USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 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 36 GLN : amide:sc= -1.08! C(o=-3.6!,f=-10!) USER MOD Set 1.2: A 48 ASN : amide:sc= -2.54! C(o=-3.6!,f=-8.4!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 113 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.29) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -150:sc= -0.267 USER MOD Single : A 10 SER OG : rot 180:sc= -0.686 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0359 USER MOD Single : A 17 THR OG1 : rot 101:sc= 1.27 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.591 K(o=-0.59,f=-1.1) USER MOD Single : A 30 THR OG1 : rot 73:sc= 0.188 USER MOD Single : A 32 TYR OH : rot 180:sc= 0.215 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc=-0.00483 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0534 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 62 SER OG : rot 64:sc= 0.0903! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0528 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -87:sc= 1.26 USER MOD Single : A 81 THR OG1 : rot 107:sc= 1.16 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 114:sc= 1.13 USER MOD Single : A 90 THR OG1 : rot -25:sc= 0.308 USER MOD Single : A 94 GLN : amide:sc= -0.324 K(o=-0.32,f=-0.83) USER MOD Single : A 98 SER OG : rot 2:sc= 0.398 USER MOD Single : A 103 ASN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.417 5.242 16.103 1.00 0.00 N ATOM 2 CA ALA A 1 -16.895 4.346 15.027 1.00 0.00 C ATOM 3 C ALA A 1 -15.801 3.370 14.618 1.00 0.00 C ATOM 4 O ALA A 1 -14.856 3.739 13.916 1.00 0.00 O ATOM 5 CB ALA A 1 -17.348 5.160 13.828 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.176 5.901 16.369 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.144 4.675 16.931 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.594 5.781 15.766 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.743 3.775 15.405 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.697 4.489 13.043 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.159 5.824 14.125 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.513 5.752 13.454 1.00 0.00 H new ATOM 11 N ALA A 2 -15.931 2.129 15.067 1.00 0.00 N ATOM 12 CA ALA A 2 -14.957 1.092 14.759 1.00 0.00 C ATOM 13 C ALA A 2 -15.148 0.564 13.344 1.00 0.00 C ATOM 14 O ALA A 2 -16.226 0.074 12.999 1.00 0.00 O ATOM 15 CB ALA A 2 -15.065 -0.047 15.760 1.00 0.00 C ATOM 0 H ALA A 2 -16.707 1.815 15.650 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.962 1.533 14.827 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.331 -0.815 15.518 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.875 0.332 16.764 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.066 -0.476 15.717 1.00 0.00 H new ATOM 21 N PRO A 3 -14.105 0.664 12.504 1.00 0.00 N ATOM 22 CA PRO A 3 -14.152 0.187 11.125 1.00 0.00 C ATOM 23 C PRO A 3 -13.884 -1.315 11.030 1.00 0.00 C ATOM 24 O PRO A 3 -13.604 -1.976 12.033 1.00 0.00 O ATOM 25 CB PRO A 3 -13.036 0.981 10.455 1.00 0.00 C ATOM 26 CG PRO A 3 -12.029 1.204 11.533 1.00 0.00 C ATOM 27 CD PRO A 3 -12.797 1.265 12.831 1.00 0.00 C ATOM 0 HA PRO A 3 -15.130 0.328 10.664 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.605 0.430 9.619 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.406 1.926 10.057 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.297 0.397 11.553 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.478 2.129 11.364 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.290 0.711 13.621 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.906 2.291 13.182 1.00 0.00 H new ATOM 35 N THR A 4 -13.960 -1.853 9.825 1.00 0.00 N ATOM 36 CA THR A 4 -13.731 -3.270 9.616 1.00 0.00 C ATOM 37 C THR A 4 -12.709 -3.504 8.508 1.00 0.00 C ATOM 38 O THR A 4 -13.057 -3.898 7.393 1.00 0.00 O ATOM 39 CB THR A 4 -15.044 -3.993 9.267 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.157 -3.236 9.760 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.073 -5.386 9.873 1.00 0.00 C ATOM 0 H THR A 4 -14.179 -1.329 8.977 1.00 0.00 H new ATOM 0 HA THR A 4 -13.338 -3.677 10.548 1.00 0.00 H new ATOM 0 HB THR A 4 -15.108 -4.084 8.183 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.992 -3.697 9.535 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.011 -5.877 9.612 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.238 -5.969 9.485 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.991 -5.313 10.957 1.00 0.00 H new ATOM 49 N ALA A 5 -11.448 -3.242 8.812 1.00 0.00 N ATOM 50 CA ALA A 5 -10.379 -3.431 7.850 1.00 0.00 C ATOM 51 C ALA A 5 -10.107 -4.914 7.647 1.00 0.00 C ATOM 52 O ALA A 5 -9.654 -5.604 8.561 1.00 0.00 O ATOM 53 CB ALA A 5 -9.117 -2.714 8.310 1.00 0.00 C ATOM 0 H ALA A 5 -11.141 -2.897 9.721 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.689 -3.003 6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.325 -2.866 7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.320 -1.648 8.409 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.802 -3.115 9.273 1.00 0.00 H new ATOM 59 N THR A 6 -10.404 -5.405 6.455 1.00 0.00 N ATOM 60 CA THR A 6 -10.188 -6.805 6.131 1.00 0.00 C ATOM 61 C THR A 6 -9.174 -6.924 4.999 1.00 0.00 C ATOM 62 O THR A 6 -9.480 -6.623 3.847 1.00 0.00 O ATOM 63 CB THR A 6 -11.504 -7.490 5.716 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.622 -6.656 6.062 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.645 -8.843 6.398 1.00 0.00 C ATOM 0 H THR A 6 -10.797 -4.852 5.693 1.00 0.00 H new ATOM 0 HA THR A 6 -9.806 -7.303 7.022 1.00 0.00 H new ATOM 0 HB THR A 6 -11.486 -7.643 4.637 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.455 -7.097 5.794 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.581 -9.309 6.091 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.810 -9.483 6.113 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.645 -8.707 7.479 1.00 0.00 H new ATOM 73 N VAL A 7 -7.956 -7.329 5.327 1.00 0.00 N ATOM 74 CA VAL A 7 -6.916 -7.462 4.318 1.00 0.00 C ATOM 75 C VAL A 7 -6.323 -8.867 4.307 1.00 0.00 C ATOM 76 O VAL A 7 -6.224 -9.523 5.348 1.00 0.00 O ATOM 77 CB VAL A 7 -5.779 -6.433 4.523 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.253 -5.027 4.185 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.242 -6.489 5.947 1.00 0.00 C ATOM 0 H VAL A 7 -7.665 -7.569 6.275 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.395 -7.269 3.358 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.967 -6.693 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.436 -4.321 4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.574 -4.992 3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.089 -4.759 4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.444 -5.756 6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.046 -6.265 6.648 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.851 -7.486 6.149 1.00 0.00 H new ATOM 89 N THR A 8 -5.954 -9.328 3.124 1.00 0.00 N ATOM 90 CA THR A 8 -5.351 -10.641 2.964 1.00 0.00 C ATOM 91 C THR A 8 -3.884 -10.489 2.560 1.00 0.00 C ATOM 92 O THR A 8 -3.577 -10.251 1.390 1.00 0.00 O ATOM 93 CB THR A 8 -6.094 -11.477 1.904 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.512 -11.308 2.050 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.745 -12.954 2.030 1.00 0.00 C ATOM 0 H THR A 8 -6.063 -8.808 2.253 1.00 0.00 H new ATOM 0 HA THR A 8 -5.422 -11.163 3.918 1.00 0.00 H new ATOM 0 HB THR A 8 -5.782 -11.128 0.920 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.970 -12.123 1.758 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.283 -13.521 1.270 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.672 -13.088 1.891 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.030 -13.312 3.019 1.00 0.00 H new ATOM 103 N PRO A 9 -2.960 -10.601 3.530 1.00 0.00 N ATOM 104 CA PRO A 9 -1.526 -10.457 3.270 1.00 0.00 C ATOM 105 C PRO A 9 -0.940 -11.662 2.533 1.00 0.00 C ATOM 106 O PRO A 9 -1.367 -12.797 2.744 1.00 0.00 O ATOM 107 CB PRO A 9 -0.923 -10.335 4.673 1.00 0.00 C ATOM 108 CG PRO A 9 -1.879 -11.046 5.568 1.00 0.00 C ATOM 109 CD PRO A 9 -3.243 -10.878 4.953 1.00 0.00 C ATOM 0 HA PRO A 9 -1.312 -9.605 2.624 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.068 -10.786 4.717 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.811 -9.291 4.965 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.619 -12.101 5.654 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.853 -10.628 6.574 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.848 -11.777 5.072 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.793 -10.059 5.418 1.00 0.00 H new ATOM 117 N SER A 10 0.037 -11.405 1.669 1.00 0.00 N ATOM 118 CA SER A 10 0.690 -12.459 0.899 1.00 0.00 C ATOM 119 C SER A 10 1.845 -13.086 1.686 1.00 0.00 C ATOM 120 O SER A 10 2.890 -13.421 1.123 1.00 0.00 O ATOM 121 CB SER A 10 1.201 -11.881 -0.425 1.00 0.00 C ATOM 122 OG SER A 10 0.232 -11.027 -1.011 1.00 0.00 O ATOM 0 H SER A 10 0.396 -10.469 1.483 1.00 0.00 H new ATOM 0 HA SER A 10 -0.038 -13.244 0.697 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.124 -11.327 -0.253 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.440 -12.692 -1.113 1.00 0.00 H new ATOM 0 HG SER A 10 0.580 -10.668 -1.854 1.00 0.00 H new ATOM 128 N SER A 11 1.645 -13.246 2.987 1.00 0.00 N ATOM 129 CA SER A 11 2.654 -13.829 3.850 1.00 0.00 C ATOM 130 C SER A 11 2.856 -15.304 3.520 1.00 0.00 C ATOM 131 O SER A 11 1.892 -16.068 3.436 1.00 0.00 O ATOM 132 CB SER A 11 2.239 -13.668 5.311 1.00 0.00 C ATOM 133 OG SER A 11 1.842 -12.333 5.581 1.00 0.00 O ATOM 0 H SER A 11 0.786 -12.977 3.467 1.00 0.00 H new ATOM 0 HA SER A 11 3.598 -13.309 3.686 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.418 -14.348 5.537 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.069 -13.943 5.961 1.00 0.00 H new ATOM 0 HG SER A 11 1.579 -12.254 6.522 1.00 0.00 H new ATOM 139 N GLY A 12 4.107 -15.687 3.305 1.00 0.00 N ATOM 140 CA GLY A 12 4.424 -17.065 2.986 1.00 0.00 C ATOM 141 C GLY A 12 4.408 -17.324 1.495 1.00 0.00 C ATOM 142 O GLY A 12 4.499 -18.468 1.055 1.00 0.00 O ATOM 0 H GLY A 12 4.913 -15.063 3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.408 -17.312 3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.707 -17.724 3.475 1.00 0.00 H new ATOM 146 N LEU A 13 4.302 -16.261 0.714 1.00 0.00 N ATOM 147 CA LEU A 13 4.263 -16.386 -0.735 1.00 0.00 C ATOM 148 C LEU A 13 5.474 -15.708 -1.373 1.00 0.00 C ATOM 149 O LEU A 13 6.424 -15.342 -0.682 1.00 0.00 O ATOM 150 CB LEU A 13 2.961 -15.796 -1.278 1.00 0.00 C ATOM 151 CG LEU A 13 1.705 -16.615 -0.969 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.462 -15.882 -1.447 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.793 -17.992 -1.610 1.00 0.00 C ATOM 0 H LEU A 13 4.241 -15.303 1.058 1.00 0.00 H new ATOM 0 HA LEU A 13 4.300 -17.444 -0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.834 -14.794 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.051 -15.689 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 13 1.635 -16.744 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.422 -16.478 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.390 -14.919 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.525 -15.723 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.891 -18.559 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.888 -17.885 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.663 -18.520 -1.220 1.00 0.00 H new ATOM 165 N SER A 14 5.445 -15.563 -2.688 1.00 0.00 N ATOM 166 CA SER A 14 6.540 -14.941 -3.414 1.00 0.00 C ATOM 167 C SER A 14 6.087 -13.634 -4.063 1.00 0.00 C ATOM 168 O SER A 14 4.977 -13.161 -3.811 1.00 0.00 O ATOM 169 CB SER A 14 7.061 -15.910 -4.472 1.00 0.00 C ATOM 170 OG SER A 14 7.335 -17.179 -3.901 1.00 0.00 O ATOM 0 H SER A 14 4.671 -15.869 -3.277 1.00 0.00 H new ATOM 0 HA SER A 14 7.342 -14.706 -2.714 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.325 -16.016 -5.269 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.966 -15.507 -4.926 1.00 0.00 H new ATOM 0 HG SER A 14 7.666 -17.786 -4.596 1.00 0.00 H new ATOM 176 N ASP A 15 6.948 -13.048 -4.888 1.00 0.00 N ATOM 177 CA ASP A 15 6.616 -11.803 -5.568 1.00 0.00 C ATOM 178 C ASP A 15 5.678 -12.081 -6.737 1.00 0.00 C ATOM 179 O ASP A 15 5.624 -13.199 -7.250 1.00 0.00 O ATOM 180 CB ASP A 15 7.880 -11.076 -6.047 1.00 0.00 C ATOM 181 CG ASP A 15 8.572 -11.766 -7.207 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.230 -12.804 -6.982 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.491 -11.250 -8.342 1.00 0.00 O ATOM 0 H ASP A 15 7.876 -13.413 -5.101 1.00 0.00 H new ATOM 0 HA ASP A 15 6.110 -11.149 -4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.615 -10.061 -6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.579 -10.993 -5.215 1.00 0.00 H new ATOM 188 N GLY A 16 4.926 -11.069 -7.139 1.00 0.00 N ATOM 189 CA GLY A 16 3.990 -11.234 -8.230 1.00 0.00 C ATOM 190 C GLY A 16 2.616 -11.623 -7.727 1.00 0.00 C ATOM 191 O GLY A 16 1.681 -11.797 -8.507 1.00 0.00 O ATOM 0 H GLY A 16 4.947 -10.135 -6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.922 -10.305 -8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.358 -11.998 -8.914 1.00 0.00 H new ATOM 195 N THR A 17 2.505 -11.771 -6.415 1.00 0.00 N ATOM 196 CA THR A 17 1.250 -12.138 -5.787 1.00 0.00 C ATOM 197 C THR A 17 0.325 -10.929 -5.691 1.00 0.00 C ATOM 198 O THR A 17 0.784 -9.788 -5.577 1.00 0.00 O ATOM 199 CB THR A 17 1.487 -12.721 -4.378 1.00 0.00 C ATOM 200 OG1 THR A 17 2.502 -13.731 -4.435 1.00 0.00 O ATOM 201 CG2 THR A 17 0.210 -13.318 -3.807 1.00 0.00 C ATOM 0 H THR A 17 3.278 -11.641 -5.762 1.00 0.00 H new ATOM 0 HA THR A 17 0.779 -12.901 -6.407 1.00 0.00 H new ATOM 0 HB THR A 17 1.809 -11.909 -3.726 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.354 -13.357 -4.127 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.409 -13.721 -2.814 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.554 -12.544 -3.738 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.141 -14.118 -4.459 1.00 0.00 H new ATOM 209 N VAL A 18 -0.971 -11.185 -5.754 1.00 0.00 N ATOM 210 CA VAL A 18 -1.963 -10.132 -5.667 1.00 0.00 C ATOM 211 C VAL A 18 -2.469 -10.000 -4.234 1.00 0.00 C ATOM 212 O VAL A 18 -2.985 -10.957 -3.657 1.00 0.00 O ATOM 213 CB VAL A 18 -3.150 -10.410 -6.609 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.170 -9.288 -6.549 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.667 -10.611 -8.036 1.00 0.00 C ATOM 0 H VAL A 18 -1.361 -12.121 -5.866 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.488 -9.199 -5.972 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.635 -11.327 -6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.996 -9.511 -7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.548 -9.194 -5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.699 -8.352 -6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.521 -10.806 -8.685 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.151 -9.713 -8.375 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.982 -11.458 -8.072 1.00 0.00 H new ATOM 225 N VAL A 19 -2.291 -8.823 -3.666 1.00 0.00 N ATOM 226 CA VAL A 19 -2.732 -8.547 -2.308 1.00 0.00 C ATOM 227 C VAL A 19 -4.182 -8.072 -2.311 1.00 0.00 C ATOM 228 O VAL A 19 -4.536 -7.151 -3.049 1.00 0.00 O ATOM 229 CB VAL A 19 -1.852 -7.472 -1.631 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.247 -7.289 -0.174 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.378 -7.831 -1.739 1.00 0.00 C ATOM 0 H VAL A 19 -1.839 -8.034 -4.128 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.644 -9.475 -1.743 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.015 -6.529 -2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.614 -6.528 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.290 -6.976 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.121 -8.232 0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.221 -7.059 -1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.200 -8.789 -1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.097 -7.903 -2.790 1.00 0.00 H new ATOM 241 N LYS A 20 -5.011 -8.702 -1.491 1.00 0.00 N ATOM 242 CA LYS A 20 -6.418 -8.342 -1.400 1.00 0.00 C ATOM 243 C LYS A 20 -6.631 -7.341 -0.271 1.00 0.00 C ATOM 244 O LYS A 20 -6.318 -7.621 0.890 1.00 0.00 O ATOM 245 CB LYS A 20 -7.274 -9.589 -1.173 1.00 0.00 C ATOM 246 CG LYS A 20 -8.758 -9.293 -1.026 1.00 0.00 C ATOM 247 CD LYS A 20 -9.539 -10.530 -0.611 1.00 0.00 C ATOM 248 CE LYS A 20 -9.522 -11.600 -1.691 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.288 -12.808 -1.285 1.00 0.00 N ATOM 0 H LYS A 20 -4.732 -9.467 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.722 -7.881 -2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.130 -10.275 -2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.924 -10.101 -0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.901 -8.507 -0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.149 -8.915 -1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.116 -10.935 0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.570 -10.252 -0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.944 -11.195 -2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.491 -11.880 -1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.253 -13.514 -2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.870 -13.210 -0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.278 -12.546 -1.101 1.00 0.00 H new ATOM 263 N VAL A 21 -7.152 -6.176 -0.618 1.00 0.00 N ATOM 264 CA VAL A 21 -7.406 -5.128 0.357 1.00 0.00 C ATOM 265 C VAL A 21 -8.882 -4.748 0.369 1.00 0.00 C ATOM 266 O VAL A 21 -9.413 -4.272 -0.634 1.00 0.00 O ATOM 267 CB VAL A 21 -6.554 -3.871 0.062 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.866 -2.756 1.052 1.00 0.00 C ATOM 269 CG2 VAL A 21 -5.074 -4.217 0.096 1.00 0.00 C ATOM 0 H VAL A 21 -7.409 -5.931 -1.574 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.127 -5.519 1.336 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.806 -3.514 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.254 -1.884 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.920 -2.489 0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.648 -3.096 2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.486 -3.323 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.813 -4.600 1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.860 -4.976 -0.657 1.00 0.00 H new ATOM 279 N ALA A 22 -9.541 -4.978 1.494 1.00 0.00 N ATOM 280 CA ALA A 22 -10.949 -4.644 1.632 1.00 0.00 C ATOM 281 C ALA A 22 -11.161 -3.721 2.826 1.00 0.00 C ATOM 282 O ALA A 22 -11.270 -4.170 3.970 1.00 0.00 O ATOM 283 CB ALA A 22 -11.790 -5.909 1.767 1.00 0.00 C ATOM 0 H ALA A 22 -9.122 -5.395 2.325 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.271 -4.119 0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.841 -5.638 1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.660 -6.529 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.471 -6.465 2.648 1.00 0.00 H new ATOM 289 N GLY A 23 -11.195 -2.425 2.560 1.00 0.00 N ATOM 290 CA GLY A 23 -11.391 -1.461 3.620 1.00 0.00 C ATOM 291 C GLY A 23 -12.856 -1.149 3.842 1.00 0.00 C ATOM 292 O GLY A 23 -13.429 -0.318 3.141 1.00 0.00 O ATOM 0 H GLY A 23 -11.090 -2.024 1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.959 -1.846 4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.858 -0.542 3.377 1.00 0.00 H new ATOM 296 N ALA A 24 -13.466 -1.822 4.803 1.00 0.00 N ATOM 297 CA ALA A 24 -14.869 -1.601 5.110 1.00 0.00 C ATOM 298 C ALA A 24 -15.011 -0.658 6.299 1.00 0.00 C ATOM 299 O ALA A 24 -14.312 -0.800 7.304 1.00 0.00 O ATOM 300 CB ALA A 24 -15.567 -2.924 5.384 1.00 0.00 C ATOM 0 H ALA A 24 -13.011 -2.526 5.384 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.345 -1.136 4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.617 -2.741 5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.493 -3.563 4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.092 -3.417 6.232 1.00 0.00 H new ATOM 306 N GLY A 25 -15.909 0.305 6.180 1.00 0.00 N ATOM 307 CA GLY A 25 -16.110 1.255 7.252 1.00 0.00 C ATOM 308 C GLY A 25 -15.255 2.490 7.075 1.00 0.00 C ATOM 309 O GLY A 25 -14.807 3.092 8.049 1.00 0.00 O ATOM 0 H GLY A 25 -16.502 0.446 5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.161 1.543 7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.874 0.783 8.205 1.00 0.00 H new ATOM 313 N LEU A 26 -15.017 2.854 5.823 1.00 0.00 N ATOM 314 CA LEU A 26 -14.215 4.025 5.500 1.00 0.00 C ATOM 315 C LEU A 26 -15.126 5.186 5.126 1.00 0.00 C ATOM 316 O LEU A 26 -16.350 5.049 5.135 1.00 0.00 O ATOM 317 CB LEU A 26 -13.251 3.706 4.352 1.00 0.00 C ATOM 318 CG LEU A 26 -12.189 2.648 4.664 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.290 2.425 3.460 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.355 3.061 5.866 1.00 0.00 C ATOM 0 H LEU A 26 -15.371 2.351 5.009 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.627 4.307 6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.833 3.371 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.747 4.626 4.056 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.700 1.715 4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.541 1.670 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.890 2.086 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.793 3.359 3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.607 2.295 6.070 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.857 4.008 5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.002 3.177 6.735 1.00 0.00 H new ATOM 332 N GLN A 27 -14.539 6.325 4.794 1.00 0.00 N ATOM 333 CA GLN A 27 -15.322 7.491 4.429 1.00 0.00 C ATOM 334 C GLN A 27 -15.702 7.438 2.955 1.00 0.00 C ATOM 335 O GLN A 27 -14.856 7.615 2.076 1.00 0.00 O ATOM 336 CB GLN A 27 -14.548 8.771 4.739 1.00 0.00 C ATOM 337 CG GLN A 27 -15.442 9.931 5.146 1.00 0.00 C ATOM 338 CD GLN A 27 -16.333 9.595 6.328 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.983 8.775 7.177 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.494 10.219 6.391 1.00 0.00 N ATOM 0 H GLN A 27 -13.529 6.465 4.770 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.238 7.491 5.019 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.836 8.572 5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.969 9.058 3.862 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.822 10.792 5.396 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.063 10.221 4.298 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.751 10.893 5.669 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.135 10.028 7.161 1.00 0.00 H new ATOM 349 N ALA A 28 -16.980 7.184 2.702 1.00 0.00 N ATOM 350 CA ALA A 28 -17.510 7.089 1.346 1.00 0.00 C ATOM 351 C ALA A 28 -17.225 8.352 0.540 1.00 0.00 C ATOM 352 O ALA A 28 -17.420 9.468 1.025 1.00 0.00 O ATOM 353 CB ALA A 28 -19.007 6.818 1.390 1.00 0.00 C ATOM 0 H ALA A 28 -17.679 7.038 3.431 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.008 6.260 0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.394 6.749 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.192 5.880 1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.509 7.631 1.915 1.00 0.00 H new ATOM 359 N GLY A 29 -16.752 8.171 -0.686 1.00 0.00 N ATOM 360 CA GLY A 29 -16.459 9.304 -1.543 1.00 0.00 C ATOM 361 C GLY A 29 -14.992 9.680 -1.548 1.00 0.00 C ATOM 362 O GLY A 29 -14.534 10.413 -2.429 1.00 0.00 O ATOM 0 H GLY A 29 -16.566 7.259 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.772 9.073 -2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.047 