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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 154:sc= 0.00557 USER MOD Single : A 37 SER OG : rot -140:sc= 0.0392 USER MOD Single : A 38 THR OG1 : rot 74:sc= -0.137 USER MOD Single : A 42 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.9!) USER MOD Single : A 46 GLN : amide:sc= -2.31! K(o=-2.3!,f=-1.6) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -40:sc= 0.964 USER MOD Single : A 67 SER OG : rot 180:sc= 0 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 -23.604 12.506 -0.481 1.00 0.00 N ATOM 2 CA GLY A 1 -22.401 12.009 0.160 1.00 0.00 C ATOM 3 C GLY A 1 -21.308 11.677 -0.837 1.00 0.00 C ATOM 4 O GLY A 1 -21.189 10.536 -1.282 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.320 12.718 0.242 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.382 13.372 -1.013 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.973 11.785 -1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.033 12.756 0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.643 11.118 0.739 1.00 0.00 H new ATOM 8 N SER A 2 -20.508 12.678 -1.190 1.00 0.00 N ATOM 9 CA SER A 2 -19.422 12.489 -2.145 1.00 0.00 C ATOM 10 C SER A 2 -18.757 11.129 -1.949 1.00 0.00 C ATOM 11 O SER A 2 -18.593 10.364 -2.899 1.00 0.00 O ATOM 12 CB SER A 2 -18.384 13.603 -1.998 1.00 0.00 C ATOM 13 OG SER A 2 -18.929 14.859 -2.361 1.00 0.00 O ATOM 0 H SER A 2 -20.591 13.628 -0.829 1.00 0.00 H new ATOM 0 HA SER A 2 -19.844 12.527 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.030 13.641 -0.968 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.519 13.384 -2.624 1.00 0.00 H new ATOM 0 HG SER A 2 -18.246 15.554 -2.257 1.00 0.00 H new ATOM 19 N SER A 3 -18.377 10.837 -0.710 1.00 0.00 N ATOM 20 CA SER A 3 -17.727 9.572 -0.388 1.00 0.00 C ATOM 21 C SER A 3 -18.101 9.110 1.017 1.00 0.00 C ATOM 22 O SER A 3 -18.376 9.924 1.897 1.00 0.00 O ATOM 23 CB SER A 3 -16.207 9.712 -0.503 1.00 0.00 C ATOM 24 OG SER A 3 -15.570 8.450 -0.407 1.00 0.00 O ATOM 0 H SER A 3 -18.508 11.459 0.088 1.00 0.00 H new ATOM 0 HA SER A 3 -18.072 8.823 -1.101 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.953 10.180 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.839 10.370 0.284 1.00 0.00 H new ATOM 0 HG SER A 3 -14.600 8.566 -0.485 1.00 0.00 H new ATOM 30 N GLY A 4 -18.111 7.796 1.218 1.00 0.00 N ATOM 31 CA GLY A 4 -18.454 7.247 2.517 1.00 0.00 C ATOM 32 C GLY A 4 -18.187 5.757 2.605 1.00 0.00 C ATOM 33 O GLY A 4 -19.042 4.992 3.051 1.00 0.00 O ATOM 0 H GLY A 4 -17.888 7.102 0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.881 7.762 3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.508 7.437 2.722 1.00 0.00 H new ATOM 37 N SER A 5 -16.999 5.344 2.177 1.00 0.00 N ATOM 38 CA SER A 5 -16.624 3.935 2.205 1.00 0.00 C ATOM 39 C SER A 5 -15.107 3.776 2.207 1.00 0.00 C ATOM 40 O SER A 5 -14.374 4.703 1.863 1.00 0.00 O ATOM 41 CB SER A 5 -17.224 3.202 1.003 1.00 0.00 C ATOM 42 OG SER A 5 -16.624 3.632 -0.207 1.00 0.00 O ATOM 0 H SER A 5 -16.279 5.965 1.807 1.00 0.00 H new ATOM 0 HA SER A 5 -17.018 3.498 3.122 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.083 2.128 1.121 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.299 3.380 0.963 1.00 0.00 