USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 461 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 NoAdj-H: A 30 HIS HD1 : A 30 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 37 SER OG : rot 98:sc= -0.501 USER MOD Set 1.2: A 56 TYR OH : rot 30:sc= -0.366 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.293 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 81:sc= 0.0986 USER MOD Single : A 42 GLN : amide:sc= -0.373 X(o=-0.37,f=0) USER MOD Single : A 46 GLN : amide:sc= -6.53! C(o=-6.5!,f=-7.6!) USER MOD Single : A 47 HIS : no HD1:sc= -0.54 X(o=-0.54,f=-0.09) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -39:sc= 0.744 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0451 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.283 11.432 -7.024 1.00 0.00 N ATOM 2 CA GLY A 1 -16.572 10.368 -7.968 1.00 0.00 C ATOM 3 C GLY A 1 -16.840 9.043 -7.282 1.00 0.00 C ATOM 4 O GLY A 1 -17.896 8.440 -7.472 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.107 12.317 -7.541 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.094 11.560 -6.386 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.440 11.183 -6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.438 10.645 -8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.732 10.256 -8.653 1.00 0.00 H new ATOM 8 N SER A 2 -15.880 8.587 -6.484 1.00 0.00 N ATOM 9 CA SER A 2 -16.015 7.321 -5.772 1.00 0.00 C ATOM 10 C SER A 2 -16.842 7.498 -4.502 1.00 0.00 C ATOM 11 O SER A 2 -16.547 8.357 -3.671 1.00 0.00 O ATOM 12 CB SER A 2 -14.636 6.759 -5.422 1.00 0.00 C ATOM 13 OG SER A 2 -13.977 7.577 -4.472 1.00 0.00 O ATOM 0 H SER A 2 -15.000 9.075 -6.314 1.00 0.00 H new ATOM 0 HA SER A 2 -16.531 6.618 -6.426 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.742 5.749 -5.026 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.030 6.685 -6.325 1.00 0.00 H new ATOM 0 HG SER A 2 -14.642 8.065 -3.943 1.00 0.00 H new ATOM 19 N SER A 3 -17.878 6.677 -4.359 1.00 0.00 N ATOM 20 CA SER A 3 -18.750 6.744 -3.193 1.00 0.00 C ATOM 21 C SER A 3 -18.596 5.498 -2.326 1.00 0.00 C ATOM 22 O SER A 3 -18.661 4.373 -2.820 1.00 0.00 O ATOM 23 CB SER A 3 -20.209 6.899 -3.629 1.00 0.00 C ATOM 24 OG SER A 3 -20.982 7.513 -2.613 1.00 0.00 O ATOM 0 H SER A 3 -18.133 5.958 -5.036 1.00 0.00 H new ATOM 0 HA SER A 3 -18.460 7.613 -2.603 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.258 7.497 -4.539 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.627 5.921 -3.867 1.00 0.00 H new ATOM 0 HG SER A 3 -21.910 7.602 -2.917 1.00 0.00 H new ATOM 30 N GLY A 4 -18.390 5.708 -1.029 1.00 0.00 N ATOM 31 CA GLY A 4 -18.229 4.594 -0.114 1.00 0.00 C ATOM 32 C GLY A 4 -17.255 4.899 1.006 1.00 0.00 C ATOM 33 O GLY A 4 -16.406 5.781 0.876 1.00 0.00 O ATOM 0 H GLY A 4 -18.332 6.630 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.198 4.335 0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.881 3.722 -0.667 1.00 0.00 H new ATOM 37 N SER A 5 -17.377 4.170 2.110 1.00 0.00 N ATOM 38 CA SER A 5 -16.503 4.372 3.260 1.00 0.00 C ATOM 39 C SER A 5 -15.109 3.815 2.987 1.00 0.00 C ATOM 40 O SER A 5 -14.107 4.510 3.157 1.00 0.00 O ATOM 41 CB SER A 5 -17.097 3.704 4.502 1.00 0.00 C ATOM 42 OG SER A 5 -16.427 4.126 5.677 1.00 0.00 O ATOM 0 H SER A 5 -18.072 3.434 2.233 1.00 0.00 H new ATOM 0 HA SER A 5 -16.419 5.444 3.438 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.157 3.946 4.577 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.023 2.621 4.407 1.00 0.00 H new ATOM 0 HG SER A 5 -16.826 3.687 6.457 1.00 0.00 H new ATOM 48 N SER A 6 -15.054 2.557 2.562 1.00 0.00 N ATOM 49 CA SER A 6 -13.783 1.904 2.269 1.00 0.00 C ATOM 50 C SER A 6 -13.425 2.052 0.793 1.00 0.00 C ATOM 51 O SER A 6 -14.088 1.490 -0.078 1.00 0.00 O ATOM 52 CB SER A 6 -13.848 0.422 2.644 1.00 0.00 C ATOM 53 OG SER A 6 -14.048 0.257 4.037 1.00 0.00 O ATOM 0 H SER A 6 -15.874 1.969 2.413 1.00 0.00 H new ATOM 0 HA SER A 6 -13.008 2.388 2.864 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.659 -0.059 2.097 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.924 -0.073 2.345 1.00 0.00 H new ATOM 0 HG SER A 6 -14.088 -0.699 4.251 1.00 0.00 H new ATOM 59 N GLY A 7 -12.369 2.813 0.520 1.00 0.00 N ATOM 60 CA GLY A 7 -11.940 3.022 -0.850 1.00 0.00 C ATOM 61 C GLY A 7 -10.520 2.549 -1.091 1.00 0.00 C ATOM 62 O GLY A 7 -9.720 2.461 -0.159 1.00 0.00 O ATOM 0 H GLY A 7 -11.803 3.288 1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.615 2.494 -1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.013 4.082 -1.093 1.00 0.00 H new ATOM 66 N CYS A 8 -10.206 2.241 -2.345 1.00 0.00 N ATOM 67 CA CYS A 8 -8.874 1.771 -2.707 1.00 0.00 C ATOM 68 C CYS A 8 -8.031 2.911 -3.273 1.00 0.00 C ATOM 69 O CYS A 8 -8.401 3.538 -4.264 1.00 0.00 O ATOM 70 CB CYS A 8 -8.970 0.637 -3.729 1.00 0.00 C ATOM 71 SG CYS A 8 -7.357 0.020 -4.308 1.00 0.00 S ATOM 0 H CYS A 8 -10.856 2.309 -3.128 1.00 0.00 H new ATOM 0 HA CYS A 8 -8.390 1.397 -1.805 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.526 -0.190 -3.287 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.544 0.984 -4.588 1.00 0.00 H new ATOM 76 N GLY A 9 -6.894 3.172 -2.634 1.00 0.00 N ATOM 77 CA GLY A 9 -6.016 4.235 -3.088 1.00 0.00 C ATOM 78 C GLY A 9 -5.328 3.900 -4.396 1.00 0.00 C ATOM 79 O GLY A 9 -4.851 4.790 -5.100 1.00 0.00 O ATOM 0 H GLY A 9 -6.566 2.667 -1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.593 5.152 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.263 4.431 -2.325 1.00 0.00 H new ATOM 83 N GLY A 10 -5.276 2.613 -4.723 1.00 0.00 N ATOM 84 CA GLY A 10 -4.637 2.185 -5.954 1.00 0.00 C ATOM 85 C GLY A 10 -5.499 2.443 -7.174 1.00 0.00 C ATOM 86 O GLY A 10 -5.165 3.277 -8.015 1.00 0.00 O ATOM 0 H GLY A 10 -5.665 1.858 -4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.687 2.707 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.410 1.121 -5.891 1.00 0.00 H new ATOM 90 N CYS A 11 -6.612 1.723 -7.272 1.00 0.00 N ATOM 91 CA CYS A 11 -7.525 1.876 -8.399 1.00 0.00 C ATOM 92 C CYS A 11 -8.612 2.900 -8.084 1.00 0.00 C ATOM 93 O CYS A 11 -8.908 3.775 -8.895 1.00 0.00 O ATOM 94 CB CYS A 11 -8.163 0.530 -8.751 1.00 0.00 C ATOM 95 SG CYS A 11 -9.066 -0.247 -7.374 1.00 0.00 S ATOM 0 H CYS A 11 -6.903 1.028 -6.585 1.00 0.00 H new ATOM 0 HA CYS A 11 -6.951 2.234 -9.254 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.848 0.672 -9.587 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.383 -0.152 -9.091 1.00 0.00 H new ATOM 100 N GLY A 12 -9.203 2.782 -6.899 1.00 0.00 N ATOM 101 CA GLY A 12 -10.250 3.703 -6.497 1.00 0.00 C ATOM 102 C GLY A 12 -11.508 2.989 -6.044 1.00 0.00 C ATOM 103 O GLY A 12 -12.227 3.478 -5.174 1.00 0.00 O ATOM 0 H GLY A 12 -8.975 2.065 -6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.883 4.335 -5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.490 4.362 -7.332 1.00 0.00 H new ATOM 107 N GLU A 13 -11.774 1.828 -6.635 1.00 0.00 N ATOM 108 CA GLU A 13 -12.955 1.047 -6.288 1.00 0.00 C ATOM 109 C GLU A 13 -12.973 0.721 -4.797 1.00 0.00 C ATOM 110 O GLU A 13 -11.923 0.595 -4.166 1.00 0.00 O ATOM 111 CB GLU A 13 -12.997 -0.246 -7.105 1.00 0.00 C ATOM 112 CG GLU A 13 -12.991 -0.017 -8.607 1.00 0.00 C ATOM 