USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 596 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= -0.598 (180deg=-2.16!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.575 K(o=-0.58,f=-6!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -2.45! X(o=-2.4!,f=-2) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 47 THR OG1 : rot -45:sc= 0.0255 USER MOD Single : A 50 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.6!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 53:sc= -6.67! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN :FLIP amide:sc= -1.44! C(o=-2.2!,f=-1.4!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.357 17.406 7.645 1.00 0.00 N ATOM 2 CA MET A 1 -21.774 17.999 8.947 1.00 0.00 C ATOM 3 C MET A 1 -21.174 17.185 10.098 1.00 0.00 C ATOM 4 O MET A 1 -20.090 17.467 10.568 1.00 0.00 O ATOM 5 CB MET A 1 -23.304 17.985 9.055 1.00 0.00 C ATOM 6 CG MET A 1 -23.867 16.792 8.281 1.00 0.00 C ATOM 7 SD MET A 1 -25.317 16.143 9.147 1.00 0.00 S ATOM 8 CE MET A 1 -24.967 14.386 8.890 1.00 0.00 C ATOM 0 H1 MET A 1 -22.016 17.708 6.899 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.396 17.727 7.409 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.367 16.369 7.717 1.00 0.00 H new ATOM 0 HA MET A 1 -21.417 19.027 9.004 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.603 17.925 10.101 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.714 18.914 8.659 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.139 17.096 7.270 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.108 16.015 8.187 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.752 13.787 9.352 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.931 14.175 7.821 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.007 14.136 9.341 1.00 0.00 H new ATOM 20 N SER A 2 -21.871 16.180 10.554 1.00 0.00 N ATOM 21 CA SER A 2 -21.340 15.351 11.675 1.00 0.00 C ATOM 22 C SER A 2 -19.970 14.788 11.296 1.00 0.00 C ATOM 23 O SER A 2 -19.054 14.768 12.094 1.00 0.00 O ATOM 24 CB SER A 2 -22.304 14.198 11.957 1.00 0.00 C ATOM 25 OG SER A 2 -21.922 13.553 13.166 1.00 0.00 O ATOM 0 H SER A 2 -22.785 15.897 10.200 1.00 0.00 H new ATOM 0 HA SER A 2 -21.241 15.971 12.566 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.324 14.573 12.038 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.290 13.487 11.131 1.00 0.00 H new ATOM 0 HG SER A 2 -22.538 12.814 13.351 1.00 0.00 H new ATOM 31 N ARG A 3 -19.820 14.326 10.085 1.00 0.00 N ATOM 32 CA ARG A 3 -18.507 13.762 9.661 1.00 0.00 C ATOM 33 C ARG A 3 -18.248 12.460 10.422 1.00 0.00 C ATOM 34 O ARG A 3 -17.321 12.358 11.200 1.00 0.00 O ATOM 35 CB ARG A 3 -17.393 14.764 9.972 1.00 0.00 C ATOM 36 CG ARG A 3 -16.160 14.437 9.127 1.00 0.00 C ATOM 37 CD ARG A 3 -14.909 14.490 10.005 1.00 0.00 C ATOM 38 NE ARG A 3 -13.726 14.046 9.213 1.00 0.00 N ATOM 39 CZ ARG A 3 -12.736 14.871 9.002 1.00 0.00 C ATOM 40 NH1 ARG A 3 -12.519 15.336 7.802 1.00 0.00 N ATOM 41 NH2 ARG A 3 -11.963 15.230 9.990 1.00 0.00 N ATOM 0 H ARG A 3 -20.549 14.315 9.371 1.00 0.00 H new ATOM 0 HA ARG A 3 -18.525 13.564 8.589 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.733 15.778 9.761 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -17.141 14.726 11.032 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -16.263 13.447 8.682 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -16.071 15.148 8.305 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.753 15.504 10.374 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -15.037 13.850 10.878 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.690 13.099 8.836 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.123 15.055 7.029 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -11.746 15.980 7.637 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.132 14.866 10.928 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -11.190 15.874 9.824 1.00 0.00 H new ATOM 55 N SER A 4 -19.063 11.464 10.204 1.00 0.00 N ATOM 56 CA SER A 4 -18.866 10.170 10.916 1.00 0.00 C ATOM 57 C SER A 4 -19.284 9.017 9.998 1.00 0.00 C ATOM 58 O SER A 4 -20.027 9.216 9.058 1.00 0.00 O ATOM 59 CB SER A 4 -19.724 10.153 12.181 1.00 0.00 C ATOM 60 OG SER A 4 -21.098 10.124 11.815 1.00 0.00 O ATOM 0 H SER A 4 -19.857 11.491 9.564 1.00 0.00 H new ATOM 0 HA SER A 4 -17.816 10.056 11.187 1.00 0.00 H new ATOM 0 HB2 SER A 4 -19.479 9.282 12.789 1.00 0.00 H new ATOM 0 HB3 SER A 4 -19.516 11.034 12.788 1.00 0.00 H new ATOM 0 HG SER A 4 -21.652 10.111 12.623 1.00 0.00 H new ATOM 66 N PRO A 5 -18.793 7.842 10.302 1.00 0.00 N ATOM 67 CA PRO A 5 -19.098 6.630 9.521 1.00 0.00 C ATOM 68 C PRO A 5 -20.502 6.118 9.852 1.00 0.00 C ATOM 69 O PRO A 5 -21.039 6.387 10.909 1.00 0.00 O ATOM 70 CB PRO A 5 -18.030 5.631 9.975 1.00 0.00 C ATOM 71 CG PRO A 5 -17.544 6.114 11.362 1.00 0.00 C ATOM 72 CD PRO A 5 -17.891 7.612 11.450 1.00 0.00 C ATOM 0 HA PRO A 5 -19.085 6.800 8.444 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -18.441 4.623 10.037 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -17.204 5.595 9.265 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -18.032 5.555 12.160 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -16.471 5.957 11.473 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -18.379 7.853 12.394 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -16.997 8.233 11.385 1.00 0.00 H new ATOM 80 N ASP A 6 -21.099 5.384 8.956 1.00 0.00 N ATOM 81 CA ASP A 6 -22.466 4.855 9.216 1.00 0.00 C ATOM 82 C ASP A 6 -22.961 4.107 7.977 1.00 0.00 C ATOM 83 O ASP A 6 -22.227 3.899 7.031 1.00 0.00 O ATOM 84 CB ASP A 6 -23.413 6.018 9.521 1.00 0.00 C ATOM 85 CG ASP A 6 -24.164 5.736 10.824 1.00 0.00 C ATOM 86 OD1 ASP A 6 -24.803 4.699 10.904 1.00 0.00 O ATOM 87 OD2 ASP A 6 -24.088 6.561 11.720 1.00 0.00 O ATOM 0 H ASP A 6 -20.699 5.127 8.054 1.00 0.00 H new ATOM 0 HA ASP A 6 -22.440 4.176 10.068 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -22.849 6.947 9.607 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -24.120 6.149 8.702 1.00 0.00 H new ATOM 92 N ALA A 7 -24.199 3.700 7.972 1.00 0.00 N ATOM 93 CA ALA A 7 -24.735 2.967 6.791 1.00 0.00 C ATOM 94 C ALA A 7 -24.753 3.902 5.580 1.00 0.00 C ATOM 95 O ALA A 7 -24.181 4.974 5.605 1.00 0.00 O ATOM 96 CB ALA A 7 -26.157 2.489 7.088 1.00 0.00 C ATOM 0 H ALA A 7 -24.863 3.843 8.733 1.00 0.00 H new ATOM 0 HA ALA A 7 -24.101 2.106 6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -26.549 1.953 6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -26.145 1.825 7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -26.793 3.348 7.300 1.00 0.00 H new ATOM 102 N LYS A 8 -25.405 3.508 4.520 1.00 0.00 N ATOM 103 CA LYS A 8 -25.455 4.379 3.313 1.00 0.00 C ATOM 104 C LYS A 8 -24.046 4.535 2.738 1.00 0.00 C ATOM 105 O LYS A 8 -23.102 3.930 3.208 1.00 0.00 O ATOM 106 CB LYS A 8 -26.002 5.755 3.699 1.00 0.00 C ATOM 107 CG LYS A 8 -27.289 6.031 2.917 1.00 0.00 C ATOM 108 CD LYS A 8 -27.911 7.340 3.405 1.00 0.00 C ATOM 109 CE LYS A 8 -29.385 7.109 3.743 1.00 0.00 C ATOM 110 NZ LYS A 8 -30.235 7.966 2.868 1.00 0.00 N ATOM 0 H LYS A 8 -25.904 2.622 4.438 1.00 0.00 H new ATOM 0 HA LYS A 8 -26.105 3.926 2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -26.200 5.792 4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -25.261 6.526 3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -27.073 6.094 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -27.992 5.209 3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -27.378 7.703 4.284 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -27.819 8.108 2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -29.641 6.059 3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -29.570 7.344 4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -31.237 7.810 3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -29.996 8.966 3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -30.065 7.721 1.872 1.00 0.00 H new ATOM 124 N GLU A 9 -23.895 5.343 1.724 1.00 0.00 N ATOM 125 CA GLU A 9 -22.548 5.540 1.119 1.00 0.00 C ATOM 126 C GLU A 9 -22.081 4.236 0.471 1.00 0.00 C ATOM 127 O GLU A 9 -22.720 3.208 0.586 1.00 0.00 O ATOM 128 CB GLU A 9 -21.553 5.954 2.206 1.00 0.00 C ATOM 129 CG GLU A 9 -20.776 7.188 1.740 1.00 0.00 C ATOM 130 CD GLU A 9 -20.303 7.985 2.958 1.00 0.00 C ATOM 131 OE1 GLU A 9 -19.665 7.395 3.815 1.00 0.00 O ATOM 132 OE2 GLU A 9 -20.588 9.169 3.012 1.00 0.00 O ATOM 0 H GLU A 9 -24.648 5.876 1.288 1.00 0.00 H new ATOM 0 HA GLU A 9 -22.604 6.322 0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -22.081 6.172 3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -20.865 5.135 2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -19.921 6.885 1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -21.408 7.811 1.108 1.00 0.00 H new ATOM 139 N ASP A 10 -20.969 4.269 -0.211 1.00 0.00 N ATOM 140 CA ASP A 10 -20.456 3.033 -0.868 1.00 0.00 C ATOM 141 C ASP A 10 -18.922 3.066 -0.889 1.00 0.00 C ATOM 142 O ASP A 10 -18.332 3.710 -1.734 1.00 0.00 O ATOM 143 CB ASP A 10 -20.982 2.964 -2.304 1.00 0.00 C ATOM 144 CG ASP A 10 -20.815 1.540 -2.839 1.00 0.00 C ATOM 145 OD1 ASP A 10 -20.534 0.658 -2.044 1.00 0.00 O ATOM 146 OD2 ASP A 10 -20.970 1.355 -4.035 1.00 0.00 O