H new ATOM 0 HG SER A 5 -17.023 3.148 -0.960 1.00 0.00 H new ATOM 48 N SER A 6 -14.643 2.593 2.597 1.00 0.00 N ATOM 49 CA SER A 6 -13.213 2.312 2.648 1.00 0.00 C ATOM 50 C SER A 6 -12.556 2.591 1.299 1.00 0.00 C ATOM 51 O SER A 6 -11.474 3.173 1.232 1.00 0.00 O ATOM 52 CB SER A 6 -12.971 0.857 3.054 1.00 0.00 C ATOM 53 OG SER A 6 -13.649 -0.034 2.185 1.00 0.00 O ATOM 0 H SER A 6 -15.236 1.814 2.882 1.00 0.00 H new ATOM 0 HA SER A 6 -12.766 2.969 3.394 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.902 0.644 3.037 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.311 0.700 4.078 1.00 0.00 H new ATOM 0 HG SER A 6 -13.181 -0.895 2.170 1.00 0.00 H new ATOM 59 N GLY A 7 -13.219 2.171 0.227 1.00 0.00 N ATOM 60 CA GLY A 7 -12.686 2.384 -1.106 1.00 0.00 C ATOM 61 C GLY A 7 -11.255 1.902 -1.242 1.00 0.00 C ATOM 62 O GLY A 7 -10.635 1.491 -0.261 1.00 0.00 O ATOM 0 H GLY A 7 -14.116 1.687 0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.312 1.864 -1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.733 3.446 -1.347 1.00 0.00 H new ATOM 66 N CYS A 8 -10.729 1.951 -2.461 1.00 0.00 N ATOM 67 CA CYS A 8 -9.363 1.515 -2.723 1.00 0.00 C ATOM 68 C CYS A 8 -8.488 2.691 -3.147 1.00 0.00 C ATOM 69 O CYS A 8 -8.611 3.200 -4.261 1.00 0.00 O ATOM 70 CB CYS A 8 -9.349 0.437 -3.809 1.00 0.00 C ATOM 71 SG CYS A 8 -7.679 -0.064 -4.338 1.00 0.00 S ATOM 0 H CYS A 8 -11.229 2.289 -3.284 1.00 0.00 H new ATOM 0 HA CYS A 8 -8.958 1.098 -1.801 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.881 -0.441 -3.442 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.899 0.803 -4.676 1.00 0.00 H new ATOM 76 N GLY A 9 -7.604 3.118 -2.251 1.00 0.00 N ATOM 77 CA GLY A 9 -6.722 4.231 -2.550 1.00 0.00 C ATOM 78 C GLY A 9 -6.008 4.064 -3.877 1.00 0.00 C ATOM 79 O GLY A 9 -5.662 5.046 -4.532 1.00 0.00 O ATOM 0 H GLY A 9 -7.483 2.713 -1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.300 5.155 -2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.984 4.330 -1.754 1.00 0.00 H new ATOM 83 N GLY A 10 -5.786 2.814 -4.275 1.00 0.00 N ATOM 84 CA GLY A 10 -5.108 2.545 -5.529 1.00 0.00 C ATOM 85 C GLY A 10 -5.950 2.914 -6.734 1.00 0.00 C ATOM 86 O GLY A 10 -5.677 3.905 -7.413 1.00 0.00 O ATOM 0 H GLY A 10 -6.064 1.984 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.172 3.103 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.851 1.487 -5.580 1.00 0.00 H new ATOM 90 N CYS A 11 -6.978 2.115 -7.003 1.00 0.00 N ATOM 91 CA CYS A 11 -7.862 2.361 -8.136 1.00 0.00 C ATOM 92 C CYS A 11 -9.111 3.119 -7.696 1.00 0.00 C ATOM 93 O CYS A 11 -9.522 4.085 -8.337 1.00 0.00 O ATOM 94 CB CYS A 11 -8.260 1.039 -8.795 1.00 0.00 C ATOM 95 SG CYS A 11 -9.121 -0.118 -7.681 1.00 0.00 S ATOM 0 H CYS A 11 -7.219 1.292 -6.451 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.323 2.972 -8.860 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.903 1.250 -9.649 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.364 0.554 -9.183 1.00 0.00 H new ATOM 100 N GLY A 12 -9.711 2.673 -6.596 1.00 0.00 N ATOM 101 CA GLY A 12 -10.907 3.321 -6.089 1.00 0.00 C ATOM 102 C GLY A 12 -12.004 2.331 -5.753 1.00 0.00 C ATOM 103 O GLY A 12 -12.866 2.609 -4.920 1.00 0.00 O ATOM 0 H GLY A 12 -9.390 1.875 -6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.655 3.896 -5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.276 4.029 -6.831 1.00 0.00 H new ATOM 107 N GLU A 13 -11.974 1.172 -6.404 1.00 0.00 N ATOM 108 CA GLU A 13 -12.976 0.139 -6.171 1.00 0.00 C ATOM 109 C GLU A 13 -13.095 -0.177 -4.683 1.00 0.00 C ATOM 110 O GLU A 13 -12.137 -0.022 -3.926 1.00 0.00 O ATOM 111 CB GLU A 13 -12.621 -1.132 -6.946 1.00 0.00 C ATOM 112 CG GLU A 13 -12.987 -1.067 -8.420 1.00 0.00 C ATOM 113 CD GLU A 13 -14.398 -1.550 -8.692 1.00 0.00 C ATOM 114 OE1 GLU A 13 -14.890 -2.409 -7.930 1.00 0.00 O ATOM 115 OE2 GLU A 13 -15.011 -1.067 -9.667 1.00 0.00 O ATOM 0 H GLU A 13 -11.267 0.925 -7.096 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.936 0.515 -6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.551 -1.317 -6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.132 -1.980 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.884 -0.040 -8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.283 -1.671 -8.992 1.00 0.00 H new ATOM 122 N ASP A 14 -14.278 -0.621 -4.271 1.00 0.00 N ATOM 123 CA ASP A 14 -14.524 -0.959 -2.874 1.00 0.00 C ATOM 124 C ASP A 14 -13.558 -2.040 -2.399 1.00 0.00 C ATOM 125 O ASP A 14 -13.393 -3.071 -3.051 1.00 0.00 O ATOM 126 CB ASP A 14 -15.967 -1.430 -2.688 1.00 0.00 C ATOM 127 CG ASP A 14 -16.977 -0.399 -3.152 1.00 0.00 C ATOM 128 OD1 ASP A 14 -16.748 0.805 -2.912 1.00 0.00 O ATOM 129 OD2 ASP A 14 -17.997 -0.796 -3.754 1.00 0.00 O ATOM 0 H ASP A 14 -15.081 -0.755 -4.885 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.362 -0.063 -2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.118 -2.357 -3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -16.140 -1.656 -1.636 1.00 0.00 H new ATOM 134 N VAL A 15 -12.920 -1.796 -1.258 1.00 0.00 N ATOM 135 CA VAL A 15 -11.970 -2.748 -0.695 1.00 0.00 C ATOM 136 C VAL A 15 -12.619 -3.592 0.396 1.00 0.00 C ATOM 137 O VAL A 15 -12.798 -3.135 1.525 1.00 0.00 O ATOM 138 CB VAL A 15 -10.737 -2.033 -0.111 1.00 0.00 C ATOM 139 CG1 VAL A 15 -9.806 -3.032 0.558 1.00 0.00 C ATOM 140 CG2 VAL A 15 -10.008 -1.256 -1.197 1.00 0.00 C ATOM 0 H VAL A 15 -13.044 -0.947 -0.706 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.651 -3.397 -1.511 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.074 -1.325 0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.941 -2.508 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.335 -3.539 1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.473 -3.767 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.140 -0.757 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.682 -1.942 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.679 -0.511 -1.625 1.00 0.00 H new ATOM 150 N VAL A 16 -12.969 -4.827 0.052 1.00 0.00 N ATOM 151 CA VAL A 16 -13.598 -5.737 1.003 1.00 0.00 C ATOM 152 C VAL A 16 -12.558 -6.393 1.904 1.00 0.00 C ATOM 153 O VAL A 16 -11.459 -6.727 1.462 1.00 0.00 O ATOM 154 CB VAL A 16 -14.403 -6.834 0.282 1.00 0.00 C ATOM 155 CG1 VAL A 16 -15.105 -7.731 1.290 1.00 0.00 C ATOM 156 CG2 VAL A 16 -15.404 -6.214 -0.681 1.00 0.00 C ATOM 0 H VAL A 16 -12.828 -5.221 -0.878 1.00 0.00 H new ATOM 0 HA VAL A 16 -14.277 -5.140 1.612 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.712 -7.448 