113 CD GLU A 13 -13.723 -1.107 -9.366 1.00 0.00 C ATOM 114 OE1 GLU A 13 -14.934 -1.291 -9.118 1.00 0.00 O ATOM 115 OE2 GLU A 13 -13.087 -1.776 -10.206 1.00 0.00 O ATOM 0 H GLU A 13 -11.187 1.408 -7.356 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.836 1.645 -6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.140 -0.863 -6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.891 -0.808 -6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.453 0.946 -8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.961 0.036 -8.959 1.00 0.00 H new ATOM 122 N ASP A 14 -14.172 0.587 -4.241 1.00 0.00 N ATOM 123 CA ASP A 14 -14.327 0.275 -2.825 1.00 0.00 C ATOM 124 C ASP A 14 -13.689 -1.070 -2.492 1.00 0.00 C ATOM 125 O ASP A 14 -13.575 -1.945 -3.350 1.00 0.00 O ATOM 126 CB ASP A 14 -15.809 0.259 -2.445 1.00 0.00 C ATOM 127 CG ASP A 14 -16.535 1.512 -2.892 1.00 0.00 C ATOM 128 OD1 ASP A 14 -16.411 2.547 -2.204 1.00 0.00 O ATOM 129 OD2 ASP A 14 -17.228 1.458 -3.930 1.00 0.00 O ATOM 0 H ASP A 14 -15.051 0.690 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.820 1.049 -2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.286 -0.613 -2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.903 0.154 -1.364 1.00 0.00 H new ATOM 134 N VAL A 15 -13.273 -1.227 -1.239 1.00 0.00 N ATOM 135 CA VAL A 15 -12.646 -2.465 -0.791 1.00 0.00 C ATOM 136 C VAL A 15 -13.496 -3.160 0.266 1.00 0.00 C ATOM 137 O VAL A 15 -13.674 -2.647 1.371 1.00 0.00 O ATOM 138 CB VAL A 15 -11.241 -2.206 -0.217 1.00 0.00 C ATOM 139 CG1 VAL A 15 -10.614 -3.505 0.267 1.00 0.00 C ATOM 140 CG2 VAL A 15 -10.357 -1.532 -1.255 1.00 0.00 C ATOM 0 H VAL A 15 -13.359 -0.512 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.559 -3.111 -1.665 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.335 -1.535 0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.621 -3.302 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.239 -3.943 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.532 -4.202 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.368 -1.357 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.268 -2.175 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.800 -0.580 -1.548 1.00 0.00 H new ATOM 150 N VAL A 16 -14.018 -4.333 -0.079 1.00 0.00 N ATOM 151 CA VAL A 16 -14.849 -5.100 0.841 1.00 0.00 C ATOM 152 C VAL A 16 -14.501 -6.584 0.787 1.00 0.00 C ATOM 153 O VAL A 16 -14.351 -7.158 -0.290 1.00 0.00 O ATOM 154 CB VAL A 16 -16.346 -4.923 0.527 1.00 0.00 C ATOM 155 CG1 VAL A 16 -17.196 -5.706 1.517 1.00 0.00 C ATOM 156 CG2 VAL A 16 -16.721 -3.449 0.539 1.00 0.00 C ATOM 0 H VAL A 16 -13.880 -4.773 -0.989 1.00 0.00 H new ATOM 0 HA VAL A 16 -14.649 -4.718 1.842 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.539 -5.316 -0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -18.251 -5.569 1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -16.945 -6.765 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -17.002 -5.346 2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -17.782 -3.342 0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -16.513 -3.029 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -16.136 -2.919 -0.213 1.00 0.00 H new ATOM 166 N GLY A 17 -14.376 -7.200 1.959 1.00 0.00 N ATOM 167 CA GLY A 17 -14.047 -8.612 2.024 1.00 0.00 C ATOM 168 C GLY A 17 -13.451 -9.008 3.359 1.00 0.00 C ATOM 169 O GLY A 17 -12.333 -8.612 3.690 1.00 0.00 O ATOM 0 H GLY A 17 -14.497 -6.746 2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.947 -9.200 1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.342 -8.854 1.229 1.00 0.00 H new ATOM 173 N ASP A 18 -14.198 -9.791 4.130 1.00 0.00 N ATOM 174 CA ASP A 18 -13.736 -10.240 5.439 1.00 0.00 C ATOM 175 C ASP A 18 -12.360 -10.890 5.336 1.00 0.00 C ATOM 176 O ASP A 18 -12.234 -12.037 4.909 1.00 0.00 O ATOM 177 CB ASP A 18 -14.736 -11.227 6.044 1.00 0.00 C ATOM 178 CG ASP A 18 -14.131 -12.048 7.166 1.00 0.00 C ATOM 179 OD1 ASP A 18 -13.636 -11.445 8.142 1.00 0.00 O ATOM 180 OD2 ASP A 18 -14.152 -13.293 7.069 1.00 0.00 O ATOM 0 H ASP A 18 -15.125 -10.128 3.872 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.658 -9.368 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -15.599 -10.679 6.423 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.100 -11.895 5.264 1.00 0.00 H new ATOM 185 N GLY A 19 -11.329 -10.148 5.729 1.00 0.00 N ATOM 186 CA GLY A 19 -9.976 -10.668 5.672 1.00 0.00 C ATOM 187 C GLY A 19 -9.131 -9.972 4.624 1.00 0.00 C ATOM 188 O GLY A 19 -7.937 -9.752 4.825 1.00 0.00 O ATOM 0 H GLY A 19 -11.407 -9.196 6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.505 -10.554 6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.009 -11.736 5.457 1.00 0.00 H new ATOM 192 N ALA A 20 -9.751 -9.626 3.500 1.00 0.00 N ATOM 193 CA ALA A 20 -9.048 -8.951 2.416 1.00 0.00 C ATOM 194 C ALA A 20 -8.831 -7.476 2.738 1.00 0.00 C ATOM 195 O ALA A 20 -9.260 -6.989 3.783 1.00 0.00 O ATOM 196 CB ALA A 20 -9.819 -9.101 1.113 1.00 0.00 C ATOM 0 H ALA A 20 -10.739 -9.802 3.317 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.070 -9.419 2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.283 -8.592 0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.918 -10.159 0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.810 -8.660 1.224 1.00 0.00 H new ATOM 202 N GLY A 21 -8.160 -6.770 1.833 1.00 0.00 N ATOM 203 CA GLY A 21 -7.896 -5.358 2.039 1.00 0.00 C ATOM 204 C GLY A 21 -6.560 -5.110 2.711 1.00 0.00 C ATOM 205 O GLY A 21 -6.412 -5.327 3.913 1.00 0.00 O ATOM 0 H GLY A 21 -7.794 -7.151 0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.917 -4.844 1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.691 -4.928 2.648 1.00 0.00 H new ATOM 209 N VAL A 22 -5.584 -4.655 1.932 1.00 0.00 N ATOM 210 CA VAL A 22 -4.253 -4.377 2.458 1.00 0.00 C ATOM 211 C VAL A 22 -4.137 -2.931 2.925 1.00 0.00 C ATOM 212 O VAL A 22 -4.152 -2.003 2.116 1.00 0.00 O ATOM 213 CB VAL A 22 -3.164 -4.654 1.405 1.00 0.00 C ATOM 214 CG1 VAL A 22 -1.794 -4.263 1.937 1.00 0.00 C ATOM 215 CG2 VAL A 22 -3.185 -6.117 0.988 1.00 0.00 C ATOM 0 H VAL A 22 -5.690 -4.471 0.934 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.104 -5.043 3.308 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.372 -4.046 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.038 -4.466 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.788 -3.201 2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.573 -4.842 2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.409 -6.294 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.003 -6.746 1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.159 -6.360 0.562 1.00 0.00 H new ATOM 225 N VAL A 23 -4.021 -2.745 4.236 1.00 0.00 N ATOM 226 CA VAL A 23 -3.901 -1.411 4.812 1.00 0.00 C ATOM 227 C VAL A 23 -2.439 -1.007 4.963 1.00 0.00 C ATOM 228 O VAL A 23 -1.699 -1.596 5.750 1.00 0.00 O ATOM 229 CB VAL A 23 -4.589 -1.329 6.188 1.00 0.00 C ATOM 230 CG1 VAL A 23 -4.416 0.057 6.790 1.00 0.00 C ATOM 231 CG2 VAL A 23 -6.062 -1.688 6.068 1.00 0.00 C ATOM 0 H VAL A 23 -4.008 -3.502 4.920 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.396 -0.725 4.125 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.116 -2.049 6.855 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.909 0.096 7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.354 0.270 6.913 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.861 0.799 6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.533 -1.625 7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.551 -0.993 5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.159 -2.703 5.684 1.00 0.00 H new ATOM 241 N ALA A 24 -2.028 0.003 4.202 1.00 0.00 N ATOM 242 CA ALA A 24 -0.655 0.488 4.252 1.00 0.00 C ATOM 243 C ALA A 24 -0.598 1.999 4.055 1.00 0.00 C ATOM 244 O ALA A 24 -1.352 2.560 3.258 1.00 0.00 O ATOM 245 CB ALA A 24 0.192 -0.215 3.202 1.00 0.00 C ATOM 0 H ALA A 24 -2.627 0.501 3.544 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.252 0.261 5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.215 0.157 3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.187 -1.289 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.219 -0.018 2.212 1.00 0.00 H new ATOM 251 N LEU A 25 0.298 2.653 4.786 1.00 0.00 N ATOM 252 CA LEU A 25 0.452 4.101 4.692 1.00 0.00 C ATOM 253 C LEU A 25 -0.867 4.809 4.987 1.00 0.00 C ATOM 254 O LEU A 25 -1.222 5.783 4.323 1.00 0.00 O ATOM 255 CB LEU A 25 0.953 4.491 3.300 1.00 0.00 C ATOM 256 CG LEU A 25 2.174 3.726 2.788 1.00 0.00 C ATOM 257 CD1 LEU A 25 2.188 3.700 1.267 1.00 0.00 C ATOM 258 CD2 LEU A 25 3.456 4.346 3.325 1.00 0.00 C ATOM 0 H LEU A 25 0.929 2.204 5.450 1.00 0.00 H new ATOM 0 HA LEU A 25 1.185 4.413 5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.138 4.352 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.192 5.555 3.306 1.00 0.00 H new ATOM 0 HG LEU A 25 2.113 2.699 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.064 3.151 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.285 3.209 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.225 4.721 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.314 3.789 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.525 5.383 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.448 4.311 4.414 1.00 0.00 H new ATOM 270 N ASP A 26 -1.587 4.314 5.988 1.00 0.00 N ATOM 271 CA ASP A 26 -2.865 4.902 6.373 1.00 0.00 C ATOM 272 C ASP A 26 -3.838 4.906 5.198 1.00 0.00 C ATOM 273 O ASP A 26 -4.675 5.800 5.076 1.00 0.00 O ATOM 274 CB ASP A 26 -2.660 6.328 6.887 1.00 0.00 C ATOM 275 CG ASP A 26 -2.426 6.375 8.384 1.00 0.00 C ATOM 276 OD1 ASP A 26 -1.948 5.366 8.942 1.00 0.00 O ATOM 277 OD2 ASP A 26 -2.720 7.422 8.998 1.00 0.00 O ATOM 0 H ASP A 26 -1.308 3.508 6.547 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.291 4.294 7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.809 6.777 6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.535 6.930 6.640 1.00 0.00 H new ATOM 282 N ARG A 27 -3.720 3.901 4.336 1.00 0.00 N ATOM 283 CA ARG A 27 -4.588 3.790 3.170 1.00 0.00 C ATOM 284 C ARG A 27 -5.008 2.342 2.940 1.00 0.00 C ATOM 285 O ARG A 27 -4.561 1.436 3.644 1.00 0.00 O ATOM 286 CB ARG A 27 -3.878 4.329 1.926 1.00 0.00 C ATOM 287 CG ARG A 27 -4.025 5.831 1.744 1.00 0.00 C ATOM 288 CD ARG A 27 -5.247 6.173 0.904 1.00 0.00 C ATOM 289 NE ARG A 27 -5.328 7.601 0.611 1.00 0.00 N ATOM 290 CZ ARG A 27 -5.618 8.523 1.523 1.00 0.00 C ATOM 291 NH1 ARG A 27 -5.854 8.168 2.778 1.00 0.00 N ATOM 292 NH2 ARG A 27 -5.673 9.803 1.179 1.00 0.00 N ATOM 0 H ARG A 27 -3.032 3.153 4.423 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.482 4.384 3.357 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.818 4.081 1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.274 3.824 1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.107 6.311 2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.130 6.230 1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.213 5.613 -0.030 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.148 5.859 1.431 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.152 7.908 -0.346 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.813 7.185 3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.076 8.878 3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.493 10.080 0.214 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.896 10.510 1.879 1.00 0.00 H new ATOM 306 N VAL A 28 -5.870 2.130 1.951 1.00 0.00 N ATOM 307 CA VAL A 28 -6.351 0.792 1.628 1.00 0.00 C ATOM 308 C VAL A 28 -6.118 0.464 0.158 1.00 0.00 C ATOM 309 O VAL A 28 -6.447 1.256 -0.726 1.00 0.00 O ATOM 310 CB VAL A 28 -7.851 0.643 1.945 1.00 0.00 C ATOM 311 CG1 VAL A 28 -8.345 -0.741 1.551 1.00 0.00 C ATOM 312 CG2 VAL A 28 -8.114 0.913 3.418 1.00 0.00 C ATOM 0 H VAL A 28 -6.250 2.869 1.359 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.786 0.095 2.246 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.403 1.379 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.407 -0.828 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.193 -0.891 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.790 -1.497 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.179 0.803 3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.552 0.202 4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.800 1.927 3.664 1.00 0.00 H new ATOM 322 N PHE A 29 -5.547 -0.709 -0.098 1.00 0.00 N ATOM 323 CA PHE A 29 -5.269 -1.142 -1.462 1.00 0.00 C ATOM 324 C PHE A 29 -5.596 -2.622 -1.640 1.00 0.00 C ATOM 325 O PHE A 29 -5.413 -3.424 -0.724 1.00 0.00 O ATOM 326 CB PHE A 29 -3.802 -0.886 -1.812 1.00 0.00 C ATOM 327 CG PHE A 29 -3.336 0.500 -1.469 1.00 0.00 C ATOM 328 CD1 PHE A 29 -2.961 0.818 -0.173 1.00 0.00 C ATOM 329 CD2 PHE A 29 -3.273 1.484 -2.442 1.00 0.00 C ATOM 330 CE1 PHE A 29 -2.533 2.093 0.145 1.00 0.00 C ATOM 331 CE2 PHE A 29 -2.846 2.761 -2.129 1.00 0.00 C ATOM 332 CZ PHE A 29 -2.474 3.066 -0.834 1.00 0.00 C ATOM 0 H PHE A 29 -5.268 -1.376 0.621 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.902 -0.565 -2.136 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.180 -1.610 -1.286 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.656 -1.056 -2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.004 0.061 0.596 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.561 1.251 -3.457 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.245 2.329 1.159 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.803 3.520 -2.896 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.138 4.062 -0.588 1.00 0.00 H new ATOM 342 N HIS A 30 -6.081 -2.976 -2.826 1.00 0.00 N ATOM 343 CA HIS A 30 -6.434 -4.360 -3.125 1.00 0.00 C ATOM 344 C HIS A 30 -5.186 -5.235 -3.194 1.00 0.00 C ATOM 345 O HIS A 30 -4.165 -4.836 -3.754 1.00 0.00 O ATOM 346 CB HIS A 30 -7.200 -4.438 -4.445 1.00 0.00 C ATOM 347 CG HIS A 30 -8.590 -3.885 -4.365 1.00 0.00 C ATOM 348 ND1 HIS A 30 -9.103 -3.003 -5.292 1.00 0.00 N ATOM 349 CD2 HIS A 30 -9.575 -4.095 -3.462 1.00 0.00 C ATOM 350 CE1 HIS A 30 -10.344 -2.692 -4.961 1.00 0.00 C ATOM 351 NE2 HIS A 30 -10.655 -3.342 -3.854 1.00 0.00 N ATOM 0 H HIS A 30 -6.239 -2.325 -3.595 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.071 -4.730 -2.322 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -6.645 -3.895 -5.210 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.250 -5.479 -4.766 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.522 -4.736 -2.594 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.993 -2.021 -5.503 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -11.551 -3.293 -3.369 1.00 0.00 H new ATOM 359 N VAL A 31 -5.276 -6.432 -2.622 1.00 0.00 N ATOM 360 CA VAL A 31 -4.156 -7.364 -2.619 1.00 0.00 C ATOM 361 C VAL A 31 -3.347 -7.256 -3.906 1.00 0.00 C ATOM 362 O VAL A 31 -2.119 -7.333 -3.889 1.00 0.00 O ATOM 363 CB VAL A 31 -4.635 -8.818 -2.447 1.00 0.00 C ATOM 364 CG1 VAL A 31 -5.097 -9.063 -1.019 1.00 0.00 C ATOM 365 CG2 VAL A 31 -5.747 -9.131 -3.437 1.00 0.00 C ATOM 0 H VAL A 31 -6.114 -6.778 -2.155 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.524 -7.095 -1.773 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.798 -9.485 -2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.432 -10.095 -0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.270 -8.880 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.921 -8.390 -0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.074 -10.162 -3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.587 -8.458 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.377 -8.997 -4.454 1.00 0.00 H new ATOM 375 N GLY A 32 -4.045 -7.076 -5.024 1.00 0.00 N ATOM 376 CA GLY A 32 -3.376 -6.959 -6.306 1.00 0.00 C ATOM 377 C GLY A 32 -2.869 -5.555 -6.570 1.00 0.00 C ATOM 378 O GLY A 32 -1.724 -5.367 -6.982 1.00 0.00 O ATOM 0 H GLY A 32 -5.062 -7.009 -5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.539 -7.657 -6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.065 -7.248 -7.100 1.00 0.00 H new ATOM 382 N CYS A 33 -3.724 -4.565 -6.334 1.00 0.00 N ATOM 383 CA CYS A 33 -3.358 -3.171 -6.550 1.00 0.00 C ATOM 384 C CYS A 33 -2.053 -2.833 -5.835 1.00 0.00 C ATOM 385 O CYS A 33 -1.110 -2.330 -6.446 1.00 0.00 O ATOM 386 CB CYS A 33 -4.475 -2.247 -6.060 1.00 0.00 C ATOM 387 SG CYS A 33 -5.924 -2.183 -7.162 1.00 0.00 S ATOM 0 H CYS A 33 -4.675 -4.703 -5.993 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.214 -3.021 -7.620 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.797 -2.576 -5.072 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.075 -1.240 -5.945 1.00 0.00 H new ATOM 392 N PHE A 34 -2.006 -3.114 -4.537 1.00 0.00 N ATOM 393 CA PHE A 34 -0.818 -2.840 -3.738 1.00 0.00 C ATOM 394 C PHE A 34 0.410 -3.517 -4.339 1.00 0.00 C ATOM 395 O PHE A 34 0.608 -4.722 -4.184 1.00 0.00 O ATOM 396 CB PHE A 34 -1.024 -3.318 -2.299 1.00 0.00 C ATOM 397 CG PHE A 34 -0.045 -2.727 -1.325 1.00 0.00 C ATOM 398 CD1 PHE A 34 -0.038 -1.365 -1.070 1.00 0.00 C ATOM 399 CD2 PHE A 34 0.869 -3.533 -0.665 1.00 0.00 C ATOM 400 CE1 PHE A 34 0.862 -0.818 -0.174 1.00 0.00 C ATOM 401 CE2 PHE A 34 1.770 -2.992 0.232 1.00 0.00 C ATOM 402 CZ PHE A 34 1.767 -1.633 0.477 1.00 0.00 C ATOM 0 H PHE A 34 -2.777 -3.531 -4.016 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.653 -1.763 -3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.036 -3.066 -1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.942 -4.405 -2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.744 -0.723 -1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.877 -4.596 -0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.857 0.245 0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.476 -3.631 0.741 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.471 -1.208 1.177 1.00 0.00 H new ATOM 412 N VAL A 35 1.233 -2.732 -5.028 1.00 0.00 N ATOM 413 CA VAL A 35 2.443 -3.253 -5.653 1.00 0.00 C ATOM 414 C VAL A 35 3.582 -2.244 -5.573 1.00 0.00 C ATOM 415 O VAL A 35 3.393 -1.112 -5.126 1.00 0.00 O ATOM 416 CB VAL A 35 2.198 -3.619 -7.130 1.00 0.00 C ATOM 417 CG1 VAL A 35 1.111 -4.676 -7.245 1.00 0.00 C ATOM 418 CG2 VAL A 35 1.836 -2.378 -7.932 1.00 0.00 C ATOM 0 H VAL A 35 1.083 -1.733 -5.167 1.00 0.00 H new ATOM 0 HA VAL A 35 2.721 -4.153 -5.104 1.00 0.00 H new ATOM 0 HB VAL A 35 3.118 -4.034 -7.542 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.952 -4.922 -8.295 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.416 -5.572 -6.705 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.184 -4.293 -6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.666 -2.654 -8.973 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.930 -1.932 -7.523 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.652 -1.658 -7.876 1.00 0.00 H new ATOM 428 N CYS A 36 4.766 -2.661 -6.009 1.00 0.00 N ATOM 429 CA CYS A 36 5.938 -1.794 -5.987 1.00 0.00 C ATOM 430 C CYS A 36 5.741 -0.589 -6.903 1.00 0.00 C ATOM 431 O CYS A 36 4.811 -0.554 -7.708 1.00 0.00 O ATOM 432 CB CYS A 36 7.184 -2.574 -6.413 1.00 0.00 C ATOM 433 SG CYS A 36 8.751 -1.698 -6.105 1.00 0.00 S ATOM 0 H CYS A 36 4.939 -3.594 -6.382 1.00 0.00 H new ATOM 0 HA CYS A 36 6.074 -1.435 -4.967 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.202 -3.526 -5.883 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.111 -2.802 -7.476 1.00 0.00 H new ATOM 438 N SER A 37 6.623 0.397 -6.773 1.00 0.00 N ATOM 439 CA SER A 37 6.545 1.605 -7.586 1.00 0.00 C ATOM 440 C SER A 37 7.497 1.522 -8.775 1.00 0.00 C ATOM 441 O SER A 37 7.347 2.248 -9.759 1.00 0.00 O ATOM 442 CB SER A 37 6.872 2.836 -6.740 1.00 0.00 C ATOM 443 OG SER A 37 7.077 3.976 -7.557 1.00 0.00 O ATOM 0 H SER A 37 7.400 0.383 -6.112 1.00 0.00 H new ATOM 0 HA SER A 37 5.527 1.694 -7.965 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.058 3.027 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.765 2.646 -6.145 1.00 0.00 H new ATOM 0 HG SER A 37 6.255 4.509 -7.588 1.00 0.00 H new ATOM 449 N THR A 38 8.480 0.632 -8.677 1.00 0.00 N ATOM 450 CA THR A 38 9.459 0.455 -9.742 1.00 0.00 C ATOM 451 C THR A 38 9.094 -0.728 -10.633 1.00 0.00 C ATOM 452 O THR A 38 8.700 -0.551 -11.786 1.00 0.00 O ATOM 453 CB THR A 38 10.874 0.237 -9.174 1.00 0.00 C ATOM 454 OG1 THR A 38 11.298 1.402 -8.457 1.00 0.00 O ATOM 455 CG2 THR A 38 11.864 -0.067 -10.289 1.00 0.00 C ATOM 0 H THR A 38 8.619 0.023 -7.871 1.00 0.00 H new ATOM 0 HA THR A 38 9.450 1.370 -10.335 1.00 0.00 H new ATOM 0 HB THR A 38 10.842 -0.616 -8.496 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.911 1.391 -7.557 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.856 -0.217 -9.864 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.554 -0.970 -10.815 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.892 0.768 -10.989 1.00 0.00 H new ATOM 463 N CYS A 39 9.226 -1.934 -10.090 1.00 0.00 N ATOM 464 CA CYS A 39 8.910 -3.146 -10.835 1.00 0.00 C ATOM 465 C CYS A 39 7.417 -3.455 -10.764 1.00 0.00 C ATOM 466 O CYS A 39 6.903 -4.265 -11.536 1.00 0.00 O ATOM 467 CB CYS A 39 9.713 -4.329 -10.290 1.00 0.00 C ATOM 468 SG CYS A 39 9.427 -4.670 -8.523 1.00 0.00 S ATOM 0 H CYS A 39 9.550 -2.097 -9.137 1.00 0.00 H new ATOM 0 HA CYS A 39 9.180 -2.982 -11.878 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.464 -5.220 -10.866 1.00 0.00 H new ATOM 0 HB3 CYS A 39 10.775 -4.136 -10.445 1.00 0.00 H new ATOM 473 N ARG A 40 6.728 -2.803 -9.833 1.00 0.00 N ATOM 474 CA ARG A 40 5.295 -3.008 -9.661 1.00 0.00 C ATOM 475 C ARG A 40 4.992 -4.462 -9.310 1.00 0.00 C ATOM 476 O ARG A 40 4.078 -5.068 -9.867 1.00 0.00 O ATOM 477 CB ARG A 40 4.544 -2.613 -10.934 1.00 0.00 C ATOM 478 CG ARG A 40 4.302 -1.118 -11.059 1.00 0.00 C ATOM 479 CD ARG A 40 5.592 -0.367 -11.353 1.00 0.00 C ATOM 480 NE ARG A 40 6.052 -0.585 -12.722 1.00 0.00 N ATOM 481 CZ ARG A 40 5.627 0.124 -13.762 1.00 0.00 C ATOM 482 NH1 ARG A 40 4.737 1.091 -13.589 1.00 0.00 N ATOM 483 NH2 ARG A 40 6.093 -0.134 -14.977 1.00 0.00 N ATOM 0 H ARG A 40 7.139 -2.129 -9.187 1.00 0.00 H new ATOM 0 HA ARG A 40 4.960 -2.376 -8.839 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.110 -2.955 -11.801 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.585 -3.131 -10.956 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.581 -0.930 -11.855 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.863 -0.741 -10.135 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.436 0.699 -11.188 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.365 -0.688 -10.655 1.00 0.00 H new ATOM 0 HE ARG A 40 6.737 -1.322 -12.889 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.377 1.292 -12.656 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.412 1.634 -14.389 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.778 -0.877 -15.113 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.766 0.411 -15.775 1.00 0.00 H new ATOM 497 N ALA A 41 5.766 -5.015 -8.382 1.00 0.00 N ATOM 498 CA ALA A 41 5.580 -6.396 -7.955 1.00 0.00 C ATOM 499 C ALA A 41 4.569 -6.488 -6.817 1.00 0.00 C ATOM 500 O ALA A 41 4.358 -5.522 -6.084 1.00 0.00 O ATOM 501 CB ALA A 41 6.910 -7.002 -7.532 1.00 0.00 C ATOM 0 H ALA A 41 6.528 -4.527 -7.911 1.00 0.00 H new ATOM 0 HA ALA A 41 5.188 -6.961 -8.801 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.756 -8.034 -7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.604 -6.980 -8.373 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.325 -6.427 -6.704 1.00 0.00 H new ATOM 507 N GLN A 42 3.947 -7.654 -6.676 1.00 0.00 N ATOM 508 CA GLN A 42 2.957 -7.869 -5.628 1.00 0.00 C ATOM 509 C GLN A 42 3.603 -7.803 -4.248 1.00 0.00 C ATOM 510 O GLN A 42 4.406 -8.663 -3.884 1.00 0.00 O ATOM 511 CB GLN A 42 2.269 -9.222 -5.817 1.00 0.00 C ATOM 512 CG GLN A 42 1.019 -9.154 -6.680 1.00 0.00 C ATOM 513 CD GLN A 42 0.054 -10.288 -6.399 1.00 0.00 C ATOM 514 OE1 GLN A 42 0.344 -11.451 -6.683 1.00 0.00 O ATOM 515 NE2 GLN A 42 -1.104 -9.956 -5.839 1.00 0.00 N ATOM 0 H GLN A 42 4.111 -8.464 -7.274 1.00 0.00 H new ATOM 0 HA GLN A 42 2.212 -7.077 -5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.975 -9.919 -6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.004 -9.625 -4.840 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.515 -8.203 -6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.306 -9.178 -7.731 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.303 -8.980 -5.620 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.794 -10.677 -5.628 1.00 0.00 H new ATOM 524 N LEU A 43 3.247 -6.776 -3.483 1.00 0.00 N ATOM 525 CA LEU A 43 3.792 -6.597 -2.142 1.00 0.00 C ATOM 526 C LEU A 43 2.800 -7.068 -1.083 1.00 0.00 C ATOM 527 O LEU A 43 2.933 -6.741 0.096 1.00 0.00 O ATOM 528 CB LEU A 43 4.147 -5.128 -1.906 1.00 0.00 C ATOM 529 CG LEU A 43 4.999 -4.461 -2.987 1.00 0.00 C ATOM 530 CD1 LEU A 43 5.202 -2.987 -2.673 1.00 0.00 C ATOM 531 CD2 LEU A 43 6.339 -5.170 -3.121 1.00 0.00 C ATOM 0 H LEU A 43 2.584 -6.055 -3.769 1.00 0.00 H new ATOM 0 HA LEU A 43 4.696 -7.201 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.220 -4.563 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.676 -5.051 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 43 4.472 -4.539 -3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.810 -2.529 -3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.234 -2.488 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.707 -2.886 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.933 -4.683 -3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.872 -5.124 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.173 -6.212 -3.394 1.00 0.00 H new ATOM 543 N ARG A 44 1.807 -7.841 -1.512 1.00 0.00 N ATOM 544 CA ARG A 44 0.794 -8.358 -0.601 1.00 0.00 C ATOM 545 C ARG A 44 1.391 -9.396 0.344 1.00 0.00 C ATOM 546 O ARG A 44 1.800 -10.476 -0.082 1.00 0.00 O ATOM 547 CB ARG A 44 -0.363 -8.976 -1.389 1.00 0.00 C ATOM 548 CG ARG A 44 -1.674 -9.010 -0.621 1.00 0.00 C ATOM 549 CD ARG A 44 -1.878 -10.346 0.075 1.00 0.00 C ATOM 550 NE ARG A 44 -1.626 -11.473 -0.819 1.00 0.00 N ATOM 551 CZ ARG A 44 -1.378 -12.707 -0.394 1.00 0.00 C ATOM 552 NH1 ARG A 44 -1.348 -12.971 0.905 1.00 0.00 N ATOM 553 NH2 ARG A 44 -1.159 -13.680 -1.269 1.00 0.00 N ATOM 0 H ARG A 44 1.683 -8.123 -2.485 1.00 0.00 H new ATOM 0 HA ARG A 44 0.417 -7.526 -0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.506 -8.412 -2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.094 -9.992 -1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.685 -8.208 0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.502 -8.825 -1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.213 -10.411 0.937 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.898 -10.405 0.454 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.641 -11.303 -1.825 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.516 -12.226 1.581 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.157 -13.919 1.228 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.181 -13.481 -2.269 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.969 -14.627 -0.942 1.00 0.00 H new ATOM 567 N GLY A 45 1.438 -9.061 1.630 1.00 0.00 N ATOM 568 CA GLY A 45 1.988 -9.974 2.615 1.00 0.00 C ATOM 569 C GLY A 45 3.490 -9.834 2.761 1.00 0.00 C ATOM 570 O GLY A 45 3.997 -9.641 3.866 1.00 0.00 O ATOM 0 H GLY A 45 1.105 -8.174 2.007 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.514 -9.792 3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.748 -10.998 2.330 1.00 0.00 H new ATOM 574 N GLN A 46 4.203 -9.934 1.644 1.00 0.00 N ATOM 575 CA GLN A 46 5.657 -9.819 1.654 1.00 0.00 C ATOM 576 C GLN A 46 6.094 -8.485 2.250 1.00 0.00 C ATOM 577 O GLN A 46 5.280 -7.580 2.436 1.00 0.00 O ATOM 578 CB GLN A 46 6.211 -9.962 0.235 1.00 0.00 C ATOM 579 CG GLN A 46 5.733 -8.878 -0.717 1.00 0.00 C ATOM 580 CD GLN A 46 6.203 -9.102 -2.140 1.00 0.00 C ATOM 581 OE1 GLN A 46 6.847 -8.238 -2.737 1.00 0.00 O ATOM 582 NE2 GLN A 46 5.883 -10.266 -2.694 1.00 0.00 N ATOM 0 H GLN A 46 3.798 -10.094 0.721 1.00 0.00 H new ATOM 0 HA GLN A 46 6.055 -10.622 2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.300 -9.944 0.276 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.923 -10.935 -0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.644 -8.839 -0.700 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.092 -7.910 -0.368 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.348 -10.954 -2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.172 -10.472 -3.650 1.00 0.00 H new ATOM 591 N HIS A 47 7.384 -8.370 2.550 1.00 0.00 N ATOM 592 CA HIS A 47 7.929 -7.146 3.126 1.00 0.00 C ATOM 593 C HIS A 47 8.165 -6.096 2.045 1.00 0.00 C ATOM 594 O HIS A 47 8.330 -6.425 0.870 1.00 0.00 O ATOM 595 CB HIS A 47 9.237 -7.442 3.860 1.00 0.00 C ATOM 596 CG HIS