ATOM 0 H ASP A 10 -20.392 5.100 -0.342 1.00 0.00 H new ATOM 0 HA ASP A 10 -20.795 2.158 -0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -22.032 3.254 -2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -20.440 3.668 -2.936 1.00 0.00 H new ATOM 151 N PRO A 11 -18.321 2.370 0.045 1.00 0.00 N ATOM 152 CA PRO A 11 -16.853 2.302 0.163 1.00 0.00 C ATOM 153 C PRO A 11 -16.268 1.347 -0.884 1.00 0.00 C ATOM 154 O PRO A 11 -16.953 0.897 -1.781 1.00 0.00 O ATOM 155 CB PRO A 11 -16.630 1.762 1.578 1.00 0.00 C ATOM 156 CG PRO A 11 -17.935 1.033 1.977 1.00 0.00 C ATOM 157 CD PRO A 11 -19.046 1.589 1.067 1.00 0.00 C ATOM 0 HA PRO A 11 -16.368 3.264 -0.004 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -15.780 1.080 1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.410 2.572 2.273 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -17.832 -0.044 1.848 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -18.171 1.207 3.027 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -19.629 0.787 0.615 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -19.743 2.214 1.626 1.00 0.00 H new ATOM 165 N VAL A 12 -15.004 1.040 -0.774 1.00 0.00 N ATOM 166 CA VAL A 12 -14.371 0.119 -1.761 1.00 0.00 C ATOM 167 C VAL A 12 -14.203 -1.266 -1.130 1.00 0.00 C ATOM 168 O VAL A 12 -14.821 -1.582 -0.133 1.00 0.00 O ATOM 169 CB VAL A 12 -13.000 0.670 -2.170 1.00 0.00 C ATOM 170 CG1 VAL A 12 -12.677 0.229 -3.598 1.00 0.00 C ATOM 171 CG2 VAL A 12 -13.021 2.200 -2.107 1.00 0.00 C ATOM 0 H VAL A 12 -14.382 1.387 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.005 0.040 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.241 0.287 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.702 0.621 -3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.660 -0.860 -3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.439 0.611 -4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.045 2.590 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.782 2.582 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.250 2.519 -1.090 1.00 0.00 H new ATOM 181 N GLU A 13 -13.373 -2.095 -1.703 1.00 0.00 N ATOM 182 CA GLU A 13 -13.172 -3.456 -1.134 1.00 0.00 C ATOM 183 C GLU A 13 -11.802 -3.992 -1.558 1.00 0.00 C ATOM 184 O GLU A 13 -11.447 -3.968 -2.720 1.00 0.00 O ATOM 185 CB GLU A 13 -14.267 -4.392 -1.652 1.00 0.00 C ATOM 186 CG GLU A 13 -15.349 -4.551 -0.585 1.00 0.00 C ATOM 187 CD GLU A 13 -16.724 -4.600 -1.255 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.823 -5.194 -2.317 1.00 0.00 O ATOM 189 OE2 GLU A 13 -17.654 -4.042 -0.696 1.00 0.00 O ATOM 0 H GLU A 13 -12.827 -1.888 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.221 -3.404 -0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.701 -3.990 -2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.841 -5.364 -1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.179 -5.463 -0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.305 -3.720 0.119 1.00 0.00 H new ATOM 196 N CYS A 14 -11.031 -4.478 -0.624 1.00 0.00 N ATOM 197 CA CYS A 14 -9.686 -5.018 -0.969 1.00 0.00 C ATOM 198 C CYS A 14 -9.794 -5.908 -2.214 1.00 0.00 C ATOM 199 O CYS A 14 -10.364 -6.978 -2.150 1.00 0.00 O ATOM 200 CB CYS A 14 -9.161 -5.855 0.199 1.00 0.00 C ATOM 201 SG CYS A 14 -7.355 -5.939 0.113 1.00 0.00 S ATOM 0 H CYS A 14 -11.275 -4.524 0.365 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.005 -4.191 -1.168 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.471 -5.413 1.146 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.585 -6.858 0.162 1.00 0.00 H new ATOM 206 N PRO A 15 -9.240 -5.447 -3.308 1.00 0.00 N ATOM 207 CA PRO A 15 -9.258 -6.197 -4.576 1.00 0.00 C ATOM 208 C PRO A 15 -8.193 -7.299 -4.551 1.00 0.00 C ATOM 209 O PRO A 15 -8.023 -8.035 -5.503 1.00 0.00 O ATOM 210 CB PRO A 15 -8.920 -5.136 -5.626 1.00 0.00 C ATOM 211 CG PRO A 15 -8.182 -4.001 -4.876 1.00 0.00 C ATOM 212 CD PRO A 15 -8.551 -4.142 -3.388 1.00 0.00 C ATOM 0 HA PRO A 15 -10.209 -6.692 -4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.292 -5.554 -6.413 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.825 -4.761 -6.105 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.104 -4.081 -5.017 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.482 -3.025 -5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.665 -4.120 -2.754 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.198 -3.329 -3.059 1.00 0.00 H new ATOM 220 N LEU A 16 -7.475 -7.414 -3.467 1.00 0.00 N ATOM 221 CA LEU A 16 -6.419 -8.459 -3.373 1.00 0.00 C ATOM 222 C LEU A 16 -6.953 -9.658 -2.589 1.00 0.00 C ATOM 223 O LEU A 16 -6.519 -10.778 -2.772 1.00 0.00 O ATOM 224 CB LEU A 16 -5.207 -7.878 -2.649 1.00 0.00 C ATOM 225 CG LEU A 16 -4.782 -6.589 -3.348 1.00 0.00 C ATOM 226 CD1 LEU A 16 -4.990 -5.404 -2.405 1.00 0.00 C ATOM 227 CD2 LEU A 16 -3.307 -6.690 -3.732 1.00 0.00 C ATOM 0 H LEU A 16 -7.576 -6.826 -2.640 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.132 -8.782 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.452 -7.678 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.387 -8.596 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.383 -6.442 -4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.686 -4.484 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.043 -5.338 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.389 -5.544 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.997 -5.772 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.706 -6.835 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.163 -7.536 -4.405 1.00 0.00 H new ATOM 239 N CYS A 17 -7.897 -9.429 -1.720 1.00 0.00 N ATOM 240 CA CYS A 17 -8.468 -10.551 -0.924 1.00 0.00 C ATOM 241 C CYS A 17 -9.989 -10.390 -0.860 1.00 0.00 C ATOM 242 O CYS A 17 -10.662 -11.030 -0.078 1.00 0.00 O ATOM 243 CB CYS A 17 -7.877 -10.533 0.491 1.00 0.00 C ATOM 244 SG CYS A 17 -8.613 -9.187 1.454 1.00 0.00 S ATOM 0 H CYS A 17 -8.299 -8.512 -1.526 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.222 -11.503 -1.394 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.063 -11.487 0.984 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.796 -10.406 0.441 1.00 0.00 H new ATOM 249 N MET A 18 -10.529 -9.531 -1.680 1.00 0.00 N ATOM 250 CA MET A 18 -12.000 -9.313 -1.679 1.00 0.00 C ATOM 251 C MET A 18 -12.489 -9.121 -0.243 1.00 0.00 C ATOM 252 O MET A 18 -12.890 -10.057 0.420 1.00 0.00 O ATOM 253 CB MET A 18 -12.701 -10.521 -2.305 1.00 0.00 C ATOM 254 CG MET A 18 -14.047 -10.085 -2.889 1.00 0.00 C ATOM 255 SD MET A 18 -14.072 -10.419 -4.667 1.00 0.00 S ATOM 256 CE MET A 18 -13.264 -8.889 -5.196 1.00 0.00 C ATOM 0 H MET A 18 -10.010 -8.968 -2.354 1.00 0.00 H new ATOM 0 HA MET A 18 -12.233 -8.422 -2.261 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.076 -10.952 -3.087 1.00 0.00 H new ATOM 0 HB3 MET A 18 -12.853 -11.296 -1.554 1.00 0.00 H new ATOM 0 HG2 MET A 18 -14.859 -10.620 -2.397 1.00 0.00 H new ATOM 0 HG3 MET A 18 -14.208 -9.023 -2.706 1.00 0.00 H new ATOM 0 HE1 MET A 18 -13.174 -8.882 -6.282 1.00 0.00 H new ATOM 0 HE2 MET A 18 -13.859 -8.034 -4.876 1.00 0.00 H new ATOM 0 HE3 MET A 18 -12.272 -8.828 -4.749 1.00 0.00 H new ATOM 266 N GLU A 19 -12.461 -7.909 0.241 1.00 0.00 N ATOM 267 CA GLU A 19 -12.925 -7.648 1.632 1.00 0.00 C ATOM 268 C GLU A 19 -13.511 -6.235 1.715 1.00 0.00 C ATOM 269 O GLU A 19 -13.270 -5.413 0.852 1.00 0.00 O ATOM 270 CB GLU A 19 -11.744 -7.769 2.595 1.00 0.00 C ATOM 271 CG GLU A 19 -11.671 -9.199 3.134 1.00 0.00 C ATOM 272 CD GLU A 19 -11.174 -9.174 4.581 1.00 0.00 C ATOM 273 OE1 GLU A 19 -11.268 -8.126 5.200 1.00 0.00 O ATOM 274 OE2 GLU A 19 -10.712 -10.202 5.046 1.00 0.00 O ATOM 0 H GLU A 19 -12.136 -7.087 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.689 -8.376 1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.816 -7.514 2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.858 -7.064 3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.653 -9.669 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.000 -9.797 2.518 1.00 0.00 H new ATOM 281 N PRO A 20 -14.269 -5.997 2.754 1.00 0.00 N ATOM 282 CA PRO A 20 -14.916 -4.694 2.985 1.00 0.00 C ATOM 283 C PRO A 20 -13.915 -3.688 3.559 1.00 0.00 C ATOM 284 O PRO A 20 -13.390 -3.866 4.639 1.00 0.00 O ATOM 285 CB PRO A 20 -16.012 -5.013 4.006 1.00 0.00 C ATOM 286 CG PRO A 20 -15.578 -6.318 4.718 1.00 0.00 C ATOM 287 CD PRO A 20 -14.555 -7.006 3.795 1.00 0.00 C ATOM 0 HA PRO A 20 -15.306 -4.244 2.072 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -16.125 -4.199 4.722 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.976 -5.141 3.514 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.137 -6.100 5.691 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.436 -6.966 4.896 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.652 -7.284 4.339 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.961 -7.920 3.362 1.00 0.00 H new ATOM 295 N LEU A 21 -13.649 -2.628 2.844 1.00 0.00 N ATOM 296 CA LEU A 21 -12.689 -1.609 3.350 1.00 0.00 C ATOM 297 C LEU A 21 -13.422 -0.644 4.284 1.00 0.00 C ATOM 298 O LEU A 21 -14.553 -0.874 4.664 1.00 0.00 O ATOM 299 CB LEU A 21 -12.102 -0.832 2.170 1.00 0.00 C ATOM 300 CG LEU A 21 -11.037 -1.683 1.478 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.854 -1.202 0.038 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.713 -1.548 2.233 1.00 0.00 C ATOM 0 H LEU A 21 -14.056 -2.425 1.931 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.884 -2.103 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.890 -0.572 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.665 0.104 2.518 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.351 -2.727 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.095 -1.809 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.798 -1.295 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.539 -0.159 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.951 -2.154 1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.400 -0.504 2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.843 -1.890 3.260 1.00 0.00 H new ATOM 314 N GLU A 22 -12.791 0.436 4.656 1.00 0.00 N ATOM 315 CA GLU A 22 -13.459 1.411 5.563 1.00 0.00 C ATOM 316 C GLU A 22 -12.676 2.726 5.570 1.00 0.00 C ATOM 317 O GLU A 22 -12.057 3.097 4.593 1.00 0.00 O ATOM 318 CB GLU A 22 -13.517 0.834 6.980 1.00 0.00 C ATOM 319 CG GLU A 22 -12.100 0.698 7.540 1.00 0.00 C ATOM 320 CD GLU A 22 -12.147 -0.086 8.853 1.00 0.00 C ATOM 321 OE1 GLU A 22 -12.888 0.317 9.734 1.00 0.00 O ATOM 322 OE2 GLU A 22 -11.441 -1.076 8.954 1.00 0.00 O ATOM 0 H GLU A 22 -11.844 0.685 4.372 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.473 1.600 5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.112 1.483 7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.008 -0.139 6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.460 0.187 6.821 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.667 1.684 7.707 1.00 0.00 H new ATOM 329 N ILE A 23 -12.702 3.440 6.664 1.00 0.00 N ATOM 330 CA ILE A 23 -11.964 4.732 6.731 1.00 0.00 C ATOM 331 C ILE A 23 -10.490 4.468 7.058 1.00 0.00 C ATOM 332 O ILE A 23 -9.600 5.023 6.447 1.00 0.00 O ATOM 333 CB ILE A 23 -12.589 5.615 7.818 1.00 0.00 C ATOM 334 CG1 ILE A 23 -13.889 6.226 7.292 1.00 0.00 C ATOM 335 CG2 ILE A 23 -11.622 6.740 8.198 1.00 0.00 C ATOM 336 CD1 ILE A 23 -15.001 5.175 7.325 1.00 0.00 C ATOM 0 H ILE A 23 -13.203 3.183 7.514 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.028 5.241 5.769 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.796 5.005 8.697 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.170 7.086 7.899 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.747 6.588 6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.074 7.362 8.970 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.694 6.310 8.575 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.409 7.349 7.320 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -15.926 5.612 6.950 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.720 4.328 6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -15.150 4.835 8.350 1.00 0.00 H new ATOM 348 N ASP A 24 -10.227 3.632 8.025 1.00 0.00 N ATOM 349 CA ASP A 24 -8.812 3.343 8.396 1.00 0.00 C ATOM 350 C ASP A 24 -8.216 2.313 7.432 1.00 0.00 C ATOM 351 O ASP A 24 -7.090 1.883 7.594 1.00 0.00 O ATOM 352 CB ASP A 24 -8.764 2.790 9.822 1.00 0.00 C ATOM 353 CG ASP A 24 -7.731 3.570 10.638 1.00 0.00 C ATOM 354 OD1 ASP A 24 -6.778 4.050 10.045 1.00 0.00 O ATOM 355 OD2 ASP A 24 -7.911 3.674 11.839 1.00 0.00 O ATOM 0 H ASP A 24 -10.930 3.137 8.574 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.233 4.264 8.337 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.746 2.870 10.288 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.505 1.731 9.804 1.00 0.00 H new ATOM 360 N ASP A 25 -8.952 1.908 6.434 1.00 0.00 N ATOM 361 CA ASP A 25 -8.409 0.904 5.474 1.00 0.00 C ATOM 362 C ASP A 25 -8.336 1.515 4.072 1.00 0.00 C ATOM 363 O ASP A 25 -7.552 1.096 3.244 1.00 0.00 O ATOM 364 CB ASP A 25 -9.318 -0.326 5.451 1.00 0.00 C ATOM 365 CG ASP A 25 -9.418 -0.916 6.859 1.00 0.00 C ATOM 366 OD1 ASP A 25 -8.737 -0.416 7.740 1.00 0.00 O ATOM 367 OD2 ASP A 25 -10.175 -1.857 7.033 1.00 0.00 O ATOM 0 H ASP A 25 -9.902 2.227 6.242 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.408 0.609 5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.309 -0.052 5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.922 -1.071 4.761 1.00 0.00 H new ATOM 372 N ILE A 26 -9.146 2.501 3.798 1.00 0.00 N ATOM 373 CA ILE A 26 -9.118 3.134 2.447 1.00 0.00 C ATOM 374 C ILE A 26 -7.827 3.946 2.295 1.00 0.00 C ATOM 375 O ILE A 26 -7.264 4.040 1.222 1.00 0.00 O ATOM 376 CB ILE A 26 -10.341 4.047 2.294 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.560 3.197 1.932 1.00 0.00 C ATOM 378 CG2 ILE A 26 -10.099 5.076 1.184 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.818 4.067 1.961 1.00 0.00 C ATOM 0 H ILE A 26 -9.825 2.896 4.449 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.147 2.367 1.673 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.514 4.571 3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.430 2.760 0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.661 2.370 2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.975 5.718 1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.230 5.684 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.920 4.559 0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.686 3.460 1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.950 4.483 2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.716 4.879 1.241 1.00 0.00 H new ATOM 391 N ASN A 27 -7.354 4.531 3.360 1.00 0.00 N ATOM 392 CA ASN A 27 -6.101 5.335 3.276 1.00 0.00 C ATOM 393 C ASN A 27 -4.900 4.431 3.551 1.00 0.00 C ATOM 394 O ASN A 27 -3.790 4.895 3.718 1.00 0.00 O ATOM 395 CB ASN A 27 -6.148 6.457 4.313 1.00 0.00 C ATOM 396 CG ASN A 27 -7.320 7.388 4.000 1.00 0.00 C ATOM 397 OD1 ASN A 27 -8.258 7.000 3.332 1.00 0.00 O ATOM 398 ND2 ASN A 27 -7.306 8.610 4.456 1.00 0.00 N ATOM 0 H ASN A 27 -7.780 4.488 4.286 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.008 5.767 2.280 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.259 6.038 5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.212 7.016 4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.082 9.239 4.252 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.519 8.936 5.017 1.00 0.00 H new ATOM 405 N PHE A 28 -5.104 3.143 3.579 1.00 0.00 N ATOM 406 CA PHE A 28 -3.962 2.224 3.823 1.00 0.00 C ATOM 407 C PHE A 28 -3.054 2.287 2.598 1.00 0.00 C ATOM 408 O PHE A 28 -3.496 2.096 1.484 1.00 0.00 O ATOM 409 CB PHE A 28 -4.479 0.796 4.010 1.00 0.00 C ATOM 410 CG PHE A 28 -3.398 -0.056 4.630 1.00 0.00 C ATOM 411 CD1 PHE A 28 -2.178 -0.232 3.967 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.614 -0.668 5.871 1.00 0.00 C ATOM 413 CE1 PHE A 28 -1.175 -1.021 4.542 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.612 -1.457 6.447 1.00 0.00 C ATOM 415 CZ PHE A 28 -1.393 -1.633 5.783 1.00 0.00 C ATOM 0 H PHE A 28 -6.008 2.691 3.444 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.418 2.515 4.722 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.364 0.799 4.647 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.779 0.378 3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.010 0.241 3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.555 -0.531 6.384 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.234 -1.158 4.030 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.779 -1.930 7.403 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.619 -2.241 6.228 1.00 0.00 H new ATOM 425 N PHE A 29 -1.799 2.588 2.777 1.00 0.00 N ATOM 426 CA PHE A 29 -0.911 2.694 1.589 1.00 0.00 C ATOM 427 C PHE A 29 0.228 1.681 1.643 1.00 0.00 C ATOM 428 O PHE A 29 1.233 1.913 2.285 1.00 0.00 O ATOM 429 CB PHE A 29 -0.322 4.099 1.522 1.00 0.00 C ATOM 430 CG PHE A 29 -1.058 4.868 0.462 1.00 0.00 C ATOM 431 CD1 PHE A 29 -2.325 5.389 0.743 1.00 0.00 C ATOM 432 CD2 PHE A 29 -0.485 5.047 -0.802 1.00 0.00 C ATOM 433 CE1 PHE A 29 -3.028 6.093 -0.236 1.00 0.00 C ATOM 434 CE2 PHE A 29 -1.187 5.756 -1.788 1.00 0.00 C ATOM 435 CZ PHE A 29 -2.460 6.279 -1.505 1.00 0.00 C ATOM 0 H PHE A 29 -1.356 2.763 3.679 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.511 2.486 0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.416 4.597 2.487 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.742 4.054 1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.761 5.246 1.721 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.493 4.641 -1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.007 6.493 -0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.749 5.900 -2.765 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.001 6.824 -2.264 1.00 0.00 H new ATOM 445 N PRO A 30 0.057 0.604 0.923 1.00 0.00 N ATOM 446 CA PRO A 30 1.080 -0.437 0.824 1.00 0.00 C ATOM 447 C PRO A 30 2.129 0.029 -0.182 1.00 0.00 C ATOM 448 O PRO A 30 3.313 -0.019 0.064 1.00 0.00 O ATOM 449 CB PRO A 30 0.316 -1.652 0.294 1.00 0.00 C ATOM 450 CG PRO A 30 -0.943 -1.094 -0.413 1.00 0.00 C ATOM 451 CD PRO A 30 -1.170 0.321 0.149 1.00 0.00 C ATOM 0 HA PRO A 30 1.591 -0.660 1.761 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.930 -2.226 -0.400 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.041 -2.324 1.107 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.800 -1.064 -1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.808 -1.730 -0.224 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.314 1.049 -0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.058 0.361 0.780 1.00 0.00 H new ATOM 459 N CYS A 31 1.687 0.505 -1.314 1.00 0.00 N ATOM 460 CA CYS A 31 2.638 0.997 -2.345 1.00 0.00 C ATOM 461 C CYS A 31 2.437 2.499 -2.553 1.00 0.00 C ATOM 462 O CYS A 31 1.406 3.049 -2.215 1.00 0.00 O ATOM 463 CB CYS A 31 2.385 0.262 -3.658 1.00 0.00 C ATOM 464 SG CYS A 31 3.414 0.983 -4.956 1.00 0.00 S ATOM 0 H CYS A 31 0.702 0.574 -1.568 1.00 0.00 H new ATOM 0 HA CYS A 31 3.660 0.812 -2.015 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.613 -0.798 -3.544 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.332 0.334 -3.931 1.00 0.00 H new ATOM 469 N THR A 32 3.418 3.171 -3.095 1.00 0.00 N ATOM 470 CA THR A 32 3.286 4.639 -3.311 1.00 0.00 C ATOM 471 C THR A 32 2.663 4.925 -4.682 1.00 0.00 C ATOM 472 O THR A 32 2.760 6.023 -5.191 1.00 0.00 O ATOM 473 CB THR A 32 4.671 5.289 -3.240 1.00 0.00 C ATOM 474 OG1 THR A 32 5.606 4.357 -2.714 1.00 0.00 O ATOM 475 CG2 THR A 32 4.611 6.520 -2.335 1.00 0.00 C ATOM 0 H THR A 32 4.304 2.766 -3.397 1.00 0.00 H new ATOM 0 HA THR A 32 2.640 5.052 -2.536 1.00 0.00 H new ATOM 0 HB THR A 32 4.983 5.590 -4.240 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.493 4.772 -2.670 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.597 6.983 -2.284 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.895 7.235 -2.740 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.299 6.221 -1.334 1.00 0.00 H new ATOM 483 N CYS A 33 2.019 3.961 -5.286 1.00 0.00 N ATOM 484 CA CYS A 33 1.396 4.220 -6.617 1.00 0.00 C ATOM 485 C CYS A 33 -0.111 4.417 -6.442 1.00 0.00 C ATOM 486 O CYS A 33 -0.798 4.861 -7.340 1.00 0.00 O ATOM 487 CB CYS A 33 1.670 3.047 -7.571 1.00 0.00 C ATOM 488 SG CYS A 33 0.575 1.652 -7.195 1.00 0.00 S ATOM 0 H CYS A 33 1.898 3.016 -4.921 1.00 0.00 H new ATOM 0 HA CYS A 33 1.831 5.122 -7.047 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.520 3.367 -8.602 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.710 2.734 -7.482 1.00 0.00 H new ATOM 493 N GLY A 34 -0.628 4.097 -5.288 1.00 0.00 N ATOM 494 CA GLY A 34 -2.087 4.273 -5.050 1.00 0.00 C ATOM 495 C GLY A 34 -2.727 2.922 -4.727 1.00 0.00 C ATOM 496 O GLY A 34 -3.531 2.809 -3.823 1.00 0.00 O ATOM 0 H GLY A 34 -0.102 3.721 -4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.249 4.968 -4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.559 4.707 -5.931 1.00 0.00 H new ATOM 500 N TYR A 35 -2.385 1.895 -5.458 1.00 0.00 N ATOM 501 CA TYR A 35 -2.982 0.558 -5.182 1.00 0.00 C ATOM 502 C TYR A 35 -2.956 0.313 -3.672 1.00 0.00 C ATOM 503 O TYR A 35 -1.906 0.164 -3.077 1.00 0.00 O ATOM 504 CB TYR A 35 -2.172 -0.525 -5.897 1.00 0.00 C ATOM 505 CG TYR A 35 -3.087 -1.664 -6.286 1.00 0.00 C ATOM 506 CD1 TYR A 35 -4.269 -1.400 -6.988 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.751 -2.981 -5.951 1.00 0.00 C ATOM 508 CE1 TYR A 35 -5.117 -2.453 -7.354 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.599 -4.033 -6.316 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.781 -3.770 -7.018 1.00 0.00 C ATOM 511 OH TYR A 35 -5.617 -4.809 -7.378 1.00 0.00 O ATOM 0 H TYR A 35 -1.721 1.924 -6.231 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.009 0.526 -5.545 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.693 -0.110 -6.784 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.377 -0.889 -5.246 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.527 -0.384 -7.248 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.838 -3.185 -5.411 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.029 -2.249 -7.895 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.341 -5.049 -6.056 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.236 -5.657 -7.069 1.00 0.00 H new ATOM 521 N GLN A 36 -4.100 0.292 -3.043 1.00 0.00 N ATOM 522 CA GLN A 36 -4.134 0.082 -1.568 1.00 0.00 C ATOM 523 C GLN A 36 -4.575 -1.347 -1.246 1.00 0.00 C ATOM 524 O GLN A 36 -5.232 -2.001 -2.032 1.00 0.00 O ATOM 525 CB GLN A 36 -5.125 1.063 -0.937 1.00 0.00 C ATOM 526 CG GLN A 36 -5.152 2.365 -1.741 1.00 0.00 C ATOM 527 CD GLN A 36 -6.349 3.208 -1.302 1.00 0.00 C ATOM 528 OE1 GLN A 36 -7.470 2.739 -1.303 1.00 0.00 O ATOM 529 NE2 GLN A 36 -6.159 4.442 -0.925 1.00 0.00 N ATOM 0 H GLN A 36 -5.011 0.411 -3.486 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.135 0.249 -1.166 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.121 0.621 -0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.840 1.268 0.095 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.226 2.920 -1.587 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.219 2.146 -2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.218 4.836 -0.924 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.951 5.013 -0.631 1.00 0.00 H new ATOM 538 N ILE A 37 -4.226 -1.827 -0.083 1.00 0.00 N ATOM 539 CA ILE A 37 -4.628 -3.204 0.313 1.00 0.00 C ATOM 540 C ILE A 37 -5.203 -3.164 1.729 1.00 0.00 C ATOM 541 O ILE A 37 -5.225 -2.131 2.368 1.00 0.00 O ATOM 542 CB ILE A 37 -3.407 -4.126 0.271 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.410 -3.707 1.358 1.00 0.00 C ATOM 544 CG2 ILE A 37 -2.742 -4.020 -1.104 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.055 -4.369 1.095 1.00 0.00 C ATOM 0 H ILE A 37 -3.677 -1.321 0.612 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.382 -3.584 -0.376 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.719 -5.155 0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.301 -2.623 1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.784 -3.998 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.872 -4.675 -1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.452 -4.319 -1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.429 -2.991 -1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.348 -4.070 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.171 -5.453 1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.680 -4.056 0.120 1.00 0.00 H new ATOM 557 N CYS A 38 -5.673 -4.273 2.229 1.00 0.00 N ATOM 558 CA CYS A 38 -6.247 -4.279 3.603 1.00 0.00 C ATOM 559 C CYS A 38 -5.143 -4.604 4.612 1.00 0.00 C ATOM 560 O CYS A 38 -3.971 -4.454 4.332 1.00 0.00 O ATOM 561 CB CYS A 38 -7.368 -5.323 3.689 1.00 0.00 C ATOM 562 SG CYS A 38 -6.659 -6.988 3.719 1.00 0.00 S ATOM 0 H CYS A 38 -5.684 -5.172 1.747 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.662 -3.298 3.832 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.964 -5.156 4.586 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.039 -5.220 2.836 1.00 0.00 H new ATOM 567 N ARG A 39 -5.508 -5.046 5.784 1.00 0.00 N ATOM 568 CA ARG A 39 -4.476 -5.375 6.806 1.00 0.00 C ATOM 569 C ARG A 39 -4.008 -6.819 6.616 1.00 0.00 C ATOM 570 O ARG A 39 -2.828 -7.106 6.623 1.00 0.00 O ATOM 571 CB ARG A 39 -5.075 -5.214 8.205 1.00 0.00 C ATOM 572 CG ARG A 39 -5.460 -3.750 8.427 1.00 0.00 C ATOM 573 CD ARG A 39 -4.338 -3.036 9.182 1.00 0.00 C ATOM 574 NE ARG A 39 -4.533 -3.216 10.648 1.00 0.00 N ATOM 575 CZ ARG A 39 -4.562 -4.416 11.161 1.00 0.00 C ATOM 576 NH1 ARG A 39 -3.532 -4.869 11.822 1.00 0.00 N ATOM 577 NH2 ARG A 39 -5.623 -5.163 11.014 1.00 0.00 N ATOM 0 H ARG A 39 -6.474 -5.193 6.077 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.627 -4.701 6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.952 -5.853 8.313 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.355 -5.531 8.960 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.637 -3.260 7.469 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.390 -3.689 8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.370 -3.437 8.881 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.335 -1.975 8.932 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.644 -2.401 11.251 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.704 -4.285 11.938 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.555 -5.807 12.223 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.429 -4.809 10.498 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.646 -6.101 11.415 1.00 0.00 H new ATOM 591 N PHE A 40 -4.925 -7.730 6.445 1.00 0.00 N ATOM 592 CA PHE A 40 -4.532 -9.154 6.254 1.00 0.00 C ATOM 593 C PHE A 40 -3.695 -9.285 4.978 1.00 0.00 C ATOM 594 O PHE A 40 -3.007 -10.266 4.774 1.00 0.00 O ATOM 595 CB PHE A 40 -5.791 -10.017 6.133 1.00 0.00 C ATOM 596 CG PHE A 40 -6.375 -10.250 7.506 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.765 -11.156 8.381 1.00 0.00 C ATOM 598 CD2 PHE A 40 -7.526 -9.560 7.904 1.00 0.00 C ATOM 599 CE1 PHE A 40 -6.305 -11.372 9.654 1.00 0.00 C ATOM 600 CE2 PHE A 40 -8.067 -9.776 9.177 1.00 0.00 C ATOM 601 CZ PHE A 40 -7.456 -10.682 10.053 1.00 0.00 C ATOM 0 H PHE A 40 -5.929 -7.550 6.429 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.944 -9.489 7.109 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.523 -9.524 5.494 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.548 -10.970 5.663 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.877 -11.689 8.074 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.997 -8.861 7.229 