0.793 1.00 1.00 C ATOM 857 CD ARG A 55 68.865 -19.633 -0.651 1.00 1.00 C ATOM 858 NE ARG A 55 69.216 -21.047 -0.673 1.00 1.00 N ATOM 859 CZ ARG A 55 69.462 -21.676 -1.816 1.00 1.00 C ATOM 860 NH1 ARG A 55 69.347 -21.040 -2.951 1.00 1.00 N ATOM 861 NH2 ARG A 55 69.816 -22.932 -1.804 1.00 1.00 N ATOM 0 H ARG A 55 68.666 -17.497 3.656 1.00 1.00 H new ATOM 0 HA ARG A 55 70.900 -19.106 3.509 1.00 1.00 H new ATOM 0 HB2 ARG A 55 70.930 -19.359 0.882 1.00 1.00 H new ATOM 0 HB3 ARG A 55 70.057 -20.555 1.819 1.00 1.00 H new ATOM 0 HG2 ARG A 55 67.918 -19.593 1.291 1.00 1.00 H new ATOM 0 HG3 ARG A 55 68.621 -18.061 0.812 1.00 1.00 H new ATOM 0 HD2 ARG A 55 67.912 -19.478 -1.157 1.00 1.00 H new ATOM 0 HD3 ARG A 55 69.612 -19.056 -1.195 1.00 1.00 H new ATOM 0 HE ARG A 55 69.274 -21.563 0.205 1.00 1.00 H new ATOM 0 HH11 ARG A 55 69.068 -20.059 -2.960 1.00 1.00 H new ATOM 0 HH12 ARG A 55 69.536 -21.524 -3.828 1.00 1.00 H new ATOM 0 HH21 ARG A 55 69.903 -23.429 -0.917 1.00 1.00 H new ATOM 0 HH22 ARG A 55 70.005 -23.417 -2.681 1.00 1.00 H new ATOM 875 N ALA A 56 71.595 -16.652 3.274 1.00 1.00 N ATOM 876 CA ALA A 56 72.244 -15.347 3.003 1.00 1.00 C ATOM 877 C ALA A 56 71.552 -14.592 1.865 1.00 1.00 C ATOM 878 O ALA A 56 72.091 -14.487 0.765 1.00 1.00 O ATOM 879 CB ALA A 56 73.724 -15.563 2.651 1.00 1.00 C ATOM 0 H ALA A 56 71.799 -17.031 4.199 1.00 1.00 H new ATOM 0 HA ALA A 56 72.160 -14.743 3.907 1.00 1.00 H new ATOM 0 HB1 ALA A 56 74.195 -14.600 2.453 1.00 1.00 H new ATOM 0 HB2 ALA A 56 74.229 -16.049 3.485 1.00 1.00 H new ATOM 0 HB3 ALA A 56 73.799 -16.193 1.765 1.00 1.00 H new ATOM 885 N VAL A 57 70.350 -14.088 2.164 1.00 1.00 N ATOM 886 CA VAL A 57 69.514 -13.340 1.201 1.00 1.00 C ATOM 887 C VAL A 57 69.983 -13.519 -0.244 1.00 1.00 C ATOM 888 O VAL A 57 70.910 -12.836 -0.634 1.00 1.00 O ATOM 889 CB VAL A 57 69.477 -11.842 1.562 1.00 1.00 C ATOM 890 CG1 VAL A 57 70.903 -11.267 1.660 1.00 1.00 C ATOM 891 CG2 VAL A 57 68.688 -11.086 0.485 1.00 1.00 C ATOM 892 OXT VAL A 57 69.401 -14.341 -0.936 1.00 1.00 O ATOM 0 H VAL A 57 69.922 -14.185 3.085 1.00 1.00 H new ATOM 0 HA VAL A 57 68.508 -13.754 1.271 1.00 1.00 H new ATOM 0 HB VAL A 57 68.993 -11.724 2.532 1.00 1.00 H new ATOM 0 HG11 VAL A 57 70.852 -10.209 1.916 1.00 1.00 H new ATOM 0 HG12 VAL A 57 71.458 -11.800 2.432 1.00 1.00 H new ATOM 0 HG13 VAL A 57 71.409 -11.385 0.702 1.00 1.00 H new ATOM 0 HG21 VAL A 57 68.657 -10.025 0.734 1.00 1.00 H new ATOM 0 HG22 VAL A 57 69.174 -11.218 -0.482 1.00 1.00 H new ATOM 0 HG23 VAL A 57 67.672 -11.477 0.437 1.00 1.00 H new TER 902 VAL A 57