A 47 9.433 -6.612 5.092 1.00 0.00 C ATOM 597 ND1 HIS A 47 10.493 -6.788 5.957 1.00 0.00 N ATOM 598 CD2 HIS A 47 8.698 -5.596 5.601 1.00 0.00 C ATOM 599 CE1 HIS A 47 10.400 -5.916 6.945 1.00 0.00 C ATOM 600 NE2 HIS A 47 9.319 -5.181 6.753 1.00 0.00 N ATOM 0 H HIS A 47 8.071 -9.110 2.404 1.00 0.00 H new ATOM 0 HA HIS A 47 7.203 -6.753 3.837 1.00 0.00 H new ATOM 0 HB2 HIS A 47 9.259 -8.497 4.135 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.072 -7.272 3.180 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.791 -5.188 5.179 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.091 -5.820 7.770 1.00 0.00 H new ATOM 0 HE2 HIS A 47 8.998 -4.428 7.362 1.00 0.00 H new ATOM 609 N PHE A 48 8.179 -4.830 2.450 1.00 0.00 N ATOM 610 CA PHE A 48 8.393 -3.731 1.516 1.00 0.00 C ATOM 611 C PHE A 48 8.915 -2.494 2.241 1.00 0.00 C ATOM 612 O PHE A 48 9.035 -2.484 3.467 1.00 0.00 O ATOM 613 CB PHE A 48 7.092 -3.395 0.784 1.00 0.00 C ATOM 614 CG PHE A 48 5.879 -3.434 1.669 1.00 0.00 C ATOM 615 CD1 PHE A 48 5.301 -4.642 2.022 1.00 0.00 C ATOM 616 CD2 PHE A 48 5.317 -2.261 2.146 1.00 0.00 C ATOM 617 CE1 PHE A 48 4.185 -4.681 2.837 1.00 0.00 C ATOM 618 CE2 PHE A 48 4.201 -2.294 2.961 1.00 0.00 C ATOM 619 CZ PHE A 48 3.634 -3.505 3.306 1.00 0.00 C ATOM 0 H PHE A 48 8.045 -4.540 3.419 1.00 0.00 H new ATOM 0 HA PHE A 48 9.141 -4.047 0.788 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.179 -2.402 0.343 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.955 -4.098 -0.038 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.727 -5.565 1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.755 -1.311 1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.745 -5.630 3.106 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.773 -1.373 3.328 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.761 -3.532 3.941 1.00 0.00 H new ATOM 629 N TYR A 49 9.225 -1.454 1.476 1.00 0.00 N ATOM 630 CA TYR A 49 9.737 -0.213 2.045 1.00 0.00 C ATOM 631 C TYR A 49 8.809 0.956 1.727 1.00 0.00 C ATOM 632 O TYR A 49 8.068 0.926 0.745 1.00 0.00 O ATOM 633 CB TYR A 49 11.141 0.077 1.510 1.00 0.00 C ATOM 634 CG TYR A 49 12.227 -0.716 2.201 1.00 0.00 C ATOM 635 CD1 TYR A 49 12.488 -2.033 1.842 1.00 0.00 C ATOM 636 CD2 TYR A 49 12.992 -0.150 3.213 1.00 0.00 C ATOM 637 CE1 TYR A 49 13.479 -2.762 2.470 1.00 0.00 C ATOM 638 CE2 TYR A 49 13.986 -0.870 3.846 1.00 0.00 C ATOM 639 CZ TYR A 49 14.226 -2.176 3.471 1.00 0.00 C ATOM 640 OH TYR A 49 15.214 -2.898 4.100 1.00 0.00 O ATOM 0 H TYR A 49 9.131 -1.445 0.460 1.00 0.00 H new ATOM 0 HA TYR A 49 9.785 -0.332 3.127 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.166 -0.141 0.442 1.00 0.00 H new ATOM 0 HB3 TYR A 49 11.351 1.141 1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.906 -2.495 1.058 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.806 0.872 3.510 1.00 0.00 H new ATOM 0 HE1 TYR A 49 13.668 -3.785 2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.572 -0.414 4.630 1.00 0.00 H new ATOM 0 HH TYR A 49 15.646 -2.339 4.779 1.00 0.00 H new ATOM 650 N ALA A 50 8.857 1.986 2.566 1.00 0.00 N ATOM 651 CA ALA A 50 8.023 3.166 2.375 1.00 0.00 C ATOM 652 C ALA A 50 8.874 4.426 2.261 1.00 0.00 C ATOM 653 O ALA A 50 9.496 4.858 3.231 1.00 0.00 O ATOM 654 CB ALA A 50 7.028 3.300 3.518 1.00 0.00 C ATOM 0 H ALA A 50 9.465 2.027 3.384 1.00 0.00 H new ATOM 0 HA ALA A 50 7.473 3.045 1.442 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.412 4.186 3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.391 2.416 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.567 3.395 4.461 1.00 0.00 H new ATOM 660 N VAL A 51 8.898 5.013 1.068 1.00 0.00 N ATOM 661 CA VAL A 51 9.672 6.224 0.827 1.00 0.00 C ATOM 662 C VAL A 51 8.883 7.223 -0.012 1.00 0.00 C ATOM 663 O VAL A 51 8.535 6.945 -1.159 1.00 0.00 O ATOM 664 CB VAL A 51 11.001 5.909 0.115 1.00 0.00 C ATOM 665 CG1 VAL A 51 11.766 7.190 -0.181 1.00 0.00 C ATOM 666 CG2 VAL A 51 11.842 4.958 0.954 1.00 0.00 C ATOM 0 H VAL A 51 8.390 4.669 0.253 1.00 0.00 H new ATOM 0 HA VAL A 51 9.886 6.662 1.802 1.00 0.00 H new ATOM 0 HB VAL A 51 10.778 5.421 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.702 6.947 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.165 7.833 -0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.980 7.710 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.777 4.746 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.057 5.417 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.294 4.028 1.109 1.00 0.00 H new ATOM 676 N GLU A 52 8.606 8.387 0.568 1.00 0.00 N ATOM 677 CA GLU A 52 7.858 9.427 -0.128 1.00 0.00 C ATOM 678 C GLU A 52 6.434 8.965 -0.427 1.00 0.00 C ATOM 679 O GLU A 52 5.892 9.245 -1.497 1.00 0.00 O ATOM 680 CB GLU A 52 8.565 9.812 -1.429 1.00 0.00 C ATOM 681 CG GLU A 52 9.944 10.414 -1.217 1.00 0.00 C ATOM 682 CD GLU A 52 10.515 11.024 -2.482 1.00 0.00 C ATOM 683 OE1 GLU A 52 9.722 11.472 -3.336 1.00 0.00 O ATOM 684 OE2 GLU A 52 11.756 11.052 -2.619 1.00 0.00 O ATOM 0 H GLU A 52 8.888 8.633 1.517 1.00 0.00 H new ATOM 0 HA GLU A 52 7.810 10.301 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.657 8.927 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.946 10.526 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.887 11.179 -0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.621 9.642 -0.853 1.00 0.00 H new ATOM 691 N ARG A 53 5.836 8.257 0.524 1.00 0.00 N ATOM 692 CA ARG A 53 4.477 7.754 0.363 1.00 0.00 C ATOM 693 C ARG A 53 4.399 6.757 -0.790 1.00 0.00 C ATOM 694 O ARG A 53 3.447 6.768 -1.570 1.00 0.00 O ATOM 695 CB ARG A 53 3.508 8.913 0.115 1.00 0.00 C ATOM 696 CG ARG A 53 3.531 9.970 1.207 1.00 0.00 C ATOM 697 CD ARG A 53 2.557 11.099 0.909 1.00 0.00 C ATOM 698 NE ARG A 53 2.113 11.773 2.126 1.00 0.00 N ATOM 699 CZ ARG A 53 1.614 13.004 2.144 1.00 0.00 C ATOM 700 NH1 ARG A 53 1.496 13.692 1.016 1.00 0.00 N ATOM 701 NH2 ARG A 53 1.231 13.550 3.291 1.00 0.00 N ATOM 0 H ARG A 53 6.271 8.018 1.415 1.00 0.00 H new ATOM 0 HA ARG A 53 4.194 7.242 1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.752 9.382 -0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.496 8.517 0.026 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.278 9.512 2.163 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.539 10.373 1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.032 11.822 0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.692 10.701 0.379 1.00 0.00 H new ATOM 0 HE ARG A 53 2.190 11.271 3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.789 13.276 0.132 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.112 14.637 1.033 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.320 13.024 4.161 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.848 14.495 3.303 1.00 0.00 H new ATOM 715 N ARG A 54 5.408 5.897 -0.890 1.00 0.00 N ATOM 716 CA ARG A 54 5.454 4.895 -1.948 1.00 0.00 C ATOM 717 C ARG A 54 5.761 3.514 -1.375 1.00 0.00 C ATOM 718 O ARG A 54 5.968 3.363 -0.171 1.00 0.00 O ATOM 719 CB ARG A 54 6.509 5.272 -2.990 1.00 0.00 C ATOM 720 CG ARG A 54 6.030 6.309 -3.992 1.00 0.00 C ATOM 721 CD ARG A 54 6.682 6.112 -5.352 1.00 0.00 C ATOM 722 NE ARG A 54 5.929 6.766 -6.420 