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.834 -12.071 10.329 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.955 -9.244 9.484 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.872 -10.848 11.036 1.00 0.00 H new ATOM 611 N CYS A 41 -3.746 -8.303 4.121 1.00 0.00 N ATOM 612 CA CYS A 41 -2.953 -8.366 2.860 1.00 0.00 C ATOM 613 C CYS A 41 -1.578 -7.735 3.095 1.00 0.00 C ATOM 614 O CYS A 41 -0.554 -8.339 2.846 1.00 0.00 O ATOM 615 CB CYS A 41 -3.688 -7.596 1.756 1.00 0.00 C ATOM 616 SG CYS A 41 -4.888 -8.687 0.945 1.00 0.00 S ATOM 0 H CYS A 41 -4.304 -7.457 4.239 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.830 -9.406 2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.197 -6.731 2.180 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.973 -7.218 1.025 1.00 0.00 H new ATOM 621 N TRP A 42 -1.552 -6.522 3.572 1.00 0.00 N ATOM 622 CA TRP A 42 -0.251 -5.838 3.825 1.00 0.00 C ATOM 623 C TRP A 42 0.554 -6.622 4.865 1.00 0.00 C ATOM 624 O TRP A 42 1.754 -6.471 4.977 1.00 0.00 O ATOM 625 CB TRP A 42 -0.521 -4.427 4.352 1.00 0.00 C ATOM 626 CG TRP A 42 0.777 -3.723 4.590 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.569 -3.207 3.623 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.444 -3.447 5.856 1.00 0.00 C ATOM 629 NE1 TRP A 42 2.680 -2.633 4.214 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.649 -2.757 5.589 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.123 -3.727 7.196 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.506 -2.357 6.615 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.983 -3.327 8.232 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.173 -2.644 7.941 1.00 0.00 C ATOM 0 H TRP A 42 -2.380 -5.971 3.799 1.00 0.00 H new ATOM 0 HA TRP A 42 0.318 -5.785 2.897 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.123 -3.869 3.635 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.094 -4.477 5.278 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.367 -3.238 2.563 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.430 -2.174 3.697 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.209 -4.253 7.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.420 -1.829 6.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.727 -3.546 9.258 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.831 -2.340 8.741 1.00 0.00 H new ATOM 645 N HIS A 43 -0.099 -7.449 5.634 1.00 0.00 N ATOM 646 CA HIS A 43 0.625 -8.233 6.674 1.00 0.00 C ATOM 647 C HIS A 43 1.403 -9.382 6.025 1.00 0.00 C ATOM 648 O HIS A 43 2.610 -9.465 6.134 1.00 0.00 O ATOM 649 CB HIS A 43 -0.387 -8.805 7.668 1.00 0.00 C ATOM 650 CG HIS A 43 -0.329 -8.023 8.950 1.00 0.00 C ATOM 651 ND1 HIS A 43 0.704 -8.174 9.861 1.00 0.00 N ATOM 652 CD2 HIS A 43 -1.169 -7.079 9.488 1.00 0.00 C ATOM 653 CE1 HIS A 43 0.462 -7.342 10.891 1.00 0.00 C ATOM 654 NE2 HIS A 43 -0.667 -6.650 10.714 1.00 0.00 N ATOM 0 H HIS A 43 -1.104 -7.616 5.587 1.00 0.00 H new ATOM 0 HA HIS A 43 1.326 -7.578 7.191 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.391 -8.759 7.247 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.169 -9.856 7.861 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -2.080 -6.724 9.030 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.102 -7.246 11.755 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -1.074 -5.957 11.342 1.00 0.00 H new ATOM 662 N ARG A 44 0.721 -10.273 5.360 1.00 0.00 N ATOM 663 CA ARG A 44 1.423 -11.422 4.718 1.00 0.00 C ATOM 664 C ARG A 44 2.418 -10.909 3.673 1.00 0.00 C ATOM 665 O ARG A 44 3.356 -11.593 3.310 1.00 0.00 O ATOM 666 CB ARG A 44 0.396 -12.332 4.041 1.00 0.00 C ATOM 667 CG ARG A 44 0.093 -13.524 4.951 1.00 0.00 C ATOM 668 CD ARG A 44 -0.828 -14.505 4.224 1.00 0.00 C ATOM 669 NE ARG A 44 -0.007 -15.545 3.542 1.00 0.00 N ATOM 670 CZ ARG A 44 0.040 -15.586 2.238 1.00 0.00 C ATOM 671 NH1 ARG A 44 1.034 -15.030 1.602 1.00 0.00 N ATOM 672 NH2 ARG A 44 -0.906 -16.190 1.571 1.00 0.00 N ATOM 0 H ARG A 44 -0.291 -10.256 5.233 1.00 0.00 H new ATOM 0 HA ARG A 44 1.963 -11.983 5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.519 -11.776 3.835 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.779 -12.681 3.082 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.020 -14.022 5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.379 -13.181 5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.511 -14.973 4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.440 -13.974 3.495 1.00 0.00 H new ATOM 0 HE ARG A 44 0.518 -16.224 4.093 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.776 -14.563 2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.070 -15.063 0.583 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.681 -16.629 2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.871 -16.223 0.552 1.00 0.00 H new ATOM 686 N ILE A 45 2.224 -9.717 3.182 1.00 0.00 N ATOM 687 CA ILE A 45 3.162 -9.175 2.158 1.00 0.00 C ATOM 688 C ILE A 45 4.419 -8.625 2.839 1.00 0.00 C ATOM 689 O ILE A 45 5.518 -8.766 2.340 1.00 0.00 O ATOM 690 CB ILE A 45 2.474 -8.053 1.381 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.313 -8.632 0.567 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.478 -7.397 0.433 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.616 -7.508 -0.202 1.00 0.00 C ATOM 0 H ILE A 45 1.459 -9.096 3.444 1.00 0.00 H new ATOM 0 HA ILE A 45 3.446 -9.975 1.475 1.00 0.00 H new ATOM 0 HB ILE A 45 2.094 -7.309 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.683 -9.387 -0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.603 -9.128 1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.987 -6.597 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.306 -6.984 1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.858 -8.142 -0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.210 -7.921 -0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.232 -6.769 0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.329 -7.032 -0.875 1.00 0.00 H new ATOM 705 N ARG A 46 4.269 -7.994 3.972 1.00 0.00 N ATOM 706 CA ARG A 46 5.459 -7.433 4.674 1.00 0.00 C ATOM 707 C ARG A 46 6.118 -8.519 5.529 1.00 0.00 C ATOM 708 O ARG A 46 7.147 -8.300 6.138 1.00 0.00 O ATOM 709 CB ARG A 46 5.024 -6.270 5.568 1.00 0.00 C ATOM 710 CG ARG A 46 5.042 -4.970 4.760 1.00 0.00 C ATOM 711 CD ARG A 46 6.456 -4.716 4.231 1.00 0.00 C ATOM 712 NE ARG A 46 6.980 -3.446 4.807 1.00 0.00 N ATOM 713 CZ ARG A 46 7.730 -2.663 4.079 1.00 0.00 C ATOM 714 NH1 ARG A 46 7.329 -1.455 3.793 1.00 0.00 N ATOM 715 NH2 ARG A 46 8.884 -3.089 3.640 1.00 0.00 N ATOM 0 H ARG A 46 3.376 -7.843 4.441 1.00 0.00 H new ATOM 0 HA ARG A 46 6.176 -7.075 3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.024 -6.453 5.960 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.692 -6.187 6.425 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.338 -5.036 3.930 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.721 -4.137 5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.110 -5.546 4.498 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.444 -4.657 3.143 1.00 0.00 H new ATOM 0 HE ARG A 46 6.754 -3.189 5.768 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.429 -1.121 4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.915 -0.844 3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.199 -4.033 3.866 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.470 -2.478 3.071 1.00 0.00 H new ATOM 729 N THR A 47 5.539 -9.689 5.580 1.00 0.00 N ATOM 730 CA THR A 47 6.142 -10.782 6.397 1.00 0.00 C ATOM 731 C THR A 47 6.348 -12.026 5.525 1.00 0.00 C ATOM 732 O THR A 47 6.970 -12.986 5.934 1.00 0.00 O ATOM 733 CB THR A 47 5.213 -11.121 7.569 1.00 0.00 C ATOM 734 OG1 THR A 47 5.940 -11.842 8.554 1.00 0.00 O ATOM 735 CG2 THR A 47 4.041 -11.972 7.076 1.00 0.00 C ATOM 0 H THR A 47 4.677 -9.935 5.093 1.00 0.00 H new ATOM 0 HA THR A 47 7.106 -10.452 6.785 1.00 0.00 H new ATOM 0 HB THR A 47 4.828 -10.197 8.000 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.482 -12.533 8.120 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.385 -12.209 7.914 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.481 -11.418 6.322 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.420 -12.896 6.640 1.00 0.00 H new ATOM 743 N ASP A 48 5.828 -12.017 4.327 1.00 0.00 N ATOM 744 CA ASP A 48 5.993 -13.199 3.435 1.00 0.00 C ATOM 745 C ASP A 48 6.608 -12.754 2.107 1.00 0.00 C ATOM 746 O ASP A 48 7.703 -13.147 1.755 1.00 0.00 O ATOM 747 CB ASP A 48 4.624 -13.834 3.174 1.00 0.00 C ATOM 748 CG ASP A 48 4.806 -15.299 2.776 1.00 0.00 C ATOM 749 OD1 ASP A 48 5.310 -16.056 3.588 1.00 0.00 O ATOM 750 OD2 ASP A 48 4.437 -15.640 1.663 1.00 0.00 O ATOM 0 H ASP A 48 5.297 -11.243 3.929 1.00 0.00 H new ATOM 0 HA ASP A 48 6.648 -13.927 3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.003 -13.764 4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.106 -13.293 2.382 1.00 0.00 H new ATOM 755 N GLU A 49 5.911 -11.939 1.364 1.00 0.00 N ATOM 756 CA GLU A 49 6.452 -11.470 0.057 1.00 0.00 C ATOM 757 C GLU A 49 7.535 -10.416 0.298 1.00 0.00 C ATOM 758 O GLU A 49 8.074 -10.302 1.381 1.00 0.00 O ATOM 759 CB GLU A 49 5.319 -10.857 -0.770 1.00 0.00 C ATOM 760 CG GLU A 49 5.596 -11.073 -2.257 1.00 0.00 C ATOM 761 CD GLU A 49 4.454 -11.880 -2.879 