10.162 -1.216 1.00 0.00 H new ATOM 366 N THR A 30 -14.252 9.177 -0.574 1.00 0.00 N ATOM 367 CA THR A 30 -12.832 9.469 -0.464 1.00 0.00 C ATOM 368 C THR A 30 -11.997 8.403 -1.169 1.00 0.00 C ATOM 369 O THR A 30 -12.372 7.227 -1.203 1.00 0.00 O ATOM 370 CB THR A 30 -12.407 9.553 1.017 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.529 9.949 1.819 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.268 10.546 1.207 1.00 0.00 C ATOM 0 H THR A 30 -14.613 8.562 0.155 1.00 0.00 H new ATOM 0 HA THR A 30 -12.656 10.431 -0.945 1.00 0.00 H new ATOM 0 HB THR A 30 -12.058 8.568 1.328 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.159 9.202 1.892 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.990 10.584 2.260 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.408 10.231 0.616 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.589 11.535 0.881 1.00 0.00 H new ATOM 380 N ALA A 31 -10.876 8.817 -1.749 1.00 0.00 N ATOM 381 CA ALA A 31 -9.988 7.893 -2.439 1.00 0.00 C ATOM 382 C ALA A 31 -8.845 7.483 -1.524 1.00 0.00 C ATOM 383 O ALA A 31 -8.223 8.326 -0.877 1.00 0.00 O ATOM 384 CB ALA A 31 -9.450 8.514 -3.717 1.00 0.00 C ATOM 0 H ALA A 31 -10.562 9.787 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.558 7.004 -2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.789 7.805 -4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.280 8.763 -4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.895 9.420 -3.475 1.00 0.00 H new ATOM 390 N TYR A 32 -8.576 6.192 -1.459 1.00 0.00 N ATOM 391 CA TYR A 32 -7.513 5.683 -0.610 1.00 0.00 C ATOM 392 C TYR A 32 -6.371 5.128 -1.449 1.00 0.00 C ATOM 393 O TYR A 32 -6.593 4.394 -2.414 1.00 0.00 O ATOM 394 CB TYR A 32 -8.054 4.616 0.348 1.00 0.00 C ATOM 395 CG TYR A 32 -8.967 5.181 1.417 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.305 5.443 1.151 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.488 5.461 2.692 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.140 5.967 2.122 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.315 5.985 3.670 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.642 6.236 3.382 1.00 0.00 C ATOM 401 OH TYR A 32 -11.470 6.759 4.355 1.00 0.00 O ATOM 0 H TYR A 32 -9.079 5.476 -1.984 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.124 6.510 -0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.598 3.865 -0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.216 4.108 0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.701 5.234 0.168 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.451 5.266 2.923 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.177 6.165 1.896 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.924 6.197 4.654 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.961 6.887 5.183 1.00 0.00 H new ATOM 411 N ASP A 33 -5.154 5.490 -1.078 1.00 0.00 N ATOM 412 CA ASP A 33 -3.966 5.047 -1.794 1.00 0.00 C ATOM 413 C ASP A 33 -3.424 3.773 -1.165 1.00 0.00 C ATOM 414 O ASP A 33 -3.099 3.746 0.025 1.00 0.00 O ATOM 415 CB ASP A 33 -2.893 6.137 -1.772 1.00 0.00 C ATOM 416 CG ASP A 33 -2.276 6.377 -3.136 1.00 0.00 C ATOM 417 OD1 ASP A 33 -1.474 5.535 -3.593 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.587 7.418 -3.753 1.00 0.00 O ATOM 0 H ASP A 33 -4.961 6.094 -0.279 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.239 4.845 -2.830 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.332 7.066 -1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.110 5.856 -1.068 1.00 0.00 H new ATOM 423 N VAL A 34 -3.342 2.712 -1.958 1.00 0.00 N ATOM 424 CA VAL A 34 -2.850 1.435 -1.465 1.00 0.00 C ATOM 425 C VAL A 34 -1.772 0.874 -2.385 1.00 0.00 C ATOM 426 O VAL A 34 -1.968 0.763 -3.597 1.00 0.00 O ATOM 427 CB VAL A 34 -3.983 0.390 -1.333 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.511 -0.816 -0.531 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.227 0.999 -0.699 1.00 0.00 C ATOM 0 H VAL A 34 -3.609 2.712 -2.942 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.431 1.626 -0.477 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.247 0.058 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.323 -1.539 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.662 -1.278 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.210 -0.495 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.004 0.239 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.983 1.373 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.585 1.822 -1.318 1.00 0.00 H new ATOM 439 N GLY A 35 -0.629 0.545 -1.799 1.00 0.00 N ATOM 440 CA GLY A 35 0.469 -0.019 -2.555 1.00 0.00 C ATOM 441 C GLY A 35 1.396 -0.810 -1.660 1.00 0.00 C ATOM 442 O GLY A 35 1.164 -0.898 -0.456 1.00 0.00 O ATOM 0 H GLY A 35 -0.443 0.661 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.079 -0.665 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.026 0.780 -3.045 1.00 0.00 H new ATOM 446 N GLN A 36 2.450 -1.382 -2.225 1.00 0.00 N ATOM 447 CA GLN A 36 3.403 -2.156 -1.431 1.00 0.00 C ATOM 448 C GLN A 36 4.458 -1.231 -0.831 1.00 0.00 C ATOM 449 O GLN A 36 5.659 -1.467 -0.946 1.00 0.00 O ATOM 450 CB GLN A 36 4.065 -3.247 -2.275 1.00 0.00 C ATOM 451 CG GLN A 36 4.684 -2.739 -3.564 1.00 0.00 C ATOM 452 CD GLN A 36 5.691 -3.704 -4.155 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.785 -3.844 -5.371 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.462 -4.364 -3.303 1.00 0.00 N ATOM 0 H GLN A 36 2.669 -1.328 -3.220 1.00 0.00 H new ATOM 0 HA GLN A 36 2.858 -2.643 -0.622 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.838 -3.734 -1.680 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.322 -4.007 -2.516 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.894 -2.555 -4.292 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.172 -1.783 -3.375 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.353 -4.220 -2.299 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.165 -5.016 -3.651 1.00 0.00 H new ATOM 463 N CYS A 37 3.982 -0.174 -0.194 1.00 0.00 N ATOM 464 CA CYS A 37 4.845 0.817 0.426 1.00 0.00 C ATOM 465 C CYS A 37 5.656 0.218 1.569 1.00 0.00 C ATOM 466 O CYS A 37 5.147 0.033 2.673 1.00 0.00 O ATOM 467 CB CYS A 37 3.997 1.979 0.935 1.00 0.00 C ATOM 468 SG CYS A 37 2.483 2.264 -0.040 1.00 0.00 S ATOM 0 H CYS A 37 2.986 0.021 -0.092 1.00 0.00 H new ATOM 0 HA CYS A 37 5.550 1.175 -0.324 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.720 1.788 1.972 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.599 2.887 0.928 1.00 0.00 H new ATOM 473 N ALA A 38 6.919 -0.078 1.289 1.00 0.00 N ATOM 474 CA ALA A 38 7.812 -0.659 2.275 1.00 0.00 C ATOM 475 C ALA A 38 8.840 0.365 2.743 1.00 0.00 C ATOM 476 O ALA A 38 8.820 1.520 2.308 1.00 0.00 O ATOM 477 CB ALA A 38 8.502 -1.893 1.699 1.00 0.00 C ATOM 0 H ALA A 38 7.348 0.078 0.377 1.00 0.00 H new ATOM 0 HA ALA A 38 7.222 -0.963 3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.169 -2.320 2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.751 -2.632 1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.079 -1.610 0.819 1.00 0.00 H new ATOM 483 N TRP A 39 9.724 -0.064 3.633 1.00 0.00 N ATOM 484 CA TRP A 39 10.764 0.799 4.179 1.00 0.00 C ATOM 485 C TRP A 39 11.778 1.196 3.110 1.00 0.00 C ATOM 486 O TRP A 39 12.472 0.343 2.552 1.00 0.00 O ATOM 487 CB TRP A 39 11.479 0.093 5.333 1.00 0.00 C ATOM 488 CG TRP A 39 10.802 0.283 6.654 1.00 0.00 C ATOM 489 CD1 TRP A 39 9.506 -0.011 6.963 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.390 0.807 7.849 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.250 0.305 8.274 1.00 0.00 N ATOM 492 CE2 TRP A 39 10.389 0.809 8.840 1.00 0.00 C ATOM 493 CE3 TRP A 39 12.661 1.280 8.177 1.00 0.00 C ATOM 494 CZ2 TRP A 39 10.623 1.261 10.133 1.00 0.00 C ATOM 495 CZ3 TRP A 39 12.892 1.728 9.462 1.00 0.00 C ATOM 496 CH2 TRP A 39 11.875 1.719 10.427 1.00 0.00 C ATOM 0 H TRP A 39 9.741 -1.017 3.996 1.00 0.00 H new ATOM 0 HA TRP A 39 10.285 1.707 4.546 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.541 -0.973 5.115 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.501 0.465 5.400 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.786 -0.431 6.276 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.356 0.184 8.749 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.449 1.295 7.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.842 1.250 10.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.873 2.092 9.729 1.00 0.00 H new ATOM 0 HH2 TRP A 39 12.086 2.081 11.422 1.00 0.00 H new ATOM 507 N VAL A 40 11.865 2.491 2.843 1.00 0.00 N ATOM 508 CA VAL A 40 12.796 3.011 1.850 1.00 0.00 C ATOM 509 C VAL A 40 14.002 3.652 2.541 1.00 0.00 C ATOM 510 O VAL A 40 15.060 3.845 1.938 1.00 0.00 O ATOM 511 CB VAL A 40 12.102 4.037 0.917 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.739 5.312 1.663 1.00 0.00 C ATOM 513 CG2 VAL A 40 12.972 4.344 -0.290 1.00 0.00 C ATOM 0 H VAL A 40 11.299 3.205 3.302 1.00 0.00 H new ATOM 0 HA VAL A 40 13.140 2.177 1.238 1.00 0.00 H new ATOM 0 HB VAL A 40 11.174 3.587 0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.255 6.009 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.059 5.074 2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.644 5.768 2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.465 5.066 -0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.923 4.760 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.154 3.427 -0.850 1.00 0.00 H new ATOM 523 N ASP A 41 13.828 3.963 3.820 1.00 0.00 N ATOM 524 CA ASP A 41 14.878 4.578 4.623 1.00 0.00 C ATOM 525 C ASP A 41 14.559 4.392 6.102 1.00 0.00 C ATOM 526 O ASP A 41 13.549 3.776 6.444 1.00 0.00 O ATOM 527 CB ASP A 41 14.996 6.070 4.303 1.00 0.00 C ATOM 528 CG ASP A 41 16.409 6.592 4.448 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.856 6.803 5.593 1.00 0.00 O ATOM 530 OD2 ASP A 41 17.074 6.801 3.413 1.00 0.00 O ATOM 0 H ASP A 41 12.959 3.797 4.328 1.00 0.00 H new ATOM 0 HA ASP A 41 15.828 4.098 4.389 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.651 6.247 3.284 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.337 6.632 4.964 1.00 0.00 H new ATOM 535 N THR A 42 15.395 4.941 6.970 1.00 0.00 N ATOM 536 CA THR A 42 15.190 4.822 8.406 1.00 0.00 C ATOM 537 C THR A 42 13.968 5.630 8.842 1.00 0.00 C ATOM 538 O THR A 42 14.019 6.854 8.942 1.00 0.00 O ATOM 539 CB THR A 42 16.431 5.292 9.189 1.00 0.00 C ATOM 540 OG1 THR A 42 17.605 4.645 8.672 1.00 0.00 O ATOM 541 CG2 THR A 42 16.286 4.976 10.670 1.00 0.00 C ATOM 0 H THR A 42 16.223 5.474 6.705 1.00 0.00 H new ATOM 0 HA THR A 42 15.021 3.768 8.628 1.00 0.00 H new ATOM 0 HB THR A 42 16.525 6.372 9.071 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.392 4.948 9.171 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.174 5.317 11.203 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.407 5.485 11.066 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.173 3.900 10.803 1.00 0.00 H new ATOM 549 N GLY A 43 12.860 4.933 9.065 1.00 0.00 N ATOM 550 CA GLY A 43 11.635 5.588 9.481 1.00 0.00 C ATOM 551 C GLY A 43 10.871 6.164 8.306 1.00 0.00 C ATOM 552 O GLY A 43 9.829 6.796 8.478 1.00 0.00 O ATOM 0 H GLY A 43 12.789 3.920 8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.003 4.874 10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.872 6.385 10.185 1.00 0.00 H new ATOM 556 N VAL A 44 11.388 5.941 7.107 1.00 0.00 N ATOM 557 CA VAL A 44 10.760 6.446 5.900 1.00 0.00 C ATOM 558 C VAL A 44 10.298 5.294 5.023 1.00 0.00 C ATOM 559 O VAL A 44 11.040 4.342 4.783 1.00 0.00 O ATOM 560 CB VAL A 44 11.721 7.338 5.085 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.952 8.156 4.058 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.525 8.250 5.998 1.00 0.00 C ATOM 0 H VAL A 44 12.245 5.411 6.946 1.00 0.00 H new ATOM 0 HA VAL A 44 9.905 7.047 