1.00 0.00 N ATOM 723 CZ ARG A 54 6.144 8.018 -6.810 1.00 0.00 C ATOM 724 NH1 ARG A 54 7.083 8.746 -6.224 1.00 0.00 N ATOM 725 NH2 ARG A 54 5.417 8.542 -7.789 1.00 0.00 N ATOM 0 H ARG A 54 6.203 5.874 -0.252 1.00 0.00 H new ATOM 0 HA ARG A 54 4.475 4.862 -2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.393 5.654 -2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.815 4.374 -3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.947 6.245 -4.094 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.257 7.308 -3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.697 6.509 -5.328 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.762 5.046 -5.565 1.00 0.00 H new ATOM 0 HE ARG A 54 5.199 6.233 -6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.643 8.346 -5.471 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.246 9.707 -6.525 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.693 7.984 -8.242 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.582 9.503 -8.088 1.00 0.00 H new ATOM 739 N ALA A 55 5.787 2.511 -2.246 1.00 0.00 N ATOM 740 CA ALA A 55 6.069 1.143 -1.827 1.00 0.00 C ATOM 741 C ALA A 55 7.157 0.517 -2.693 1.00 0.00 C ATOM 742 O ALA A 55 6.959 0.289 -3.887 1.00 0.00 O ATOM 743 CB ALA A 55 4.802 0.303 -1.879 1.00 0.00 C ATOM 0 H ALA A 55 5.616 2.620 -3.246 1.00 0.00 H new ATOM 0 HA ALA A 55 6.431 1.171 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.028 -0.716 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.054 0.732 -1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.416 0.290 -2.898 1.00 0.00 H new ATOM 749 N TYR A 56 8.306 0.243 -2.085 1.00 0.00 N ATOM 750 CA TYR A 56 9.427 -0.353 -2.802 1.00 0.00 C ATOM 751 C TYR A 56 9.822 -1.689 -2.180 1.00 0.00 C ATOM 752 O TYR A 56 10.101 -1.773 -0.984 1.00 0.00 O ATOM 753 CB TYR A 56 10.625 0.597 -2.800 1.00 0.00 C ATOM 754 CG TYR A 56 10.389 1.871 -3.579 1.00 0.00 C ATOM 755 CD1 TYR A 56 10.539 1.903 -4.960 1.00 0.00 C ATOM 756 CD2 TYR A 56 10.013 3.044 -2.934 1.00 0.00 C ATOM 757 CE1 TYR A 56 10.325 3.065 -5.676 1.00 0.00 C ATOM 758 CE2 TYR A 56 9.796 4.210 -3.642 1.00 0.00 C ATOM 759 CZ TYR A 56 9.953 4.215 -5.012 1.00 0.00 C ATOM 760 OH TYR A 56 9.738 5.375 -5.722 1.00 0.00 O ATOM 0 H TYR A 56 8.485 0.424 -1.097 1.00 0.00 H new ATOM 0 HA TYR A 56 9.114 -0.529 -3.831 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.874 0.852 -1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.489 0.080 -3.218 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.828 1.003 -5.483 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.889 3.043 -1.861 1.00 0.00 H new ATOM 0 HE1 TYR A 56 10.448 3.073 -6.749 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.505 5.113 -3.125 1.00 0.00 H new ATOM 0 HH TYR A 56 9.420 5.153 -6.622 1.00 0.00 H new ATOM 770 N CYS A 57 9.844 -2.733 -3.002 1.00 0.00 N ATOM 771 CA CYS A 57 10.205 -4.067 -2.536 1.00 0.00 C ATOM 772 C CYS A 57 11.682 -4.128 -2.155 1.00 0.00 C ATOM 773 O CYS A 57 12.516 -3.454 -2.757 1.00 0.00 O ATOM 774 CB CYS A 57 9.902 -5.107 -3.616 1.00 0.00 C ATOM 775 SG CYS A 57 10.797 -4.838 -5.179 1.00 0.00 S ATOM 0 H CYS A 57 9.616 -2.681 -3.995 1.00 0.00 H new ATOM 0 HA CYS A 57 9.609 -4.289 -1.651 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.151 -6.096 -3.233 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.831 -5.104 -3.818 1.00 0.00 H new ATOM 780 N GLU A 58 11.995 -4.943 -1.152 1.00 0.00 N ATOM 781 CA GLU A 58 13.370 -5.092 -0.691 1.00 0.00 C ATOM 782 C GLU A 58 14.351 -4.961 -1.853 1.00 0.00 C ATOM 783 O GLU A 58 15.215 -4.086 -1.853 1.00 0.00 O ATOM 784 CB GLU A 58 13.557 -6.446 -0.002 1.00 0.00 C ATOM 785 CG GLU A 58 14.796 -6.517 0.874 1.00 0.00 C ATOM 786 CD GLU A 58 14.961 -7.869 1.542 1.00 0.00 C ATOM 787 OE1 GLU A 58 14.432 -8.046 2.659 1.00 0.00 O ATOM 788 OE2 GLU A 58 15.620 -8.748 0.948 1.00 0.00 O ATOM 0 H GLU A 58 11.316 -5.509 -0.644 1.00 0.00 H new ATOM 0 HA GLU A 58 13.574 -4.296 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.679 -6.658 0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.614 -7.226 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.677 -6.305 0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.741 -5.742 1.639 1.00 0.00 H new ATOM 795 N GLY A 59 14.209 -5.839 -2.841 1.00 0.00 N ATOM 796 CA GLY A 59 15.089 -5.805 -3.995 1.00 0.00 C ATOM 797 C GLY A 59 15.309 -4.398 -4.515 1.00 0.00 C ATOM 798 O GLY A 59 16.429 -3.886 -4.484 1.00 0.00 O ATOM 0 H GLY A 59 13.501 -6.573 -2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.050 -6.245 -3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.666 -6.421 -4.789 1.00 0.00 H new ATOM 802 N CYS A 60 14.240 -3.772 -4.995 1.00 0.00 N ATOM 803 CA CYS A 60 14.322 -2.417 -5.526 1.00 0.00 C ATOM 804 C CYS A 60 14.936 -1.467 -4.502 1.00 0.00 C ATOM 805 O CYS A 60 15.967 -0.844 -4.757 1.00 0.00 O ATOM 806 CB CYS A 60 12.932 -1.920 -5.929 1.00 0.00 C ATOM 807 SG CYS A 60 12.391 -2.479 -7.576 1.00 0.00 S ATOM 0 H CYS A 60 13.306 -4.182 -5.027 1.00 0.00 H new ATOM 0 HA CYS A 60 14.964 -2.437 -6.407 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.208 -2.257 -5.187 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.927 -0.830 -5.907 1.00 0.00 H new ATOM 812 N TYR A 61 14.296 -1.362 -3.343 1.00 0.00 N ATOM 813 CA TYR A 61 14.778 -0.487 -2.280 1.00 0.00 C ATOM 814 C TYR A 61 16.301 -0.521 -2.195 1.00 0.00 C ATOM 815 O TYR A 61 16.949 0.511 -2.021 1.00 0.00 O ATOM 816 CB TYR A 61 14.172 -0.898 -0.938 1.00 0.00 C ATOM 817 CG TYR A 61 14.696 -0.099 0.234 1.00 0.00 C ATOM 818 CD1 TYR A 61 14.162 1.145 0.547 1.00 0.00 C ATOM 819 CD2 TYR A 61 15.727 -0.588 1.027 1.00 0.00 C ATOM 820 CE1 TYR A 61 14.638 1.878 1.616 1.00 0.00 C ATOM 821 CE2 TYR A 61 16.209 0.139 2.099 1.00 0.00 C ATOM 822 CZ TYR A 61 15.662 1.371 2.389 1.00 0.00 C ATOM 823 OH TYR A 61 16.140 2.098 3.455 1.00 0.00 O ATOM 0 H TYR A 61 13.442 -1.872 -3.115 1.00 0.00 H new ATOM 0 HA TYR A 61 14.468 0.531 -2.514 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.089 -0.785 -0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.375 -1.955 -0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.361 1.546 -0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 61 16.159 -1.552 0.802 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.211 2.843 1.846 1.00 0.00 H new ATOM 0 HE2 TYR A 61 17.010 -0.256 2.706 1.00 0.00 H new ATOM 0 HH TYR A 61 16.859 1.599 3.895 1.00 0.00 H new ATOM 833 N VAL A 62 16.867 -1.718 -2.319 1.00 0.00 N ATOM 834 CA VAL A 62 18.314 -1.889 -2.257 1.00 0.00 C ATOM 835 C VAL A 62 18.977 -1.424 -3.549 1.00 0.00 C ATOM 836 O VAL A 62 20.029 -0.785 -3.523 1.00 0.00 O ATOM 837 CB VAL A 62 18.695 -3.359 -1.998 1.00 0.00 C ATOM 838 CG1 VAL A 62 20.206 -3.531 -2.022 1.00 0.00 C ATOM 839 CG2 VAL A 62 18.117 -3.832 -0.673 1.00 0.00 C ATOM 0 H VAL A 62 16.346 -2.583 -2.463 1.00 0.00 H new ATOM 0 HA VAL A 62 18.670 -1.278 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 62 18.271 -3.972 -2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 62 20.456 -4.576 -1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 62 20.591 -3.233 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 62 20.655 -2.908 -1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 62 18.395 -4.872 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 62 18.510 -3.216 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 62 17.031 -3.747 -0.699 1.00 0.00 H new ATOM 849 N ALA A 63 18.356 -1.749 -4.678 1.00 0.00 N ATOM 850 CA ALA A 63 18.884 -1.363 -5.980 1.00 0.00 C ATOM 851 C ALA A 63 18.979 0.154 -6.106 1.00 0.00 C ATOM 852 O ALA A 63 19.944 0.684 -6.658 1.00 0.00 O ATOM 853 CB ALA A 63 18.017 -1.934 -7.092 1.00 0.00 C ATOM 0 H ALA A 63 17.486 -2.279 -4.717 1.00 0.00 H new ATOM 0 HA ALA A 63 19.890 -1.773 -6.073 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.423 -1.637 -8.059 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.005 -3.022 -7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.001 -1.553 -6.993 1.00 0.00 H new ATOM 859 N THR A 64 17.970 0.850 -5.590 1.00 0.00 N ATOM 860 CA THR A 64 17.938 2.306 -5.647 1.00 0.00 C ATOM 861 C THR A 64 19.144 2.910 -4.935 1.00 0.00 C ATOM 862 O THR A 64 19.810 3.799 -5.468 1.00 0.00 O ATOM 863 CB THR A 64 16.650 2.865 -5.014 1.00 0.00 C ATOM 864 OG1 THR A 64 16.577 2.486 -3.635 1.00 0.00 O ATOM 865 CG2 THR A 64 15.420 2.356 -5.751 1.00 0.00 C ATOM 0 H THR A 64 17.164 0.428 -5.128 1.00 0.00 H new ATOM 0 HA THR A 64 17.965 2.582 -6.701 1.00 0.00 H new ATOM 0 HB THR A 64 16.676 3.952 -5.090 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.904 1.568 -3.530 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.523 2.764 -5.286 1.00 0.00 H new ATOM 0 HG22 THR A 64 15.464 2.671 -6.793 1.00 0.00 H new ATOM 0 HG23 THR A 64 15.391 1.267 -5.702 1.00 0.00 H new ATOM 873 N LEU A 65 19.419 2.423 -3.731 1.00 0.00 N ATOM 874 CA LEU A 65 20.546 2.915 -2.946 1.00 0.00 C ATOM 875 C LEU A 65 21.800 3.031 -3.807 1.00 0.00 C ATOM 876 O LEU A 65 22.461 4.069 -3.821 1.00 0.00 O ATOM 877 CB LEU A 65 20.811 1.986 -1.760 1.00 0.00 C ATOM 878 CG LEU A 65 19.656 1.809 -0.774 1.00 0.00 C ATOM 879 CD1 LEU A 65 19.953 0.679 0.199 1.00 0.00 C ATOM 880 CD2 LEU A 65 19.392 3.106 -0.024 1.00 0.00 C ATOM 0 H LEU A 65 18.877 1.688 -3.276 1.00 0.00 H new ATOM 0 HA LEU A 65 20.292 3.907 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 65 21.085 1.005 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 65 21.674 2.365 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 65 18.759 1.549 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 65 19.120 0.568 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 65 20.091 -0.250 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 65 20.861 0.908 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 65 18.567 2.962 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 65 20.286 3.396 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 65 19.133 3.891 -0.735 1.00 0.00 H new ATOM 892 N GLU A 66 22.120 1.958 -4.524 1.00 0.00 N ATOM 893 CA GLU A 66 23.294 1.941 -5.389 1.00 0.00 C ATOM 894 C GLU A 66 23.466 3.280 -6.099 1.00 0.00 C ATOM 895 O GLU A 66 24.441 3.996 -5.870 1.00 0.00 O ATOM 896 CB GLU A 66 23.179 0.815 -6.419 1.00 0.00 C ATOM 897 CG GLU A 66 23.488 -0.561 -5.854 1.00 0.00 C ATOM 898 CD GLU A 66 24.965 -0.900 -5.918 1.00 0.00 C ATOM 899 OE1 GLU A 66 25.582 -0.666 -6.978 1.00 0.00 O ATOM 900 OE2 GLU A 66 25.503 -1.399 -4.908 1.00 0.00 O ATOM 0 H GLU A 66 21.584 1.090 -4.523 1.00 0.00 H new ATOM 0 HA GLU A 66 24.171 1.765 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 66 22.169 0.811 -6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 66 23.859 1.020 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 66 23.153 -0.608 -4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 66 22.923 -1.312 -6.406 1.00 0.00 H new ATOM 907 N SER A 67 22.512 3.612 -6.964 1.00 0.00 N ATOM 908 CA SER A 67 22.560 4.863 -7.712 1.00 0.00 C ATOM 909 C SER A 67 22.253 6.050 -6.804 1.00 0.00 C ATOM 910 O SER A 67 22.649 7.181 -7.087 1.00 0.00 O ATOM 911 CB SER A 67 21.566 4.825 -8.874 1.00 0.00 C ATOM 912 OG SER A 67 20.363 4.178 -8.495 1.00 0.00 O ATOM 0 H SER A 67 21.697 3.032 -7.164 1.00 0.00 H new ATOM 0 HA SER A 67 23.568 4.982 -8.109 1.00 0.00 H new ATOM 0 HB2 SER A 67 21.348 5.841 -9.204 1.00 0.00 H new ATOM 0 HB3 SER A 67 22.012 4.304 -9.721 1.00 0.00 H new ATOM 0 HG SER A 67 19.744 4.168 -9.254 1.00 0.00 H new ATOM 918 N GLY A 68 21.545 5.785 -5.711 1.00 0.00 N ATOM 919 CA GLY A 68 21.197 6.840 -4.778 1.00 0.00 C ATOM 920 C GLY A 68 22.417 7.487 -4.152 1.00 0.00 C ATOM 921 O GLY A 68 23.231 6.829 -3.504 1.00 0.00 O ATOM 0 H GLY A 68 21.206 4.858 -5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.612 7.600 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.563 6.431 -3.992 1.00 0.00 H new ATOM 925 N PRO A 69 22.556 8.807 -4.346 1.00 0.00 N ATOM 926 CA PRO A 69 23.684 9.571 -3.805 1.00 0.00 C ATOM 927 C PRO A 69 23.621 9.701 -2.287 1.00 0.00 C ATOM 928 O PRO A 69 24.342 10.503 -1.692 1.00 0.00 O ATOM 929 CB PRO A 69 23.532 10.944 -4.466 1.00 0.00 C ATOM 930 CG PRO A 69 22.081 11.051 -4.787 1.00 0.00 C ATOM 931 CD PRO A 69 21.624 9.654 -5.108 1.00 0.00 C ATOM 0 HA PRO A 69 24.639 9.088 -4.009 1.00 0.00 H new ATOM 0 HB2 PRO A 69 23.849 11.743 -3.796 1.00 0.00 H new ATOM 0 HB3 PRO A 69 24.143 11.020 -5.365 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.524 11.460 -3.944 1.00 0.00 H new ATOM 0 HG3 PRO A 69 21.916 11.719 -5.632 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.590 9.489 -4.803 1.00 0.00 H new ATOM 0 HD3 PRO A 69 21.678 9.449 -6.177 1.00 0.00 H new ATOM 939 N SER A 70 22.754 8.908 -1.665 1.00 0.00 N ATOM 940 CA SER A 70 22.595 8.938 -0.216 1.00 0.00 C ATOM 941 C SER A 70 23.920 9.255 0.470 1.00 0.00 C ATOM 942 O SER A 70 23.976 10.075 1.386 1.00 0.00 O ATOM 943 CB SER A 70 22.056 7.597 0.287 1.00 0.00 C ATOM 944 OG SER A 70 21.638 7.689 1.637 1.00 0.00 O ATOM 0 H SER A 70 22.151 8.237 -2.142 1.00 0.00 H new ATOM 0 HA SER A 70 21.881 9.724 0.030 1.00 0.00 H new ATOM 0 HB2 SER A 70 21.219 7.282 -0.335 1.00 0.00 H new ATOM 0 HB3 SER A 70 22.828 6.833 0.193 1.00 0.00 H new ATOM 0 HG SER A 70 21.297 6.820 1.934 1.00 0.00 H new ATOM 950 N SER A 71 24.984 8.599 0.020 1.00 0.00 N ATOM 951 CA SER A 71 26.309 8.808 0.592 1.00 0.00 C ATOM 952 C SER A 71 26.938 10.089 0.054 1.00 0.00 C ATOM 953 O SER A 71 27.119 10.246 -1.153 1.00 0.00 O ATOM 954 CB SER A 71 27.215 7.613 0.284 1.00 0.00 C ATOM 955 OG SER A 71 28.455 7.726 0.960 1.00 0.00 O ATOM 0 H SER A 71 24.955 7.918 -0.739 1.00 0.00 H new ATOM 0 HA SER A 71 26.200 8.904 1.672 1.00 0.00 H new ATOM 0 HB2 SER A 71 26.718 6.690 0.581 1.00 0.00 H new ATOM 0 HB3 SER A 71 27.387 7.551 -0.790 1.00 0.00 H new ATOM 0 HG SER A 71 29.015 6.950 0.748 1.00 0.00 H new ATOM 961 N GLY A 72 27.268 11.005 0.960 1.00 0.00 N ATOM 962 CA GLY A 72 27.873 12.261 0.558 1.00 0.00 C ATOM 963 C GLY A 72 27.788 13.318 1.641 1.00 0.00 C ATOM 964 O GLY A 72 26.717 13.889 1.839 1.00 0.00 O ATOM 0 H GLY A 72 27.127 10.899 1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 72 28.919 12.091 0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 72 27.379 12.627 -0.342 1.00 0.00 H new TER 968 GLY A 72 HETATM 969 ZN ZN A 201 -7.809 -1.581 -5.939 1.00 0.00 ZN HETATM 970 ZN ZN A 401 10.311 -3.256 -6.852 1.00 0.00 ZN