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.327 -11.415 -2.824 1.00 0.00 O ATOM 763 OE2 GLU A 49 4.726 -12.949 -3.400 1.00 0.00 O ATOM 0 H GLU A 49 4.989 -11.577 1.606 1.00 0.00 H new ATOM 0 HA GLU A 49 6.883 -12.314 -0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.368 -11.313 -0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.234 -9.791 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.694 -10.112 -2.763 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.541 -11.600 -2.389 1.00 0.00 H new ATOM 770 N ASN A 50 7.857 -9.642 -0.703 1.00 0.00 N ATOM 771 CA ASN A 50 8.902 -8.595 -0.531 1.00 0.00 C ATOM 772 C ASN A 50 8.230 -7.233 -0.354 1.00 0.00 C ATOM 773 O ASN A 50 8.727 -6.221 -0.808 1.00 0.00 O ATOM 774 CB ASN A 50 9.798 -8.558 -1.772 1.00 0.00 C ATOM 775 CG ASN A 50 10.863 -9.652 -1.669 1.00 0.00 C ATOM 776 OD1 ASN A 50 11.158 -10.128 -0.591 1.00 0.00 O ATOM 777 ND2 ASN A 50 11.459 -10.071 -2.753 1.00 0.00 N ATOM 0 H ASN A 50 7.441 -9.690 -1.633 1.00 0.00 H new ATOM 0 HA ASN A 50 9.505 -8.825 0.348 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.198 -8.704 -2.670 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.273 -7.581 -1.861 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.172 -10.798 -2.694 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.211 -9.671 -3.658 1.00 0.00 H new ATOM 784 N GLY A 51 7.100 -7.198 0.297 1.00 0.00 N ATOM 785 CA GLY A 51 6.400 -5.900 0.493 1.00 0.00 C ATOM 786 C GLY A 51 6.320 -5.163 -0.845 1.00 0.00 C ATOM 787 O GLY A 51 6.303 -3.949 -0.897 1.00 0.00 O ATOM 0 H GLY A 51 6.633 -8.010 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.399 -6.070 0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.933 -5.293 1.225 1.00 0.00 H new ATOM 791 N LEU A 52 6.277 -5.890 -1.929 1.00 0.00 N ATOM 792 CA LEU A 52 6.203 -5.233 -3.264 1.00 0.00 C ATOM 793 C LEU A 52 4.743 -4.969 -3.633 1.00 0.00 C ATOM 794 O LEU A 52 3.828 -5.465 -3.007 1.00 0.00 O ATOM 795 CB LEU A 52 6.832 -6.146 -4.321 1.00 0.00 C ATOM 796 CG LEU A 52 8.344 -5.918 -4.373 1.00 0.00 C ATOM 797 CD1 LEU A 52 8.938 -6.711 -5.539 1.00 0.00 C ATOM 798 CD2 LEU A 52 8.633 -4.429 -4.574 1.00 0.00 C ATOM 0 H LEU A 52 6.290 -6.910 -1.947 1.00 0.00 H new ATOM 0 HA LEU A 52 6.744 -4.288 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.621 -7.189 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.391 -5.944 -5.297 1.00 0.00 H new ATOM 0 HG LEU A 52 8.792 -6.251 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.015 -6.550 -5.577 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.735 -7.773 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.487 -6.377 -6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.711 -4.269 -4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.184 -4.094 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.210 -3.861 -3.745 1.00 0.00 H new ATOM 810 N CYS A 53 4.526 -4.189 -4.654 1.00 0.00 N ATOM 811 CA CYS A 53 3.136 -3.877 -5.091 1.00 0.00 C ATOM 812 C CYS A 53 2.692 -4.907 -6.139 1.00 0.00 C ATOM 813 O CYS A 53 3.345 -5.069 -7.150 1.00 0.00 O ATOM 814 CB CYS A 53 3.128 -2.484 -5.722 1.00 0.00 C ATOM 815 SG CYS A 53 1.431 -1.915 -5.980 1.00 0.00 S ATOM 0 H CYS A 53 5.259 -3.750 -5.210 1.00 0.00 H new ATOM 0 HA CYS A 53 2.458 -3.909 -4.239 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.659 -1.783 -5.077 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.659 -2.506 -6.674 1.00 0.00 H new ATOM 820 N PRO A 54 1.591 -5.569 -5.878 1.00 0.00 N ATOM 821 CA PRO A 54 1.044 -6.581 -6.799 1.00 0.00 C ATOM 822 C PRO A 54 0.264 -5.910 -7.940 1.00 0.00 C ATOM 823 O PRO A 54 -0.562 -6.532 -8.581 1.00 0.00 O ATOM 824 CB PRO A 54 0.106 -7.402 -5.911 1.00 0.00 C ATOM 825 CG PRO A 54 -0.271 -6.492 -4.716 1.00 0.00 C ATOM 826 CD PRO A 54 0.798 -5.383 -4.647 1.00 0.00 C ATOM 0 HA PRO A 54 1.816 -7.186 -7.275 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.783 -7.707 -6.463 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.596 -8.313 -5.566 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.264 -6.064 -4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.296 -7.063 -3.788 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.343 -4.393 -4.612 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.417 -5.481 -3.755 1.00 0.00 H new ATOM 834 N ALA A 55 0.510 -4.651 -8.198 1.00 0.00 N ATOM 835 CA ALA A 55 -0.227 -3.959 -9.293 1.00 0.00 C ATOM 836 C ALA A 55 0.754 -3.170 -10.166 1.00 0.00 C ATOM 837 O ALA A 55 0.616 -3.115 -11.372 1.00 0.00 O ATOM 838 CB ALA A 55 -1.254 -3.000 -8.687 1.00 0.00 C ATOM 0 H ALA A 55 1.188 -4.075 -7.698 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.735 -4.702 -9.908 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.794 -2.493 -9.486 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.958 -3.561 -8.073 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.742 -2.262 -8.070 1.00 0.00 H new ATOM 844 N CYS A 56 1.744 -2.556 -9.573 1.00 0.00 N ATOM 845 CA CYS A 56 2.719 -1.774 -10.386 1.00 0.00 C ATOM 846 C CYS A 56 4.116 -2.394 -10.259 1.00 0.00 C ATOM 847 O CYS A 56 5.020 -2.065 -10.999 1.00 0.00 O ATOM 848 CB CYS A 56 2.733 -0.314 -9.903 1.00 0.00 C ATOM 849 SG CYS A 56 3.738 -0.157 -8.405 1.00 0.00 S ATOM 0 H CYS A 56 1.918 -2.562 -8.568 1.00 0.00 H new ATOM 0 HA CYS A 56 2.423 -1.797 -11.435 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.132 0.331 -10.686 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.715 0.020 -9.703 1.00 0.00 H new ATOM 854 N ARG A 57 4.293 -3.293 -9.329 1.00 0.00 N ATOM 855 CA ARG A 57 5.625 -3.945 -9.156 1.00 0.00 C ATOM 856 C ARG A 57 6.637 -2.942 -8.592 1.00 0.00 C ATOM 857 O ARG A 57 7.771 -2.880 -9.025 1.00 0.00 O ATOM 858 CB ARG A 57 6.117 -4.464 -10.508 1.00 0.00 C ATOM 859 CG ARG A 57 6.061 -5.991 -10.517 1.00 0.00 C ATOM 860 CD ARG A 57 7.369 -6.544 -11.082 1.00 0.00 C ATOM 861 NE ARG A 57 7.946 -7.529 -10.125 1.00 0.00 N ATOM 862 CZ ARG A 57 8.924 -8.307 -10.500 1.00 0.00 C ATOM 863 NH1 ARG A 57 10.083 -8.231 -9.905 1.00 0.00 N ATOM 864 NH2 ARG A 57 8.744 -9.159 -11.471 1.00 0.00 N ATOM 0 H ARG A 57 3.571 -3.605 -8.679 1.00 0.00 H new ATOM 0 HA ARG A 57 5.526 -4.776 -8.458 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.499 -4.062 -11.311 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.137 -4.126 -10.691 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.902 -6.366 -9.506 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.219 -6.331 -11.120 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.189 -7.020 -12.046 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.075 -5.732 -11.255 1.00 0.00 H new ATOM 0 HE ARG A 57 7.577 -7.595 -9.177 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.224 -7.563 -9.147 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.848 -8.839 -10.198 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.839 -9.217 -11.937 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.509 -9.767 -11.764 1.00 0.00 H new ATOM 878 N LYS A 58 6.241 -2.167 -7.621 1.00 0.00 N ATOM 879 CA LYS A 58 7.180 -1.179 -7.016 1.00 0.00 C ATOM 880 C LYS A 58 7.287 -1.456 -5.513 1.00 0.00 C ATOM 881 O LYS A 58 6.408 -2.062 -4.934 1.00 0.00 O ATOM 882 CB LYS A 58 6.651 0.238 -7.242 1.00 0.00 C ATOM 883 CG LYS A 58 6.610 0.536 -8.743 1.00 0.00 C ATOM 884 CD LYS A 58 8.023 0.836 -9.246 1.00 0.00 C ATOM 885 CE LYS A 58 8.056 2.227 -9.883 1.00 0.00 C ATOM 886 NZ LYS A 58 9.081 3.064 -9.199 1.00 0.00 N ATOM 0 H LYS A 58 5.304 -2.175 -7.218 1.00 0.00 H new ATOM 0 HA LYS A 58 8.162 -1.269 -7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.654 0.338 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.290 0.961 -6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.195 -0.316 -9.282 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.956 1.386 -8.937 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.732 0.786 -8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.328 0.084 -9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.287 2.147 -10.945 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.076 2.698 -9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.103 4.009 -9.