6.211 1.00 0.00 H new ATOM 0 HB VAL A 44 12.418 6.687 4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.647 8.778 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.430 7.485 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.228 8.792 4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.194 8.867 5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.847 8.891 6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.112 7.646 6.690 1.00 0.00 H new ATOM 572 N LEU A 45 9.069 5.381 4.555 1.00 0.00 N ATOM 573 CA LEU A 45 8.501 4.358 3.697 1.00 0.00 C ATOM 574 C LEU A 45 8.128 4.984 2.362 1.00 0.00 C ATOM 575 O LEU A 45 8.071 6.207 2.253 1.00 0.00 O ATOM 576 CB LEU A 45 7.275 3.716 4.358 1.00 0.00 C ATOM 577 CG LEU A 45 7.527 3.108 5.738 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.182 4.102 6.834 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.732 1.826 5.911 1.00 0.00 C ATOM 0 H LEU A 45 8.439 6.157 4.756 1.00 0.00 H new ATOM 0 HA LEU A 45 9.237 3.571 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.493 4.470 4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.892 2.937 3.699 1.00 0.00 H new ATOM 0 HG LEU A 45 8.587 2.868 5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.369 3.649 7.808 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.799 4.994 6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.130 4.377 6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.925 1.409 6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.668 2.041 5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.031 1.107 5.149 1.00 0.00 H new ATOM 591 N ALA A 46 7.890 4.166 1.350 1.00 0.00 N ATOM 592 CA ALA A 46 7.539 4.688 0.036 1.00 0.00 C ATOM 593 C ALA A 46 6.742 3.674 -0.774 1.00 0.00 C ATOM 594 O ALA A 46 7.007 2.475 -0.708 1.00 0.00 O ATOM 595 CB ALA A 46 8.799 5.094 -0.705 1.00 0.00 C ATOM 0 H ALA A 46 7.932 3.149 1.409 1.00 0.00 H new ATOM 0 HA ALA A 46 6.904 5.564 0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.534 5.484 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.322 5.864 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.448 4.226 -0.822 1.00 0.00 H new ATOM 601 N CYS A 47 5.774 4.165 -1.541 1.00 0.00 N ATOM 602 CA CYS A 47 4.926 3.301 -2.362 1.00 0.00 C ATOM 603 C CYS A 47 5.476 3.178 -3.778 1.00 0.00 C ATOM 604 O CYS A 47 6.384 3.909 -4.162 1.00 0.00 O ATOM 605 CB CYS A 47 3.501 3.852 -2.422 1.00 0.00 C ATOM 606 SG CYS A 47 2.728 4.131 -0.798 1.00 0.00 S ATOM 0 H CYS A 47 5.555 5.159 -1.613 1.00 0.00 H new ATOM 0 HA CYS A 47 4.916 2.314 -1.900 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.512 4.794 -2.971 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.881 3.159 -2.991 1.00 0.00 H new ATOM 611 N ASN A 48 4.913 2.259 -4.555 1.00 0.00 N ATOM 612 CA ASN A 48 5.347 2.047 -5.932 1.00 0.00 C ATOM 613 C ASN A 48 4.306 2.595 -6.911 1.00 0.00 C ATOM 614 O ASN A 48 3.191 2.091 -6.995 1.00 0.00 O ATOM 615 CB ASN A 48 5.610 0.554 -6.209 1.00 0.00 C ATOM 616 CG ASN A 48 4.399 -0.337 -5.966 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.582 -0.084 -5.079 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.282 -1.398 -6.751 1.00 0.00 N ATOM 0 H ASN A 48 4.154 1.648 -4.254 1.00 0.00 H new ATOM 0 HA ASN A 48 6.283 2.587 -6.076 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.934 0.437 -7.243 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.431 0.216 -5.577 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.496 -2.037 -6.631 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.978 -1.576 -7.475 1.00 0.00 H new ATOM 625 N PRO A 49 4.662 3.630 -7.686 1.00 0.00 N ATOM 626 CA PRO A 49 3.747 4.247 -8.651 1.00 0.00 C ATOM 627 C PRO A 49 3.643 3.451 -9.947 1.00 0.00 C ATOM 628 O PRO A 49 2.947 3.851 -10.879 1.00 0.00 O ATOM 629 CB PRO A 49 4.398 5.601 -8.916 1.00 0.00 C ATOM 630 CG PRO A 49 5.854 5.332 -8.769 1.00 0.00 C ATOM 631 CD PRO A 49 5.982 4.291 -7.685 1.00 0.00 C ATOM 0 HA PRO A 49 2.727 4.305 -8.271 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.159 5.971 -9.913 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.057 6.354 -8.206 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.280 4.973 -9.706 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.393 6.241 -8.501 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.785 3.585 -7.899 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.204 4.743 -6.718 1.00 0.00 H new ATOM 639 N ALA A 50 4.336 2.326 -10.003 1.00 0.00 N ATOM 640 CA ALA A 50 4.325 1.494 -11.194 1.00 0.00 C ATOM 641 C ALA A 50 3.304 0.369 -11.086 1.00 0.00 C ATOM 642 O ALA A 50 2.805 -0.123 -12.098 1.00 0.00 O ATOM 643 CB ALA A 50 5.712 0.931 -11.451 1.00 0.00 C ATOM 0 H ALA A 50 4.911 1.969 -9.240 1.00 0.00 H new ATOM 0 HA ALA A 50 4.033 2.121 -12.037 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.692 0.309 -12.346 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.416 1.750 -11.594 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.024 0.329 -10.598 1.00 0.00 H new ATOM 649 N ASP A 51 2.962 -0.014 -9.859 1.00 0.00 N ATOM 650 CA ASP A 51 2.006 -1.099 -9.643 1.00 0.00 C ATOM 651 C ASP A 51 1.061 -0.783 -8.485 1.00 0.00 C ATOM 652 O ASP A 51 0.747 -1.658 -7.679 1.00 0.00 O ATOM 653 CB ASP A 51 2.738 -2.418 -9.350 1.00 0.00 C ATOM 654 CG ASP A 51 3.383 -3.036 -10.572 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.654 -3.525 -11.462 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.628 -3.061 -10.640 1.00 0.00 O ATOM 0 H ASP A 51 3.328 0.406 -9.005 1.00 0.00 H new ATOM 0 HA ASP A 51 1.422 -1.202 -10.557 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.504 -2.239 -8.596 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.031 -3.129 -8.923 1.00 0.00 H new ATOM 661 N PHE A 52 0.596 0.457 -8.405 1.00 0.00 N ATOM 662 CA PHE A 52 -0.315 0.847 -7.334 1.00 0.00 C ATOM 663 C PHE A 52 -1.740 0.971 -7.865 1.00 0.00 C ATOM 664 O PHE A 52 -1.982 0.814 -9.066 1.00 0.00 O ATOM 665 CB PHE A 52 0.136 2.161 -6.677 1.00 0.00 C ATOM 666 CG PHE A 52 -0.279 3.403 -7.420 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.345 3.761 -8.603 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.299 4.208 -6.935 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.037 4.897 -9.289 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.687 5.345 -7.617 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.054 5.690 -8.794 1.00 0.00 C ATOM 0 H PHE A 52 0.830 1.203 -9.060 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.296 0.068 -6.572 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.269 2.205 -5.666 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.222 2.153 -6.585 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.140 3.144 -8.994 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.796 3.943 -6.013 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.458 5.165 -10.211 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.484 5.963 -7.230 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.354 6.580 -9.328 1.00 0.00 H new ATOM 681 N SER A 53 -2.682 1.225 -6.970 1.00 0.00 N ATOM 682 CA SER A 53 -4.079 1.369 -7.348 1.00 0.00 C ATOM 683 C SER A 53 -4.803 2.321 -6.402 1.00 0.00 C ATOM 684 O SER A 53 -4.682 2.214 -5.180 1.00 0.00 O ATOM 685 CB SER A 53 -4.773 0.002 -7.357 1.00 0.00 C ATOM 686 OG SER A 53 -4.177 -0.859 -8.314 1.00 0.00 O ATOM 0 H SER A 53 -2.503 1.336 -5.972 1.00 0.00 H new ATOM 0 HA SER A 53 -4.117 1.790 -8.353 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.711 -0.449 -6.367 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.832 0.128 -7.584 1.00 0.00 H new ATOM 0 HG SER A 53 -4.633 -1.726 -8.303 1.00 0.00 H new ATOM 692 N SER A 54 -5.521 3.271 -6.979 1.00 0.00 N ATOM 693 CA SER A 54 -6.283 4.241 -6.210 1.00 0.00 C ATOM 694 C SER A 54 -7.734 3.784 -6.110 1.00 0.00 C ATOM 695 O SER A 54 -8.484 3.834 -7.088 1.00 0.00 O ATOM 696 CB SER A 54 -6.188 5.616 -6.874 1.00 0.00 C ATOM 697 OG SER A 54 -5.786 5.493 -8.231 1.00 0.00 O ATOM 0 H SER A 54 -5.592 3.391 -7.989 1.00 0.00 H new ATOM 0 HA SER A 54 -5.873 4.318 -5.203 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.154 6.119 -6.820 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.474 6.238 -6.333 1.00 0.00 H new ATOM 0 HG SER A 54 -5.733 6.383 -8.638 1.00 0.00 H new ATOM 703 N VAL A 55 -8.125 3.324 -4.935 1.00 0.00 N ATOM 704 CA VAL A 55 -9.479 2.838 -4.736 1.00 0.00 C ATOM 705 C VAL A 55 -10.374 3.916 -4.127 1.00 0.00 C ATOM 706 O VAL A 55 -10.054 4.510 -3.095 1.00 0.00 O ATOM 707 CB VAL A 55 -9.501 1.554 -3.870 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.931 1.807 -2.484 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.911 0.986 -3.784 1.00 0.00 C ATOM 0 H VAL A 55 -7.529 3.277 -4.109 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.877 2.585 -5.719 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.864 0.815 -4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.962 0.885 -1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.899 2.146 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.523 2.572 -1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.903 0.085 -3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.574 1.725 -3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.266 0.741 -4.785 1.00 0.00 H new ATOM 719 N THR A 56 -11.478 4.191 -4.803 1.00 0.00 N ATOM 720 CA THR A 56 -12.430 5.179 -4.334 1.00 0.00 C ATOM 721 C THR A 56 -13.496 4.493 -3.485 1.00 0.00 C ATOM 722 O THR A 56 -14.021 3.440 -3.862 1.00 0.00 O ATOM 723 CB THR A 56 -13.084 5.952 -5.509 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.999 6.937 -5.012 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.814 5.016 -6.466 1.00 0.00 C ATOM 0 H THR A 56 -11.736 3.741 -5.681 1.00 0.00 H new ATOM 0 HA THR A 56 -11.894 5.910 -3.728 1.00 0.00 H new ATOM 0 HB THR A 56 -12.281 6.443 -6.059 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.403 7.418 -5.765 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.258 5.596 -7.275 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.108 4.297 -6.881 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.599 4.485 -5.927 1.00 0.00 H new ATOM 733 N ALA A 57 -13.778 5.058 -2.321 1.00 0.00 N ATOM 734 CA ALA A 57 -14.773 4.491 -1.425 1.00 0.00 C ATOM 735 C ALA A 57 -16.159 4.593 -2.039 1.00 0.00 C ATOM 736 O ALA A 57 -16.601 5.682 -2.412 1.00 0.00 O ATOM 737 CB ALA A 57 -14.732 5.182 -0.073 1.00 0.00 C ATOM 0 H ALA A 57 -13.332 5.908 -1.975 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.541 3.437 -1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.484 4.743 0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.745 5.055 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.938 6.245 -0.201 1.00 0.00 H new ATOM 743 N ASP A 58 -16.836 3.454 -2.140 1.00 0.00 N ATOM 744 CA ASP A 58 -18.170 3.394 -2.728 1.00 0.00 C ATOM 745 C ASP A 58 -19.216 4.004 -1.801 1.00 0.00 C ATOM 746 O ASP A 58 -18.905 4.432 -0.690 1.00 0.00 O ATOM 747 CB ASP A 58 -18.557 1.947 -3.074 1.00 0.00 C ATOM 748 CG ASP A 58 -18.334 0.972 -1.928 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.808 1.239 -0.805 1.00 0.00 O ATOM 750 OD2 ASP A 58 -17.683 -0.070 -2.150 1.00 0.00 O ATOM 0 H ASP A 58 -16.480 2.554 -1.820 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.143 3.979 -3.647 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.607 1.919 -3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.977 1.620 -3.937 1.00 0.00 H new ATOM 755 N ALA A 59 -20.464 4.013 -2.263 1.00 0.00 N ATOM 756 CA ALA A 59 -21.580 4.576 -1.503 1.00 0.00 C ATOM 757 C ALA A 59 -21.879 3.775 -0.234 1.00 0.00 C ATOM 758 O ALA A 59 -22.693 4.193 0.593 1.00 0.00 O ATOM 759 CB ALA A 59 -22.823 4.651 -2.377 1.00 0.00 C ATOM 0 H ALA A 59 -20.731 3.632 -3.171 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.288 5.580 