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.842 3.151 -8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.015 2.617 -9.296 1.00 0.00 H new ATOM 900 N PRO A 59 8.365 -1.011 -4.923 1.00 0.00 N ATOM 901 CA PRO A 59 8.618 -1.205 -3.484 1.00 0.00 C ATOM 902 C PRO A 59 7.773 -0.243 -2.640 1.00 0.00 C ATOM 903 O PRO A 59 7.810 0.958 -2.822 1.00 0.00 O ATOM 904 CB PRO A 59 10.112 -0.899 -3.339 1.00 0.00 C ATOM 905 CG PRO A 59 10.498 -0.021 -4.552 1.00 0.00 C ATOM 906 CD PRO A 59 9.429 -0.271 -5.633 1.00 0.00 C ATOM 0 HA PRO A 59 8.355 -2.205 -3.139 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.313 -0.378 -2.403 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.697 -1.819 -3.323 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.529 1.032 -4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.490 -0.283 -4.920 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.055 0.665 -6.048 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.831 -0.850 -6.465 1.00 0.00 H new ATOM 914 N TYR A 60 7.016 -0.773 -1.713 1.00 0.00 N ATOM 915 CA TYR A 60 6.164 0.089 -0.837 1.00 0.00 C ATOM 916 C TYR A 60 6.937 1.355 -0.449 1.00 0.00 C ATOM 917 O TYR A 60 8.148 1.381 -0.534 1.00 0.00 O ATOM 918 CB TYR A 60 5.799 -0.694 0.430 1.00 0.00 C ATOM 919 CG TYR A 60 4.972 -1.915 0.072 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.516 -2.104 -1.240 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.654 -2.852 1.063 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.743 -3.227 -1.560 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.883 -3.975 0.743 1.00 0.00 C ATOM 924 CZ TYR A 60 3.426 -4.163 -0.567 1.00 0.00 C ATOM 925 OH TYR A 60 2.664 -5.269 -0.883 1.00 0.00 O ATOM 0 H TYR A 60 6.951 -1.773 -1.524 1.00 0.00 H new ATOM 0 HA TYR A 60 5.258 0.372 -1.372 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.706 -1.000 0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.240 -0.055 1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.761 -1.382 -2.005 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.004 -2.708 2.075 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.392 -3.371 -2.571 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.640 -4.698 1.508 1.00 0.00 H new ATOM 0 HH TYR A 60 3.065 -5.735 -1.646 1.00 0.00 H new ATOM 935 N PRO A 61 6.218 2.373 -0.033 1.00 0.00 N ATOM 936 CA PRO A 61 6.835 3.650 0.373 1.00 0.00 C ATOM 937 C PRO A 61 7.499 3.522 1.749 1.00 0.00 C ATOM 938 O PRO A 61 8.692 3.316 1.854 1.00 0.00 O ATOM 939 CB PRO A 61 5.657 4.625 0.423 1.00 0.00 C ATOM 940 CG PRO A 61 4.385 3.761 0.596 1.00 0.00 C ATOM 941 CD PRO A 61 4.738 2.355 0.077 1.00 0.00 C ATOM 0 HA PRO A 61 7.621 3.975 -0.309 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.767 5.325 1.251 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.603 5.217 -0.490 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.081 3.723 1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.550 4.183 0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.398 1.579 0.763 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.269 2.156 -0.886 1.00 0.00 H new ATOM 949 N GLU A 62 6.741 3.654 2.803 1.00 0.00 N ATOM 950 CA GLU A 62 7.340 3.552 4.164 1.00 0.00 C ATOM 951 C GLU A 62 8.346 4.690 4.349 1.00 0.00 C ATOM 952 O GLU A 62 8.170 5.774 3.830 1.00 0.00 O ATOM 953 CB GLU A 62 8.056 2.207 4.312 1.00 0.00 C ATOM 954 CG GLU A 62 8.011 1.763 5.776 1.00 0.00 C ATOM 955 CD GLU A 62 9.221 0.878 6.081 1.00 0.00 C ATOM 956 OE1 GLU A 62 9.148 -0.307 5.801 1.00 0.00 O ATOM 957 OE2 GLU A 62 10.199 1.401 6.590 1.00 0.00 O ATOM 0 H GLU A 62 5.736 3.828 2.781 1.00 0.00 H new ATOM 0 HA GLU A 62 6.556 3.624 4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.580 1.458 3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.090 2.295 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.011 2.634 6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.089 1.216 5.973 1.00 0.00 H new ATOM 964 N ASP A 63 9.404 4.457 5.078 1.00 0.00 N ATOM 965 CA ASP A 63 10.412 5.534 5.278 1.00 0.00 C ATOM 966 C ASP A 63 11.208 5.723 3.983 1.00 0.00 C ATOM 967 O ASP A 63 11.492 4.767 3.289 1.00 0.00 O ATOM 968 CB ASP A 63 11.364 5.143 6.411 1.00 0.00 C ATOM 969 CG ASP A 63 11.416 6.270 7.443 1.00 0.00 C ATOM 970 OD1 ASP A 63 10.361 6.665 7.913 1.00 0.00 O ATOM 971 OD2 ASP A 63 12.508 6.721 7.746 1.00 0.00 O ATOM 0 H ASP A 63 9.612 3.572 5.541 1.00 0.00 H new ATOM 0 HA ASP A 63 9.907 6.464 5.538 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.027 4.219 6.882 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.361 4.953 6.014 1.00 0.00 H new ATOM 976 N PRO A 64 11.542 6.956 3.691 1.00 0.00 N ATOM 977 CA PRO A 64 12.304 7.305 2.481 1.00 0.00 C ATOM 978 C PRO A 64 13.793 7.013 2.681 1.00 0.00 C ATOM 979 O PRO A 64 14.614 7.318 1.839 1.00 0.00 O ATOM 980 CB PRO A 64 12.057 8.809 2.325 1.00 0.00 C ATOM 981 CG PRO A 64 11.660 9.334 3.726 1.00 0.00 C ATOM 982 CD PRO A 64 11.192 8.113 4.540 1.00 0.00 C ATOM 0 HA PRO A 64 12.001 6.734 1.603 1.00 0.00 H new ATOM 0 HB2 PRO A 64 12.952 9.314 1.960 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.266 9.000 1.600 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.506 9.821 4.211 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.865 10.076 3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.693 8.063 5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.121 8.153 4.737 1.00 0.00 H new ATOM 990 N ALA A 65 14.148 6.424 3.791 1.00 0.00 N ATOM 991 CA ALA A 65 15.584 6.116 4.041 1.00 0.00 C ATOM 992 C ALA A 65 15.732 4.653 4.463 1.00 0.00 C ATOM 993 O ALA A 65 16.025 4.354 5.603 1.00 0.00 O ATOM 994 CB ALA A 65 16.111 7.023 5.155 1.00 0.00 C ATOM 0 H ALA A 65 13.507 6.144 4.533 1.00 0.00 H new ATOM 0 HA ALA A 65 16.155 6.287 3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 65 17.162 6.799 5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.009 8.066 4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.538 6.851 6.066 1.00 0.00 H new ATOM 1000 N VAL A 66 15.536 3.737 3.553 1.00 0.00 N ATOM 1001 CA VAL A 66 15.671 2.296 3.910 1.00 0.00 C ATOM 1002 C VAL A 66 17.070 1.808 3.528 1.00 0.00 C ATOM 1003 O VAL A 66 17.674 1.018 4.226 1.00 0.00 O ATOM 1004 CB VAL A 66 14.624 1.479 3.152 1.00 0.00 C ATOM 1005 CG1 VAL A 66 14.885 1.585 1.648 1.00 0.00 C ATOM 1006 CG2 VAL A 66 14.716 0.014 3.583 1.00 0.00 C ATOM 0 H VAL A 66 15.289 3.924 2.581 1.00 0.00 H new ATOM 0 HA VAL A 66 15.520 2.172 4.982 1.00 0.00 H new ATOM 0 HB VAL A 66 13.629 1.864 3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.139 1.003 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.823 2.629 1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.879 1.199 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.971 -0.571 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.711 -0.370 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.532 -0.062 4.655 1.00 0.00 H new ATOM 1016 N TYR A 67 17.588 2.273 2.425 1.00 0.00 N ATOM 1017 CA TYR A 67 18.948 1.837 1.997 1.00 0.00 C ATOM 1018 C TYR A 67 20.004 2.621 2.780 1.00 0.00 C ATOM 1019 O TYR A 67 19.690 3.385 3.671 1.00 0.00 O ATOM 1020 CB TYR A 67 19.122 2.102 0.499 1.00 0.00 C ATOM 1021 CG TYR A 67 18.584 0.933 -0.290 1.00 0.00 C ATOM 1022 CD1 TYR A 67 17.238 0.906 -0.677 1.00 0.00 C ATOM 1023 CD2 TYR A 67 19.433 -0.125 -0.637 1.00 0.00 C ATOM 1024 CE1 TYR A 67 16.742 -0.180 -1.410 1.00 0.00 C ATOM 1025 CE2 TYR A 67 18.937 -1.209 -1.372 1.00 0.00 C ATOM 1026 CZ TYR A 67 17.591 -1.237 -1.758 1.00 0.00 C ATOM 1027 OH TYR A 67 17.103 -2.305 -2.483 1.00 0.00 O ATOM 0 H TYR A 67 17.129 2.936 1.801 1.00 0.00 H new ATOM 0 HA TYR A 67 19.066 0.771 2.193 1.00 0.00 H new ATOM 0 HB2 TYR A 67 18.597 3.015 0.218 1.00 0.00 H new ATOM 0 HB3 TYR A 67 20.176 2.256 0.267 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.583 1.722 -0.410 1.00 0.00 H new ATOM 0 HD2 TYR A 67 20.471 -0.105 -0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 67 15.704 -0.202 -1.707 1.00 0.00 H new ATOM 0 HE2 TYR A 67 19.593 -2.024 -1.641 1.00 0.00 H new ATOM 0 HH TYR A 67 17.824 -2.950 -2.641 1.00 0.00 H new ATOM 1037 N LYS A 68 21.254 2.439 2.452 1.00 0.00 N ATOM 1038 CA LYS A 68 22.332 3.173 3.175 1.00 0.00 C ATOM 1039 C LYS A 68 22.123 3.043 4.688 1.00 0.00 C ATOM 1040 O LYS A 68 21.604 3.941 5.320 1.00 0.00 O ATOM 1041 CB LYS A 68 22.292 4.652 2.783 1.00 0.00 C ATOM 1042 CG LYS A 68 23.204 4.884 1.578 1.00 0.00 C ATOM 1043 CD LYS A 68 23.810 6.286 1.657 1.00 0.00 C ATOM 1044 CE LYS A 68 22.856 7.288 1.008 1.00 0.00 C ATOM 1045 NZ LYS A 68 23.640 8.290 0.232 1.00 0.00 N ATOM 0 H LYS A 68 21.576 1.813 1.714 1.00 0.00 H new ATOM 0 HA LYS A 68 23.299 2.748 2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 68 21.271 4.948 2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 68 22.614 5.270 3.621 1.00 0.00 H new ATOM 0 HG2 LYS A 68 23.996 4.135 1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 68 22.637 4.773 0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 68 23.989 6.559 2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 68 24.775 6.306 1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 68 22.158 6.769 0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 68 22.262 7.788 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 22.991 8.972 -0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 24.289 8.793 0.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 24.188 7.805 -0.507 1.00 0.00 H new ATOM 1059 N PRO A 69 22.538 1.923 5.222 1.00 0.00 N ATOM 1060 CA PRO A 69 22.417 1.636 6.662 1.00 0.00 C ATOM 1061 C PRO A 69 23.517 2.359 7.446 1.00 0.00 C ATOM 1062 O PRO A 69 23.289 2.876 8.523 1.00 0.00 O ATOM 1063 CB PRO A 69 22.601 0.118 6.741 1.00 0.00 C ATOM 1064 CG PRO A 69 23.370 -0.295 5.462 1.00 0.00 C ATOM 1065 CD PRO A 69 23.166 0.839 4.440 1.00 0.00 C ATOM 0 HA PRO A 69 21.471 1.970 7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 69 23.158 -0.160 7.636 1.00 0.00 H new ATOM 0 HB3 PRO A 69 21.637 -0.388 6.795 1.00 0.00 H new ATOM 0 HG2 PRO A 69 24.429 -0.438 5.676 1.00 0.00 H new ATOM 0 HG3 PRO A 69 22.993 -1.241 5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 69 24.113 1.159 4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 69 22.528 0.522 3.615 1.00 0.00 H new ATOM 1073 N LEU A 70 24.707 2.400 6.914 1.00 0.00 N ATOM 1074 CA LEU A 70 25.821 3.088 7.626 1.00 0.00 C ATOM 1075 C LEU A 70 26.313 4.265 6.782 1.00 0.00 C ATOM 1076 O LEU A 70 25.962 4.404 5.627 1.00 0.00 O ATOM 1077 CB LEU A 70 26.974 2.105 7.841 1.00 0.00 C ATOM 1078 CG LEU A 70 26.781 1.369 9.168 1.00 0.00 C ATOM 1079 CD1 LEU A 70 26.724 2.382 10.313 1.00 0.00 C ATOM 1080 CD2 LEU A 70 25.475 0.573 9.126 1.00 0.00 C ATOM 0 H LEU A 70 24.957 1.986 6.016 1.00 0.00 H new ATOM 0 HA LEU A 70 25.466 3.451 8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 70 27.013 1.390 7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 70 27.924 2.639 7.845 1.00 0.00 H new ATOM 0 HG LEU A 70 27.617 0.688 9.328 1.00 0.00 H new ATOM 0 HD11 LEU A 70 26.586 1.856 11.258 1.00 0.00 H new ATOM 0 HD12 LEU A 70 27.655 2.948 10.345 1.00 0.00 H new ATOM 0 HD13 LEU A 70 25.890 3.065 10.153 1.00 0.00 H new ATOM 0 HD21 LEU A 70 25.338 0.049 10.072 1.00 0.00 H new ATOM 0 HD22 LEU A 70 24.639 1.254 8.964 1.00 0.00 H new ATOM 0 HD23 LEU A 70 25.516 -0.151 8.312 1.00 0.00 H new ATOM 1092 N SER A 71 27.127 5.114 7.349 1.00 0.00 N ATOM 1093 CA SER A 71 27.644 6.279 6.577 1.00 0.00 C ATOM 1094 C SER A 71 29.109 6.033 6.207 1.00 0.00 C ATOM 1095 O SER A 71 29.840 5.383 6.928 1.00 0.00 O ATOM 1096 CB SER A 71 27.538 7.543 7.429 1.00 0.00 C ATOM 1097 OG SER A 71 26.325 8.217 7.120 1.00 0.00 O ATOM 0 H SER A 71 27.456 5.051 8.313 1.00 0.00 H new ATOM 0 HA SER A 71 27.055 6.405 5.668 1.00 0.00 H new ATOM 0 HB2 SER A 71 27.565 7.285 8.488 1.00 0.00 H new ATOM 0 HB3 SER A 71 28.389 8.196 7.238 1.00 0.00 H new ATOM 0 HG SER A 71 26.253 9.028 7.666 1.00 0.00 H new ATOM 1103 N GLN A 72 29.543 6.547 5.089 1.00 0.00 N ATOM 1104 CA GLN A 72 30.961 6.341 4.677 1.00 0.00 C ATOM 1105 C GLN A 72 31.666 7.694 4.576 1.00 0.00 C ATOM 1106 O GLN A 72 31.302 8.647 5.236 1.00 0.00 O ATOM 1107 CB GLN A 72 30.997 5.641 3.317 1.00 0.00 C ATOM 1108 CG GLN A 72 29.899 4.579 3.260 1.00 0.00 C ATOM 1109 CD GLN A 72 28.592 5.218 2.787 1.00 0.00 C ATOM 1110 OE1 GLN A 72 28.608 6.014 1.753 1.00 0.00 O flip ATOM 1111 NE2 GLN A 72 27.548 4.990 3.362 1.00 0.00 N flip ATOM 0 H GLN A 72 28.979 7.100 4.444 1.00 0.00 H new ATOM 0 HA GLN A 72 31.470 5.724 5.417 1.00 0.00 H new ATOM 0 HB2 GLN A 72 30.855 6.369 2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 72 31.972 5.180 3.159 1.00 0.00 H new ATOM 0 HG2 GLN A 72 30.190 3.777 2.582 1.00 0.00 H new ATOM 0 HG3 GLN A 72 29.761 4.130 4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 72 27.536 4.368 4.170 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.682 5.421 3.037 1.00 0.00 H new ATOM 1120 N GLU A 73 32.676 7.786 3.754 1.00 0.00 N ATOM 1121 CA GLU A 73 33.407 9.077 3.614 1.00 0.00 C ATOM 1122 C GLU A 73 32.781 9.895 2.482 1.00 0.00 C ATOM 1123 O GLU A 73 32.682 11.104 2.560 1.00 0.00 O ATOM 1124 CB GLU A 73 34.877 8.798 3.291 1.00 0.00 C ATOM 1125 CG GLU A 73 35.595 10.116 2.994 1.00 0.00 C ATOM 1126 CD GLU A 73 35.914 10.205 1.499 1.00 0.00 C ATOM 1127 OE1 GLU A 73 35.731 9.212 0.813 1.00 0.00 O ATOM 1128 OE2 GLU A 73 36.338 11.263 1.067 1.00 0.00 O ATOM 0 H GLU A 73 33.026 7.023 3.174 1.00 0.00 H new ATOM 0 HA GLU A 73 33.341 9.637 4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 73 35.355 8.293 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 73 34.951 8.130 2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 73 34.970 10.957 3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 73 36.514 10.180 3.576 1.00 0.00 H new ATOM 1135 N GLU A 74 32.358 9.246 1.431 1.00 0.00 N ATOM 1136 CA GLU A 74 31.740 9.988 0.296 1.00 0.00 C ATOM 1137 C GLU A 74 30.767 9.069 -0.446 1.00 0.00 C ATOM 1138 O GLU A 74 29.572 9.287 -0.448 1.00 0.00 O ATOM 1139 CB GLU A 74 32.835 10.452 -0.667 1.00 0.00 C ATOM 1140 CG GLU A 74 33.286 11.863 -0.285 1.00 0.00 C ATOM 1141 CD GLU A 74 33.808 12.586 -1.528 1.00 0.00 C ATOM 1142 OE1 GLU A 74 33.515 12.131 -2.621 1.00 0.00 O ATOM 1143 OE2 GLU A 74 34.490 13.584 -1.367 1.00 0.00 O ATOM 0 H GLU A 74 32.414 8.235 1.310 1.00 0.00 H new ATOM 0 HA GLU A 74 31.201 10.854 0.680 1.00 0.00 H new ATOM 0 HB2 GLU A 74 33.681 9.766 -0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 74 32.461 10.443 -1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 74 32.454 12.417 0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 74 34.066 11.814 0.475 1.00 0.00 H new ATOM 1150 N LEU A 75 31.270 8.045 -1.078 1.00 0.00 N ATOM 1151 CA LEU A 75 30.374 7.114 -1.821 1.00 0.00 C ATOM 1152 C LEU A 75 30.929 5.691 -1.727 1.00 0.00 C ATOM 1153 O LEU A 75 30.366 4.837 -1.070 1.00 0.00 O ATOM 1154 CB LEU A 75 30.305 7.537 -3.292 1.00 0.00 C ATOM 1155 CG LEU A 75 28.888 7.318 -3.829 1.00 0.00 C ATOM 1156 CD1 LEU A 75 28.371 5.948 -3.383 1.00 0.00 C ATOM 1157 CD2 LEU A 75 27.964 8.411 -3.289 1.00 0.00 C ATOM 0 H LEU A 75 32.263 7.812 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 75 29.375 7.146 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.583 8.586 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 75 31.020 6.961 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 75 28.906 7.359 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 75 27.362 5.797 -3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 75 29.027 5.168 -3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 75 28.355 5.902 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 75 26.955 8.256 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 75 27.950 8.370 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 75 28.328 9.387 -3.611 1.00 0.00 H new ATOM 1169 N GLN A 76 32.029 5.430 -2.379 1.00 0.00 N ATOM 1170 CA GLN A 76 32.620 4.065 -2.327 1.00 0.00 C ATOM 1171 C GLN A 76 33.140 3.786 -0.916 1.00 0.00 C ATOM 1172 O GLN A 76 33.436 4.692 -0.163 1.00 0.00 O ATOM 1173 CB GLN A 76 33.777 3.973 -3.323 1.00 0.00 C ATOM 1174 CG GLN A 76 33.315 3.229 -4.577 1.00 0.00 C ATOM 1175 CD GLN A 76 34.441 3.226 -5.613 1.00 0.00 C ATOM 1176 OE1 GLN A 76 35.417 2.519 -5.463 1.00 0.00 O ATOM 1177 NE2 GLN A 76 34.344 3.993 -6.663 1.00 0.00 N ATOM 0 H GLN A 76 32.543 6.104 -2.946 1.00 0.00 H new ATOM 0 HA GLN A 76 31.858 3.330 -2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 76 34.123 4.972 -3.587 1.00 0.00 H new ATOM 0 HB3 GLN A 76 34.621 3.453 -2.869 1.00 0.00 H new ATOM 0 HG2 GLN A 76 33.037 2.206 -4.324 1.00 0.00 H new ATOM 0 HG3 GLN A 76 32.427 3.708 -4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 76 33.524 4.586 -6.787 1.00 0.00 H new ATOM 0 HE22 GLN A 76 35.089 4.000 -7.360 1.00 0.00 H new ATOM 1186 N ARG A 77 33.252 2.539 -0.553 1.00 0.00 N ATOM 1187 CA ARG A 77 33.753 2.201 0.809 1.00 0.00 C ATOM 1188 C ARG A 77 35.075 2.928 1.063 1.00 0.00 C ATOM 1189 O ARG A 77 35.562 3.661 0.226 1.00 0.00 O ATOM 1190 CB ARG A 77 33.974 0.691 0.912 1.00 0.00 C ATOM 1191 CG ARG A 77 32.916 0.080 1.833 1.00 0.00 C ATOM 1192 CD ARG A 77 31.533 0.601 1.437 1.00 0.00 C ATOM 1193 NE ARG A 77 30.503 -0.428 1.757 1.00 0.00 N ATOM 1194 CZ ARG A 77 29.412 -0.501 1.045 1.00 0.00 C ATOM 1195 NH1 ARG A 77 29.479 -0.450 -0.257 1.00 0.00 N ATOM 1196 NH2 ARG A 77 28.255 -0.627 1.634 1.00 0.00 N ATOM 0 H ARG A 77 33.018 1.739 -1.141 1.00 0.00 H new ATOM 0 HA ARG A 77 33.019 2.512 1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 77 33.916 0.236 -0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 77 34.972 0.485 1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 77 32.941 -1.007 1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 77 33.130 0.337 2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 77 31.315 1.527 1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 77 31.512 0.833 0.372 1.00 0.00 H new ATOM 0 HE ARG A 77 30.651 -1.075 2.532 1.00 0.00 H new ATOM 0 HH11 ARG A 77 30.384 -0.353 -0.718 1.00 0.00 H new ATOM 0 HH12 ARG A 77 28.627 -0.507 -0.814 1.00 0.00 H new ATOM 0 HH21 ARG A 77 28.203 -0.669 2.652 1.00 0.00 H new ATOM 0 HH22 ARG A 77 27.403 -0.684 1.077 1.00 0.00 H new ATOM 1210 N ILE A 78 35.658 2.733 2.213 1.00 0.00 N ATOM 1211 CA ILE A 78 36.946 3.413 2.521 1.00 0.00 C ATOM 1212 C ILE A 78 38.042 2.365 2.723 1.00 0.00 C ATOM 1213 O ILE A 78 38.431 1.747 1.746 1.00 0.00 O ATOM 1214 CB ILE A 78 36.790 4.240 3.798 1.00 0.00 C ATOM 1215 CG1 ILE A 78 35.552 5.132 3.676 1.00 0.00 C ATOM 1216 CG2 ILE A 78 38.030 5.113 3.997 1.00 0.00 C ATOM 1217 CD1 ILE A 78 34.396 4.512 4.464 1.00 0.00 C ATOM 1218 OXT ILE A 78 38.474 2.199 3.851 1.00 0.00 O ATOM 0 H ILE A 78 35.297 2.131 2.953 1.00 0.00 H new ATOM 0 HA ILE A 78 37.219 4.068 1.693 1.00 0.00 H new ATOM 0 HB ILE A 78 36.677 3.573 4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 78 35.771 6.130 4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 78 35.273 5.244 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 78 37.918 5.702 4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 78 38.912 4.478 4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 78 38.145 5.782 3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 78 33.514 5.147 4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 78 34.172 3.523 4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 78 34.677 4.423 5.513 1.00 0.00 H new TER 1230 ILE A 78 HETATM 1231 ZN ZN A 79 -6.876 -7.684 1.538 1.00 0.00 ZN HETATM 1232 ZN ZN A 80 2.214 0.122 -6.706 1.00 0.00 ZN