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.648 5.071 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.623 5.285 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.090 3.650 -2.716 1.00 0.00 H new ATOM 765 N ASN A 60 -21.233 2.628 -0.088 1.00 0.00 N ATOM 766 CA ASN A 60 -21.431 1.784 1.083 1.00 0.00 C ATOM 767 C ASN A 60 -20.351 2.065 2.114 1.00 0.00 C ATOM 768 O ASN A 60 -20.469 1.680 3.278 1.00 0.00 O ATOM 769 CB ASN A 60 -21.397 0.301 0.704 1.00 0.00 C ATOM 770 CG ASN A 60 -22.598 -0.131 -0.109 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.685 0.427 0.023 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.410 -1.131 -0.958 1.00 0.00 N ATOM 0 H ASN A 60 -20.566 2.259 -0.766 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.410 2.014 1.503 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.489 0.098 0.136 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.346 -0.299 1.612 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.184 -1.465 -1.532 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.491 -1.567 -1.037 1.00 0.00 H new ATOM 779 N GLY A 61 -19.300 2.745 1.679 1.00 0.00 N ATOM 780 CA GLY A 61 -18.200 3.065 2.562 1.00 0.00 C ATOM 781 C GLY A 61 -17.162 1.969 2.563 1.00 0.00 C ATOM 782 O GLY A 61 -16.418 1.797 3.531 1.00 0.00 O ATOM 0 H GLY A 61 -19.191 3.082 0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.741 4.003 2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.575 3.215 3.574 1.00 0.00 H new ATOM 786 N SER A 62 -17.118 1.223 1.471 1.00 0.00 N ATOM 787 CA SER A 62 -16.173 0.128 1.336 1.00 0.00 C ATOM 788 C SER A 62 -15.136 0.438 0.256 1.00 0.00 C ATOM 789 O SER A 62 -15.375 1.260 -0.637 1.00 0.00 O ATOM 790 CB SER A 62 -16.918 -1.169 1.006 1.00 0.00 C ATOM 791 OG SER A 62 -18.289 -0.913 0.721 1.00 0.00 O ATOM 0 H SER A 62 -17.727 1.357 0.664 1.00 0.00 H new ATOM 0 HA SER A 62 -15.649 0.003 2.283 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.449 -1.654 0.149 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.841 -1.860 1.845 1.00 0.00 H new ATOM 0 HG SER A 62 -18.358 -0.360 -0.085 1.00 0.00 H new ATOM 797 N ALA A 63 -13.988 -0.212 0.349 1.00 0.00 N ATOM 798 CA ALA A 63 -12.918 -0.014 -0.611 1.00 0.00 C ATOM 799 C ALA A 63 -12.146 -1.307 -0.841 1.00 0.00 C ATOM 800 O ALA A 63 -11.175 -1.598 -0.140 1.00 0.00 O ATOM 801 CB ALA A 63 -11.983 1.091 -0.136 1.00 0.00 C ATOM 0 H ALA A 63 -13.774 -0.885 1.085 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.361 0.286 -1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.184 1.230 -0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.543 2.020 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.552 0.814 0.826 1.00 0.00 H new ATOM 807 N SER A 64 -12.602 -2.092 -1.805 1.00 0.00 N ATOM 808 CA SER A 64 -11.954 -3.349 -2.143 1.00 0.00 C ATOM 809 C SER A 64 -11.089 -3.178 -3.388 1.00 0.00 C ATOM 810 O SER A 64 -11.561 -2.709 -4.425 1.00 0.00 O ATOM 811 CB SER A 64 -13.005 -4.441 -2.374 1.00 0.00 C ATOM 812 OG SER A 64 -13.639 -4.819 -1.159 1.00 0.00 O ATOM 0 H SER A 64 -13.424 -1.878 -2.370 1.00 0.00 H new ATOM 0 HA SER A 64 -11.315 -3.648 -1.312 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.754 -4.083 -3.080 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.532 -5.313 -2.826 1.00 0.00 H new ATOM 0 HG SER A 64 -14.305 -5.515 -1.340 1.00 0.00 H new ATOM 818 N THR A 65 -9.822 -3.542 -3.275 1.00 0.00 N ATOM 819 CA THR A 65 -8.893 -3.435 -4.386 1.00 0.00 C ATOM 820 C THR A 65 -7.824 -4.527 -4.300 1.00 0.00 C ATOM 821 O THR A 65 -7.719 -5.228 -3.286 1.00 0.00 O ATOM 822 CB THR A 65 -8.227 -2.036 -4.438 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.499 -1.874 -5.665 1.00 0.00 O ATOM 824 CG2 THR A 65 -7.295 -1.828 -3.247 1.00 0.00 C ATOM 0 H THR A 65 -9.412 -3.916 -2.419 1.00 0.00 H new ATOM 0 HA THR A 65 -9.463 -3.570 -5.305 1.00 0.00 H new ATOM 0 HB THR A 65 -9.017 -1.286 -4.391 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.085 -0.986 -5.685 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.841 -0.839 -3.308 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.864 -1.909 -2.321 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.513 -2.587 -3.260 1.00 0.00 H new ATOM 832 N SER A 66 -7.039 -4.662 -5.357 1.00 0.00 N ATOM 833 CA SER A 66 -5.989 -5.668 -5.424 1.00 0.00 C ATOM 834 C SER A 66 -4.675 -5.032 -5.875 1.00 0.00 C ATOM 835 O SER A 66 -4.662 -4.218 -6.798 1.00 0.00 O ATOM 836 CB SER A 66 -6.401 -6.776 -6.393 1.00 0.00 C ATOM 837 OG SER A 66 -7.789 -7.060 -6.286 1.00 0.00 O ATOM 0 H SER A 66 -7.111 -4.079 -6.191 1.00 0.00 H new ATOM 0 HA SER A 66 -5.842 -6.097 -4.433 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.166 -6.476 -7.414 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.825 -7.678 -6.185 1.00 0.00 H new ATOM 0 HG SER A 66 -8.027 -7.771 -6.917 1.00 0.00 H new ATOM 843 N LEU A 67 -3.578 -5.396 -5.220 1.00 0.00 N ATOM 844 CA LEU A 67 -2.270 -4.838 -5.556 1.00 0.00 C ATOM 845 C LEU A 67 -1.265 -5.930 -5.904 1.00 0.00 C ATOM 846 O LEU A 67 -1.310 -7.024 -5.352 1.00 0.00 O ATOM 847 CB LEU A 67 -1.725 -4.010 -4.386 1.00 0.00 C ATOM 848 CG LEU A 67 -2.161 -2.540 -4.347 1.00 0.00 C ATOM 849 CD1 LEU A 67 -1.955 -1.883 -5.701 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.615 -2.418 -3.914 1.00 0.00 C ATOM 0 H LEU A 67 -3.566 -6.072 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.407 -4.200 -6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.033 -4.485 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.636 -4.045 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.541 -2.024 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.271 -0.841 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.900 -1.930 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.546 -2.406 -6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.902 -1.367 -3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.251 -2.954 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.735 -2.846 -2.919 1.00 0.00 H new ATOM 862 N THR A 68 -0.357 -5.626 -6.819 1.00 0.00 N ATOM 863 CA THR A 68 0.665 -6.584 -7.214 1.00 0.00 C ATOM 864 C THR A 68 1.990 -6.258 -6.526 1.00 0.00 C ATOM 865 O THR A 68 2.594 -5.218 -6.787 1.00 0.00 O ATOM 866 CB THR A 68 0.865 -6.595 -8.741 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.375 -6.294 -9.403 1.00 0.00 O ATOM 868 CG2 THR A 68 1.378 -7.949 -9.209 1.00 0.00 C ATOM 0 H THR A 68 -0.307 -4.728 -7.300 1.00 0.00 H new ATOM 0 HA THR A 68 0.328 -7.573 -6.905 1.00 0.00 H new ATOM 0 HB THR A 68 1.605 -5.835 -8.993 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.238 -6.301 -10.373 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.512 -7.933 -10.291 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.333 -8.162 -8.728 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.657 -8.723 -8.944 1.00 0.00 H new ATOM 876 N VAL A 69 2.431 -7.138 -5.639 1.00 0.00 N ATOM 877 CA VAL A 69 3.678 -6.921 -4.915 1.00 0.00 C ATOM 878 C VAL A 69 4.881 -7.412 -5.723 1.00 0.00 C ATOM 879 O VAL A 69 4.937 -8.567 -6.142 1.00 0.00 O ATOM 880 CB VAL A 69 3.663 -7.600 -3.521 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.313 -9.077 -3.624 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.998 -7.414 -2.816 1.00 0.00 C ATOM 0 H VAL A 69 1.948 -8.005 -5.403 1.00 0.00 H new ATOM 0 HA VAL A 69 3.771 -5.845 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 69 2.888 -7.116 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.312 -9.521 -2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.325 -9.186 -4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.051 -9.583 -4.246 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.965 -7.898 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.791 -7.860 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.196 -6.350 -2.686 1.00 0.00 H new ATOM 892 N ARG A 70 5.831 -6.520 -5.955 1.00 0.00 N ATOM 893 CA ARG A 70 7.037 -6.852 -6.701 1.00 0.00 C ATOM 894 C ARG A 70 8.172 -7.175 -5.742 1.00 0.00 C ATOM 895 O ARG A 70 8.119 -6.809 -4.567 1.00 0.00 O ATOM 896 CB ARG A 70 7.452 -5.683 -7.598 1.00 0.00 C ATOM 897 CG ARG A 70 6.356 -5.209 -8.536 1.00 0.00 C ATOM 898 CD ARG A 70 5.996 -6.268 -9.564 1.00 0.00 C ATOM 899 NE ARG A 70 5.024 -5.767 -10.533 1.00 0.00 N ATOM 900 CZ ARG A 70 4.537 -6.474 -11.551 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.977 -7.705 -11.778 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.629 -5.929 -12.355 1.00 0.00 N ATOM 0 H ARG A 70 5.790 -5.552 -5.635 1.00 0.00 H new ATOM 0 HA ARG A 70 6.825 -7.722 -7.323 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.765 -4.849 -6.970 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.319 -5.980 -8.188 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.470 -4.948 -7.957 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.681 -4.303 -9.047 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.897 -6.591 -10.085 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.589 -7.144 -9.058 1.00 0.00 H new ATOM 0 HE ARG A 70 4.695 -4.808 -10.422 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.690 -8.112 -11.172 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.602 -8.245 -12.558 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.309 -4.974 -12.190 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.252 -6.465 -13.136 1.00 0.00 H new ATOM 916 N ARG A 71 9.195 -7.854 -6.242 1.00 0.00 N ATOM 917 CA ARG A 71 10.352 -8.199 -5.425 1.00 0.00 C ATOM 918 C ARG A 71 11.234 -6.967 -5.253 1.00 0.00 C ATOM 919 O ARG A 71 11.957 -6.834 -4.269 1.00 0.00 O ATOM 920 CB ARG A 71 11.146 -9.342 -6.071 1.00 0.00 C ATOM 921 CG ARG A 71 12.100 -10.054 -5.119 1.00 0.00 C ATOM 922 CD ARG A 71 11.360 -10.949 -4.132 1.00 0.00 C ATOM 923 NE ARG A 71 10.828 -12.158 -4.767 1.00 0.00 N ATOM 924 CZ ARG A 71 10.666 -13.325 -4.145 1.00 0.00 C ATOM 925 NH1 ARG A 71 10.975 -13.454 -2.858 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.187 -14.362 -4.818 1.00 0.00 N ATOM 0 H ARG A 71 9.248 -8.177 -7.208 1.00 0.00 H new ATOM 0 HA ARG A 71 10.011 -8.537 -4.446 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.446 -10.071 -6.479 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.717 -8.944 -6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.805 -10.654 -5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.684 -9.315 -4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.036 -11.233 -3.325 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.542 -10.389 -3.680 1.00 0.00 H new ATOM 0 HE ARG A 71 10.564 -12.102 -5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.339 -12.655 -2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.848 -14.351 -2.390 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.946 -14.263 -5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.060 -15.259 -4.350 1.00 0.00 H new ATOM 940 N SER A 72 11.159 -6.070 -6.231 1.00 0.00 N ATOM 941 CA SER A 72 11.911 -4.822 -6.221 1.00 0.00 C ATOM 942 C SER A 72 11.071 -3.733 -6.882 1.00 0.00 C ATOM 943 O SER A 72 10.368 -3.998 -7.862 1.00 0.00 O ATOM 944 CB SER A 72 13.242 -4.988 -6.961 1.00 0.00 C ATOM 945 OG SER A 72 13.912 -6.174 -6.554 1.00 0.00 O ATOM 0 H SER A 72 10.572 -6.190 -7.056 1.00 0.00 H new ATOM 0 HA SER A 72 12.132 -4.542 -5.191 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.062 -5.019 -8.036 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.878 -4.124 -6.769 1.00 0.00 H new ATOM 0 HG SER A 72 14.464 -5.984 -5.767 1.00 0.00 H new ATOM 951 N PHE A 73 11.129 -2.523 -6.344 1.00 0.00 N ATOM 952 CA PHE A 73 10.353 -1.417 -6.885 1.00 0.00 C ATOM 953 C PHE A 73 10.984 -0.074 -6.527 1.00 0.00 C ATOM 954 O PHE A 73 11.954 -0.014 -5.775 1.00 0.00 O ATOM 955 CB PHE A 73 8.908 -1.475 -6.359 1.00 0.00 C ATOM 956 CG PHE A 73 8.779 -1.270 -4.871 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.981 -2.322 -3.992 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.451 -0.026 -4.355 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.861 -2.138 -2.628 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.330 0.162 -2.992 1.00 0.00 C ATOM 961 CZ PHE A 73 8.533 -0.893 -2.129 1.00 0.00 C ATOM 0 H PHE A 73 11.703 -2.283 -5.536 1.00 0.00 H new ATOM 0 HA PHE A 73 10.344 -1.511 -7.971 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.317 -0.715 -6.871 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.478 -2.442 -6.619 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.235 -3.298 -4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.288 0.805 -5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.023 -2.966 -1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.076 1.137 -2.602 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.436 -0.746 -1.063 1.00 0.00 H new ATOM 971 N GLU A 74 10.431 0.994 -7.075 1.00 0.00 N ATOM 972 CA GLU A 74 10.925 2.332 -6.806 1.00 0.00 C ATOM 973 C GLU A 74 9.988 3.015 -5.824 1.00 0.00 C ATOM 974 O GLU A 74 8.782 3.105 -6.064 1.00 0.00 O ATOM 975 CB GLU A 74 11.044 3.153 -8.097 1.00 0.00 C ATOM 976 CG GLU A 74 12.071 2.617 -9.085 1.00 0.00 C ATOM 977 CD GLU A 74 11.543 1.449 -9.893 1.00 0.00 C ATOM 978 OE1 GLU A 74 10.588 1.649 -10.679 1.00 0.00 O ATOM 979 OE2 GLU A 74 12.070 0.328 -9.748 1.00 0.00 O ATOM 0 H GLU A 74 9.635 0.959 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 74 11.923 2.261 -6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.070 3.186 -8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.306 4.179 -7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.371 3.417 -9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.964 2.306 -8.543 1.00 0.00 H new ATOM 986 N GLY A 75 10.541 3.478 -4.718 1.00 0.00 N ATOM 987 CA GLY A 75 9.737 4.120 -3.703 1.00 0.00 C ATOM 988 C GLY A 75 9.433 5.571 -4.011 1.00 0.00 C ATOM 989 O GLY A 75 10.323 6.345 -4.373 1.00 0.00 O ATOM 0 H GLY A 75 11.537 3.421 -4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.800 3.575 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.255 4.059 -2.746 1.00 0.00 H new ATOM 993 N PHE A 76 8.170 5.944 -3.843 1.00 0.00 N ATOM 994 CA PHE A 76 7.727 7.303 -4.101 1.00 0.00 C ATOM 995 C PHE A 76 6.939 7.825 -2.912 1.00 0.00 C ATOM 996 O PHE A 76 6.205 7.074 -2.262 1.00 0.00 O ATOM 997 CB PHE A 76 6.856 7.361 -5.361 1.00 0.00 C ATOM 998 CG PHE A 76 7.619 7.591 -6.638 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.501 6.638 -7.125 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.441 8.762 -7.363 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.190 6.846 -8.303 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.128 8.973 -8.544 1.00 0.00 C ATOM 1003 CZ PHE A 76 9.003 8.015 -9.014 1.00 0.00 C ATOM 0 H PHE A 76 7.431 5.316 -3.526 1.00 0.00 H new ATOM 0 HA PHE A 76 8.607 7.927 -4.257 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.302 6.426 -5.447 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.121 8.158 -5.243 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.651 5.721 -6.575 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.758 9.516 -7.000 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.875 6.095 -8.668 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.980 9.888 -9.099 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.541 8.179 -9.936 1.00 0.00 H new ATOM 1013 N LEU A 77 7.102 9.102 -2.623 1.00 0.00 N ATOM 1014 CA LEU A 77 6.400 9.729 -1.521 1.00 0.00 C ATOM 1015 C LEU A 77 5.029 10.202 -1.987 1.00 0.00 C ATOM 1016 O LEU A 77 4.752 10.220 -3.190 1.00 0.00 O ATOM 1017 CB LEU A 77 7.222 10.898 -0.972 1.00 0.00 C ATOM 1018 CG LEU A 77 8.723 10.617 -0.820 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.476 11.899 -0.506 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.968 9.583 0.270 1.00 0.00 C ATOM 0 H LEU A 77 7.719 9.728 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 77 6.263 9.003 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.093 11.756 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.820 11.181 0.001 1.00 0.00 H new ATOM 0 HG LEU A 77 9.092 10.218 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.539 11.680 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.330 12.614 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.100 12.323 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.038 9.398 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.581 9.956 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.460 8.654 0.011 1.00 0.00 H new ATOM 1032 N PHE A 78 4.176 10.596 -1.047 1.00 0.00 N ATOM 1033 CA PHE A 78 2.828 11.054 -1.378 1.00 0.00 C ATOM 1034 C PHE A 78 2.855 12.341 -2.197 1.00 0.00 C ATOM 1035 O PHE A 78 1.939 12.604 -2.978 1.00 0.00 O ATOM 1036 CB PHE A 78 2.004 11.264 -0.110 1.00 0.00 C ATOM 1037 CG PHE A 78 1.173 10.069 0.265 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -0.051 9.845 -0.344 1.00 0.00 C ATOM 1039 CD2 PHE A 78 1.616 9.172 1.223 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -0.818 8.749 -0.004 1.00 0.00 C ATOM 1041 CE2 PHE A 78 0.854 8.074 1.567 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.364 7.862 0.952 1.00 0.00 C ATOM 0 H PHE A 78 4.392 10.608 -0.050 1.00 0.00 H new ATOM 0 HA PHE A 78 2.362 10.277 -1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.675 11.504 0.715 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.349 12.124 -0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.409 10.536 -1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.568 9.334 1.706 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.771 8.585 -0.485 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.210 7.382 2.316 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.961 7.003 1.219 1.00 0.00 H new ATOM 1052 N ASP A 79 3.907 13.134 -2.019 1.00 0.00 N ATOM 1053 CA ASP A 79 4.052 14.391 -2.750 1.00 0.00 C ATOM 1054 C ASP A 79 4.421 14.126 -4.206 1.00 0.00 C ATOM 1055 O ASP A 79 4.160 14.954 -5.079 1.00 0.00 O ATOM 1056 CB ASP A 79 5.108 15.290 -2.095 1.00 0.00 C ATOM 1057 CG ASP A 79 6.508 15.009 -2.602 1.00 0.00 C ATOM 1058 OD1 ASP A 79 7.013 13.892 -2.377 1.00 0.00 O ATOM 1059 OD2 ASP A 79 7.116 15.906 -3.224 1.00 0.00 O ATOM 0 H ASP A 79 4.672 12.930 -1.376 1.00 0.00 H new ATOM 0 HA ASP A 79 3.093 14.908 -2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.859 16.334 -2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.081 15.148 -1.015 1.00 0.00 H new ATOM 1064 N GLY A 80 5.027 12.971 -4.460 1.00 0.00 N ATOM 1065 CA GLY A 80 5.405 12.615 -5.811 1.00 0.00 C ATOM 1066 C GLY A 80 6.901 12.468 -5.989 1.00 0.00 C ATOM 1067 O GLY A 80 7.360 12.026 -7.040 1.00 0.00 O ATOM 0 H GLY A 80 5.262 12.276 -3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.919 11.678 -6.083 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.036 13.377 -6.498 1.00 0.00 H new ATOM 1071 N THR A 81 7.662 12.830 -4.962 1.00 0.00 N ATOM 1072 CA THR A 81 9.116 12.737 -5.017 1.00 0.00 C ATOM 1073 C THR A 81 9.582 11.292 -4.816 1.00 0.00 C ATOM 1074 O THR A 81 9.036 10.561 -3.987 1.00 0.00 O ATOM 1075 CB THR A 81 9.768 13.650 -3.949 1.00 0.00 C ATOM 1076 OG1 THR A 81 9.422 15.021 -4.198 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.286 13.505 -3.934 1.00 0.00 C ATOM 0 H THR A 81 7.296 13.191 -4.081 1.00 0.00 H new ATOM 0 HA THR A 81 9.429 13.071 -6.006 1.00 0.00 H new ATOM 0 HB THR A 81 9.387 13.341 -2.975 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.770 15.320 -3.531 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.707 14.161 -3.172 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.551 12.472 -3.709 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.687 13.778 -4.910 1.00 0.00 H new ATOM 1085 N ARG A 82 10.579 10.882 -5.589 1.00 0.00 N ATOM 1086 CA ARG A 82 11.123 9.536 -5.485 1.00 0.00 C ATOM 1087 C ARG A 82 12.263 9.522 -4.476 1.00 0.00 C ATOM 1088 O ARG A 82 13.293 10.159 -4.689 1.00 0.00 O ATOM 1089 CB ARG A 82 11.619 9.053 -6.854 1.00 0.00 C ATOM 1090 CG ARG A 82 12.240 7.661 -6.834 1.00 0.00 C ATOM 1091 CD ARG A 82 13.762 7.715 -6.804 1.00 0.00 C ATOM 1092 NE ARG A 82 14.319 8.333 -8.005 1.00 0.00 N ATOM 1093 CZ ARG A 82 14.877 9.545 -8.038 1.00 0.00 C ATOM 1094 NH1 ARG A 82 14.882 10.314 -6.955 1.00 0.00 N ATOM 1095 NH2 ARG A 82 15.409 10.000 -9.162 1.00 0.00 N ATOM 0 H ARG A 82 11.028 11.464 -6.296 1.00 0.00 H new ATOM 0 HA ARG A 82 10.338 8.860 -5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.783 9.056 -7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 82 12.355 9.762 -7.233 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.879 7.116 -5.962 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.914 7.106 -7.714 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.086 8.275 -5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.157 6.704 -6.702 1.00 0.00 H new ATOM 0 HE ARG A 82 14.279 7.803 -8.876 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.457 9.979 -6.090 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.310 11.239 -6.988 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.393 9.424 -10.004 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.835 10.926 -9.186 1.00 0.00 H new ATOM 1109 N TRP A 83 12.082 8.802 -3.381 1.00 0.00 N ATOM 1110 CA TRP A 83 13.111 8.724 -2.353 1.00 0.00 C ATOM 1111 C TRP A 83 14.269 7.857 -2.829 1.00 0.00 C ATOM 1112 O TRP A 83 15.434 8.236 -2.707 1.00 0.00 O ATOM 1113 CB TRP A 83 12.532 8.162 -1.055 1.00 0.00 C ATOM 1114 CG TRP A 83 13.435 8.336 0.130 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.424 7.488 0.545 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.426 9.427 1.060 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.029 7.988 1.672 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.437 9.178 2.006 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.665 10.593 1.180 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.702 10.048 3.059 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.931 11.456 2.226 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.943 11.181 3.150 1.00 0.00 C ATOM 0 H TRP A 83 11.238 8.266 -3.180 1.00 0.00 H new ATOM 0 HA TRP A 83 13.481 9.731 -2.160 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.579 8.651 -0.850 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.323 7.101 -1.190 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.690 6.561 0.058 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.795 7.545 2.179 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.884 10.815 0.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.479 9.836 3.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.347 12.358 2.331 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.129 11.879 3.953 1.00 0.00 H new ATOM 1133 N GLY A 84 13.938 6.697 -3.378 1.00 0.00 N ATOM 1134 CA GLY A 84 14.953 5.792 -3.870 1.00 0.00 C ATOM 1135 C GLY A 84 14.375 4.442 -4.219 1.00 0.00 C ATOM 1136 O GLY A 84 13.164 4.240 -4.125 1.00 0.00 O ATOM 0 H GLY A 84 12.980 6.367 -3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.429 6.223 -4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.730 5.671 -3.115 1.00 0.00 H new ATOM 1140 N THR A 85 15.230 3.523 -4.628 1.00 0.00 N ATOM 1141 CA THR A 85 14.799 2.186 -4.991 1.00 0.00 C ATOM 1142 C THR A 85 14.639 1.315 -3.746 1.00 0.00 C ATOM 1143 O THR A 85 15.447 1.386 -2.822 1.00 0.00 O ATOM 1144 CB THR A 85 15.814 1.535 -5.951 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.385 2.542 -6.800 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.151 0.464 -6.803 1.00 0.00 C ATOM 0 H THR A 85 16.234 3.680 -4.717 1.00 0.00 H new ATOM 0 HA THR A 85 13.834 2.266 -5.492 1.00 0.00 H new ATOM 0 HB THR A 85 16.597 1.064 -5.357 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.032 2.128 -7.409 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.890 0.021 -7.471 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.736 -0.310 -6.157 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.351 0.912 -7.393 1.00 0.00 H new ATOM 1154 N VAL A 86 13.590 0.508 -3.718 1.00 0.00 N ATOM 1155 CA VAL A 86 13.332 -0.375 -2.592 1.00 0.00 C ATOM 1156 C VAL A 86 13.401 -1.822 -3.056 1.00 0.00 C ATOM 1157 O VAL A 86 12.765 -2.192 -4.044 1.00 0.00 O ATOM 1158 CB VAL A 86 11.946 -0.122 -1.962 1.00 0.00 C ATOM 1159 CG1 VAL A 86 11.815 -0.852 -0.630 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.694 1.368 -1.790 1.00 0.00 C ATOM 0 H VAL A 86 12.900 0.447 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 86 14.092 -0.172 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 86 11.189 -0.517 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.830 -0.659 -0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.938 -1.923 -0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.583 -0.496 0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.711 1.522 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.458 1.794 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.732 1.858 -2.763 1.00 0.00 H new ATOM 1170 N ASP A 87 14.173 -2.634 -2.359 1.00 0.00 N ATOM 1171 CA ASP A 87 14.316 -4.030 -2.726 1.00 0.00 C ATOM 1172 C ASP A 87 13.820 -4.943 -1.620 1.00 0.00 C ATOM 1173 O ASP A 87 14.108 -4.730 -0.442 1.00 0.00 O ATOM 1174 CB ASP A 87 15.771 -4.356 -3.049 1.00 0.00 C ATOM 1175 CG ASP A 87 15.955 -5.812 -3.423 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.767 -6.149 -4.610 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.275 -6.628 -2.533 1.00 0.00 O ATOM 0 H ASP A 87 14.709 -2.352 -1.538 1.00 0.00 H new ATOM 0 HA ASP A 87 13.707 -4.200 -3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.111 -3.725 -3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.395 -4.121 -2.187 1.00 0.00 H new ATOM 1182 N CYS A 88 13.072 -5.956 -2.008 1.00 0.00 N ATOM 1183 CA CYS A 88 12.536 -6.922 -1.070 1.00 0.00 C ATOM 1184 C CYS A 88 13.018 -8.325 -1.430 1.00 0.00 C ATOM 1185 O CYS A 88 12.304 -9.310 -1.239 1.00 0.00 O ATOM 1186 CB CYS A 88 11.006 -6.868 -1.057 1.00 0.00 C ATOM 1187 SG CYS A 88 10.319 -5.465 -0.119 1.00 0.00 S ATOM 0 H CYS A 88 12.819 -6.133 -2.980 1.00 0.00 H new ATOM 0 HA CYS A 88 12.894 -6.674 -0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.646 -6.815 -2.085 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.624 -7.797 -0.633 1.00 0.00 H new ATOM 1192 N THR A 89 14.232 -8.409 -1.967 1.00 0.00 N ATOM 1193 CA THR A 89 14.819 -9.688 -2.330 1.00 0.00 C ATOM 1194 C THR A 89 15.552 -10.262 -1.127 1.00 0.00 C ATOM 1195 O THR A 89 15.425 -11.442 -0.806 1.00 0.00 O ATOM 1196 CB THR A 89 15.789 -9.543 -3.516 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.191 -8.725 -4.528 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.141 -10.900 -4.103 1.00 0.00 C ATOM 0 H THR A 89 14.827 -7.603 -2.159 1.00 0.00 H new ATOM 0 HA THR A 89 14.019 -10.362 -2.635 1.00 0.00 H new ATOM 0 HB THR A 89 16.705 -9.076 -3.154 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.698 -7.891 -4.616 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.828 -10.768 -4.939 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.615 -11.515 -3.338 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.233 -11.392 -4.453 1.00 0.00 H new ATOM 1206 N THR A 90 16.308 -9.405 -0.454 1.00 0.00 N ATOM 1207 CA THR A 90 17.042 -9.804 0.738 1.00 0.00 C ATOM 1208 C THR A 90 16.308 -9.296 1.979 1.00 0.00 C ATOM 1209 O THR A 90 16.726 -9.528 3.116 1.00 0.00 O ATOM 1210 CB THR A 90 18.498 -9.271 0.712 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.241 -9.752 1.843 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.526 -7.753 0.702 1.00 0.00 C ATOM 0 H THR A 90 16.429 -8.426 -0.715 1.00 0.00 H new ATOM 0 HA THR A 90 17.094 -10.892 0.765 1.00 0.00 H new ATOM 0 HB THR A 90 18.961 -9.640 -0.204 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.624 -9.964 2.574 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.560 -7.408 0.684 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.005 -7.385 -0.182 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.033 -7.374 1.597 1.00 0.00 H new ATOM 1220 N ALA A 91 15.191 -8.624 1.737 1.00 0.00 N ATOM 1221 CA ALA A 91 14.370 -8.066 2.797 1.00 0.00 C ATOM 1222 C ALA A 91 12.914 -8.454 2.589 1.00 0.00 C ATOM 1223 O ALA A 91 12.573 -9.108 1.603 1.00 0.00 O ATOM 1224 CB ALA A 91 14.521 -6.553 2.832 1.00 0.00 C ATOM 0 H ALA A 91 14.830 -8.451 0.799 1.00 0.00 H new ATOM 0 HA ALA A 91 14.702 -8.469 3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.902 -6.144 3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.564 -6.296 3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.205 -6.134 1.877 1.00 0.00 H new ATOM 1230 N ALA A 92 12.066 -8.056 3.518 1.00 0.00 N ATOM 1231 CA ALA A 92 10.650 -8.358 3.439 1.00 0.00 C ATOM 1232 C ALA A 92 9.853 -7.096 3.127 1.00 0.00 C ATOM 1233 O ALA A 92 10.187 -6.008 3.594 1.00 0.00 O ATOM 1234 CB ALA A 92 10.172 -8.991 4.736 1.00 0.00 C ATOM 0 H ALA A 92 12.336 -7.519 4.342 1.00 0.00 H new ATOM 0 HA ALA A 92 10.490 -9.071 2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.107 -9.212 4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.723 -9.914 4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.343 -8.301 5.562 1.00 0.00 H new ATOM 1240 N CYS A 93 8.798 -7.252 2.346 1.00 0.00 N ATOM 1241 CA CYS A 93 7.958 -6.127 1.960 1.00 0.00 C ATOM 1242 C CYS A 93 6.771 -5.985 2.904 1.00 0.00 C ATOM 1243 O CYS A 93 6.654 -6.710 3.895 1.00 0.00 O ATOM 1244 CB CYS A 93 7.458 -6.312 0.525 1.00 0.00 C ATOM 1245 SG CYS A 93 8.386 -5.372 -0.736 1.00 0.00 S ATOM 0 H CYS A 93 8.500 -8.150 1.964 1.00 0.00 H new ATOM 0 HA CYS A 93 8.558 -5.219 2.020 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.502 -7.372 0.274 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.410 -6.017 0.479 1.00 0.00 H new ATOM 1250 N GLN A 94 5.901 -5.036 2.597 1.00 0.00 N ATOM 1251 CA GLN A 94 4.708 -4.789 3.390 1.00 0.00 C ATOM 1252 C GLN A 94 3.675 -4.058 2.541 1.00 0.00 C ATOM 1253 O GLN A 94 3.968 -3.658 1.412 1.00 0.00 O ATOM 1254 CB GLN A 94 5.044 -3.977 4.646 1.00 0.00 C ATOM 1255 CG GLN A 94 5.497 -2.559 4.361 1.00 0.00 C ATOM 1256 CD GLN A 94 5.998 -1.848 5.601 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.182 -1.895 5.920 1.00 0.00 O ATOM 1258 NE2 GLN A 94 5.096 -1.188 6.311 1.00 0.00 N ATOM 0 H GLN A 94 6.002 -4.417 1.793 1.00 0.00 H new ATOM 0 HA GLN A 94 4.296 -5.745 3.713 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.166 -3.944 5.291 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.827 -4.493 5.201 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.289 -2.578 3.612 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.668 -1.995 3.933 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.121 -1.174 6.011 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.376 -0.694 7.158 1.00 0.00 H new ATOM 1267 N VAL A 95 2.474 -3.894 3.073 1.00 0.00 N ATOM 1268 CA VAL A 95 1.406 -3.219 2.349 1.00 0.00 C ATOM 1269 C VAL A 95 1.033 -1.905 3.028 1.00 0.00 C ATOM 1270 O VAL A 95 0.761 -1.872 4.231 1.00 0.00 O ATOM 1271 CB VAL A 95 0.149 -4.108 2.243 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.869 -3.498 1.288 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.522 -5.520 1.811 1.00 0.00 C ATOM 0 H VAL A 95 2.213 -4.219 4.004 1.00 0.00 H new ATOM 0 HA VAL A 95 1.780 -3.014 1.346 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.310 -4.166 3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.746 -4.143 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.165 -2.514 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.425 -3.400 0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.379 -6.130 1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.011 -5.485 0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.201 -5.957 2.543 1.00 0.00 H new ATOM 1283 N GLY A 96 1.029 -0.831 2.253 1.00 0.00 N ATOM 1284 CA GLY A 96 0.682 0.470 2.775 1.00 0.00 C ATOM 1285 C GLY A 96 -0.656 0.943 2.252 1.00 0.00 C ATOM 1286 O GLY A 96 -0.857 1.037 1.040 1.00 0.00 O ATOM 0 H GLY A 96 1.263 -0.841 1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.654 0.430 3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.454 1.189 2.503 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.572 1.226 3.164 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.907 1.680 2.804 1.00 0.00 C ATOM 1292 C LEU A 97 -3.311 2.879 3.654 1.00 0.00 C ATOM 1293 O LEU A 97 -3.468 2.762 4.870 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.920 0.541 2.983 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.405 -0.689 3.747 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.495 -0.470 5.251 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.187 -1.928 3.342 1.00 0.00 C ATOM 0 H LEU A 97 -1.414 1.148 4.169 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.898 1.984 1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.792 0.933 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.257 0.220 1.997 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.357 -0.838 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.125 -1.354 5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.891 0.394 5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.533 -0.293 5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.811 -2.791 3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.243 -1.783 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.069 -2.099 2.272 1.00 0.00 H new ATOM 1309 N SER A 98 -3.456 4.032 3.017 1.00 0.00 N ATOM 1310 CA SER A 98 -3.839 5.249 3.718 1.00 0.00 C ATOM 1311 C SER A 98 -4.476 6.248 2.757 1.00 0.00 C ATOM 1312 O SER A 98 -4.433 6.066 1.542 1.00 0.00 O ATOM 1313 CB SER A 98 -2.614 5.882 4.387 1.00 0.00 C ATOM 1314 OG SER A 98 -2.081 5.036 5.395 1.00 0.00 O ATOM 0 H SER A 98 -3.314 4.150 2.014 1.00 0.00 H new ATOM 0 HA SER A 98 -4.570 4.986 4.483 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.850 6.082 3.636 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.891 6.842 4.824 1.00 0.00 H new ATOM 0 HG SER A 98 -2.595 4.203 5.428 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.084 7.288 3.309 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.713 8.326 2.502 1.00 0.00 C ATOM 1322 C ASP A 99 -4.663 9.339 2.051 1.00 0.00 C ATOM 1323 O ASP A 99 -3.469 9.152 2.294 1.00 0.00 O ATOM 1324 CB ASP A 99 -6.820 9.025 3.301 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.305 10.157 4.173 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.428 9.911 5.021 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -6.771 11.301 4.003 1.00 0.00 O ATOM 0 H ASP A 99 -5.156 7.437 4.316 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.162 7.866 1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.565 9.418 2.610 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.324 8.291 3.930 1.00 0.00 H new ATOM 1332 N ALA A 100 -5.107 10.414 1.408 1.00 0.00 N ATOM 1333 CA ALA A 100 -4.204 11.450 0.926 1.00 0.00 C ATOM 1334 C ALA A 100 -3.424 12.097 2.071 1.00 0.00 C ATOM 1335 O ALA A 100 -2.279 12.520 1.895 1.00 0.00 O ATOM 1336 CB ALA A 100 -4.981 12.505 0.150 1.00 0.00 C ATOM 0 H ALA A 100 -6.092 10.590 1.209 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.481 10.978 0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.295 13.274 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.476 12.039 -0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.729 12.958 0.801 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.040 12.174 3.244 1.00 0.00 N ATOM 1343 CA ALA A 101 -3.391 12.766 4.405 1.00 0.00 C ATOM 1344 C ALA A 101 -2.433 11.772 5.055 1.00 0.00 C ATOM 1345 O ALA A 101 -1.507 12.162 5.766 1.00 0.00 O ATOM 1346 CB ALA A 101 -4.431 13.240 5.403 1.00 0.00 C ATOM 0 H ALA A 101 -4.986 11.834 3.416 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.810 13.627 4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.932 13.681 6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.072 13.987 4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.037 12.394 5.727 1.00 0.00 H new ATOM 1352 N GLY A 102 -2.660 10.487 4.811 1.00 0.00 N ATOM 1353 CA GLY A 102 -1.803 9.461 5.372 1.00 0.00 C ATOM 1354 C GLY A 102 -2.411 8.786 6.587 1.00 0.00 C ATOM 1355 O GLY A 102 -1.690 8.307 7.464 1.00 0.00 O ATOM 0 H GLY A 102 -3.424 10.137 4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.597 8.710 4.610 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.847 9.905 5.649 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.735 8.740 6.642 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.436 8.123 7.759 1.00 0.00 C ATOM 1361 C ASN A 103 -5.288 6.960 7.275 1.00 0.00 C ATOM 1362 O ASN A 103 -5.447 6.755 6.069 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.322 9.149 8.469 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.539 10.340 8.980 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.484 11.393 8.184 1.00 0.00 O flip ATOM 1366 ND2 ASN A 103 -3.998 10.317 10.086 1.00 0.00 N flip ATOM 0 H ASN A 103 -4.347 9.125 5.923 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.692 7.750 8.462 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.094 9.494 7.782 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.831 8.668 9.304 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.065 9.483 10.669 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.483 11.132 10.419 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.829 6.201 8.215 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.665 5.071 7.869 1.00 0.00 C ATOM 1375 C GLY A 104 -6.300 3.836 8.665 1.00 0.00 C ATOM 1376 O GLY A 104 -6.100 3.921 9.880 1.00 0.00 O ATOM 0 H GLY A 104 -5.703 6.348 9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.710 5.324 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.567 4.859 6.804 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.203 2.669 8.011 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.849 1.416 8.674 1.00 0.00 C ATOM 1382 C PRO A 105 -4.343 1.296 8.896 1.00 0.00 C ATOM 1383 O PRO A 105 -3.571 2.148 8.451 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.333 0.332 7.694 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.943 1.052 6.530 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.430 2.464 6.578 1.00 0.00 C ATOM 0 HA PRO A 105 -6.299 1.338 9.664 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.503 -0.296 7.370 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.062 -0.324 8.170 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.668 0.572 5.591 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.031 1.033 6.591 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.513 2.583 6.001 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.154 3.173 6.176 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.927 0.248 9.590 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.514 0.030 9.859 1.00 0.00 C ATOM 1396 C GLU A 106 -1.888 -0.845 8.782 1.00 0.00 C ATOM 1397 O GLU A 106 -2.558 -1.702 8.202 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.324 -0.611 11.230 1.00 0.00 C ATOM 1399 CG GLU A 106 -2.798 0.269 12.372 1.00 0.00 C ATOM 1400 CD GLU A 106 -2.210 -0.144 13.700 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -2.812 -0.994 14.384 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -1.131 0.379 14.064 1.00 0.00 O ATOM 0 H GLU A 106 -4.547 -0.464 9.977 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.015 0.999 9.852 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.865 -1.557 11.260 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.269 -0.843 11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.529 1.305 12.165 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.886 0.228 12.431 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.608 -0.617 8.516 1.00 0.00 N ATOM 1410 CA GLY A 107 0.095 -1.384 7.509 1.00 0.00 C ATOM 1411 C GLY A 107 0.363 -2.809 7.953 1.00 0.00 C ATOM 1412 O GLY A 107 0.495 -3.083 9.151 1.00 0.00 O ATOM 0 H GLY A 107 -0.042 0.091 8.984 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.491 -1.396 6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.041 -0.894 7.277 1.00 0.00 H new ATOM 1416 N VAL A 108 0.448 -3.715 6.991 1.00 0.00 N ATOM 1417 CA VAL A 108 0.696 -5.120 7.281 1.00 0.00 C ATOM 1418 C VAL A 108 1.987 -5.578 6.618 1.00 0.00 C ATOM 1419 O VAL A 108 2.201 -5.336 5.427 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.465 -6.015 6.793 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.219 -7.475 7.157 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.789 -5.536 7.366 1.00 0.00 C ATOM 0 H VAL A 108 0.348 -3.502 5.999 1.00 0.00 H new ATOM 0 HA VAL A 108 0.780 -5.217 8.363 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.514 -5.941 5.707 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.051 -8.084 6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.705 -7.816 6.690 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.135 -7.571 8.240 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.594 -6.180 7.010 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.749 -5.573 8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.975 -4.511 7.045 1.00 0.00 H new ATOM 1432 N ALA A 109 2.844 -6.234 7.389 1.00 0.00 N ATOM 1433 CA ALA A 109 4.114 -6.728 6.877 1.00 0.00 C ATOM 1434 C ALA A 109 3.946 -8.124 6.290 1.00 0.00 C ATOM 1435 O ALA A 109 3.346 -9.002 6.914 1.00 0.00 O ATOM 1436 CB ALA A 109 5.161 -6.738 7.982 1.00 0.00 C ATOM 0 H ALA A 109 2.681 -6.437 8.375 1.00 0.00 H new ATOM 0 HA ALA A 109 4.452 -6.060 6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.106 -7.110 7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.300 -5.725 8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.828 -7.386 8.793 1.00 0.00 H new ATOM 1442 N ILE A 110 4.474 -8.336 5.090 1.00 0.00 N ATOM 1443 CA ILE A 110 4.362 -9.634 4.436 1.00 0.00 C ATOM 1444 C ILE A 110 5.736 -10.257 4.214 1.00 0.00 C ATOM 1445 O ILE A 110 6.631 -9.644 3.625 1.00 0.00 O ATOM 1446 CB ILE A 110 3.602 -9.551 3.092 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.270 -8.556 2.140 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.156 -9.154 3.337 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.708 -8.591 0.737 1.00 0.00 C ATOM 0 H ILE A 110 4.980 -7.632 4.554 1.00 0.00 H new ATOM 0 HA ILE A 110 3.785 -10.269 5.108 1.00 0.00 H new ATOM 0 HB ILE A 110 3.629 -10.535 2.623 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.158 -7.549 2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.339 -8.766 2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.628 -9.098 2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.677 -9.898 3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.124 -8.181 3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.229 -7.860 0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.844 -9.587 0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.645 -8.351 0.765 1.00 0.00 H new ATOM 1461 N SER A 111 5.898 -11.470 4.706 1.00 0.00 N ATOM 1462 CA SER A 111 7.152 -12.190 4.577 1.00 0.00 C ATOM 1463 C SER A 111 7.100 -13.150 3.392 1.00 0.00 C ATOM 1464 O SER A 111 6.088 -13.816 3.170 1.00 0.00 O ATOM 1465 CB SER A 111 7.435 -12.954 5.868 1.00 0.00 C ATOM 1466 OG SER A 111 7.087 -12.172 7.002 1.00 0.00 O ATOM 0 H SER A 111 5.170 -11.982 5.204 1.00 0.00 H new ATOM 0 HA SER A 111 7.956 -11.475 4.399 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.870 -13.886 5.876 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.491 -13.221 5.914 1.00 0.00 H new ATOM 0 HG SER A 111 7.274 -12.680 7.819 1.00 0.00 H new ATOM 1472 N PHE A 112 8.182 -13.202 2.629 1.00 0.00 N ATOM 1473 CA PHE A 112 8.264 -14.082 1.469 1.00 0.00 C ATOM 1474 C PHE A 112 8.800 -15.448 1.880 1.00 0.00 C ATOM 1475 O PHE A 112 9.552 -15.559 2.851 1.00 0.00 O ATOM 1476 CB PHE A 112 9.171 -13.472 0.396 1.00 0.00 C ATOM 1477 CG PHE A 112 8.697 -12.140 -0.108 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.756 -12.065 -1.123 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.193 -10.965 0.430 1.00 0.00 C ATOM 1480 CE1 PHE A 112 7.319 -10.840 -1.591 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.760 -9.740 -0.034 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.821 -9.678 -1.046 1.00 0.00 C ATOM 0 H PHE A 112 9.020 -12.643 2.792 1.00 0.00 H new ATOM 0 HA PHE A 112 7.262 -14.201 1.057 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.176 -13.360 0.803 1.00 0.00 H new ATOM 0 HB3 PHE A 112 9.242 -14.164 -0.443 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.360 -12.973 -1.553 1.00 0.00 H new ATOM 0 HD2 PHE A 112 9.927 -11.008 1.221 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.585 -10.794 -2.382 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.155 -8.830 0.393 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.481 -8.720 -1.410 1.00 0.00 H new ATOM 1492 N ASN A 113 8.415 -16.488 1.150 1.00 0.00 N ATOM 1493 CA ASN A 113 8.875 -17.837 1.460 1.00 0.00 C ATOM 1494 C ASN A 113 10.165 -18.139 0.711 1.00 0.00 C ATOM 1495 O ASN A 113 11.024 -18.854 1.269 1.00 0.00 O ATOM 1496 CB ASN A 113 7.797 -18.888 1.141 1.00 0.00 C ATOM 1497 CG ASN A 113 7.804 -19.357 -0.303 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.551 -20.263 -0.676 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.945 -18.770 -1.118 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.329 -17.633 -0.421 1.00 0.00 O ATOM 0 H ASN A 113 7.791 -16.425 0.346 1.00 0.00 H new ATOM 0 HA ASN A 113 9.073 -17.888 2.531 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.939 -19.750 1.793 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.817 -18.471 1.373 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.884 -19.064 -2.093 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.343 -18.023 -0.772 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 4.270 6.170 4.259 1.00 20.00 O HETATM 1509 C8A FLN A 114 4.989 7.280 3.836 1.00 20.00 C HETATM 1510 C4A FLN A 114 5.240 7.529 2.474 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.719 6.567 1.464 1.00 20.00 C HETATM 1512 C3 FLN A 114 3.971 5.420 1.984 1.00 20.00 C HETATM 1513 C2 FLN A 114 3.775 5.263 3.324 1.00 20.00 C HETATM 1514 C1' FLN A 114 3.053 4.187 4.097 1.00 20.00 C HETATM 1515 C2' FLN A 114 3.681 2.977 4.398 1.00 20.00 C HETATM 1516 C3' FLN A 114 2.992 1.995 5.119 1.00 20.00 C HETATM 1517 C4' FLN A 114 1.673 2.167 5.572 1.00 20.00 C HETATM 1518 C5' FLN A 114 1.082 3.395 5.247 1.00 20.00 C HETATM 1519 C6' FLN A 114 1.743 4.389 4.531 1.00 20.00 C HETATM 1520 O4 FLN A 114 4.913 6.740 0.256 1.00 20.00 O HETATM 1521 C5 FLN A 114 5.978 8.684 2.109 1.00 20.00 C HETATM 1522 C6 FLN A 114 6.444 9.559 3.108 1.00 20.00 C HETATM 1523 C7 FLN A 114 6.174 9.274 4.463 1.00 20.00 C HETATM 1524 C8 FLN A 114 5.446 8.139 4.830 1.00 20.00 C HETATM 0 H8 FLN A 114 5.239 7.930 5.880 1.00 20.00 H new HETATM 0 H7 FLN A 114 6.539 9.950 5.236 1.00 20.00 H new HETATM 0 H6' FLN A 114 1.235 5.328 4.309 1.00 20.00 H new HETATM 0 H6 FLN A 114 7.009 10.450 2.837 1.00 20.00 H new HETATM 0 H5' FLN A 114 0.058 3.581 5.570 1.00 20.00 H new HETATM 0 H5 FLN A 114 6.183 8.893 1.059 1.00 20.00 H new HETATM 0 H4' FLN A 114 1.146 1.398 6.137 1.00 20.00 H new HETATM 0 H3' FLN A 114 3.501 1.056 5.339 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.566 4.683 1.291 1.00 20.00 H new HETATM 0 H2' FLN A 114 4.706 2.797 4.072 1.00 20.00 H new