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.669 -8.500 0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.364 -8.203 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.786 -7.134 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.964 -7.004 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -16.093 -5.575 -0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.873 -5.618 -1.424 1.00 0.00 H new ATOM 166 N GLY A 17 -12.913 -6.577 3.172 1.00 0.00 N ATOM 167 CA GLY A 17 -12.000 -7.194 4.116 1.00 0.00 C ATOM 168 C GLY A 17 -11.842 -8.683 3.882 1.00 0.00 C ATOM 169 O GLY A 17 -11.893 -9.148 2.743 1.00 0.00 O ATOM 0 H GLY A 17 -13.817 -6.310 3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.025 -6.712 4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.362 -7.025 5.130 1.00 0.00 H new ATOM 173 N ASP A 18 -11.647 -9.433 4.961 1.00 0.00 N ATOM 174 CA ASP A 18 -11.480 -10.878 4.867 1.00 0.00 C ATOM 175 C ASP A 18 -10.167 -11.230 4.174 1.00 0.00 C ATOM 176 O ASP A 18 -10.132 -12.074 3.280 1.00 0.00 O ATOM 177 CB ASP A 18 -12.653 -11.501 4.109 1.00 0.00 C ATOM 178 CG ASP A 18 -13.996 -11.062 4.660 1.00 0.00 C ATOM 179 OD1 ASP A 18 -14.450 -9.955 4.302 1.00 0.00 O ATOM 180 OD2 ASP A 18 -14.593 -11.825 5.448 1.00 0.00 O ATOM 0 H ASP A 18 -11.601 -9.064 5.911 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.456 -11.282 5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.588 -11.227 3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.580 -12.587 4.161 1.00 0.00 H new ATOM 185 N GLY A 19 -9.088 -10.575 4.594 1.00 0.00 N ATOM 186 CA GLY A 19 -7.788 -10.832 4.003 1.00 0.00 C ATOM 187 C GLY A 19 -7.687 -10.318 2.580 1.00 0.00 C ATOM 188 O GLY A 19 -6.897 -10.825 1.785 1.00 0.00 O ATOM 0 H GLY A 19 -9.092 -9.872 5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.016 -10.361 4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.593 -11.904 4.014 1.00 0.00 H new ATOM 192 N ALA A 20 -8.491 -9.310 2.258 1.00 0.00 N ATOM 193 CA ALA A 20 -8.489 -8.728 0.922 1.00 0.00 C ATOM 194 C ALA A 20 -8.080 -7.260 0.963 1.00 0.00 C ATOM 195 O ALA A 20 -7.536 -6.729 -0.005 1.00 0.00 O ATOM 196 CB ALA A 20 -9.859 -8.878 0.278 1.00 0.00 C ATOM 0 H ALA A 20 -9.152 -8.880 2.905 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.756 -9.266 0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.842 -8.439 -0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.113 -9.936 0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.605 -8.367 0.887 1.00 0.00 H new ATOM 202 N GLY A 21 -8.345 -6.608 2.091 1.00 0.00 N ATOM 203 CA GLY A 21 -7.998 -5.206 2.237 1.00 0.00 C ATOM 204 C GLY A 21 -6.588 -5.009 2.756 1.00 0.00 C ATOM 205 O GLY A 21 -6.314 -5.237 3.934 1.00 0.00 O ATOM 0 H GLY A 21 -8.794 -7.025 2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.100 -4.707 1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.703 -4.730 2.919 1.00 0.00 H new ATOM 209 N VAL A 22 -5.688 -4.585 1.873 1.00 0.00 N ATOM 210 CA VAL A 22 -4.298 -4.357 2.248 1.00 0.00 C ATOM 211 C VAL A 22 -4.011 -2.870 2.417 1.00 0.00 C ATOM 212 O VAL A 22 -3.934 -2.126 1.439 1.00 0.00 O ATOM 213 CB VAL A 22 -3.332 -4.940 1.200 1.00 0.00 C ATOM 214 CG1 VAL A 22 -1.893 -4.838 1.684 1.00 0.00 C ATOM 215 CG2 VAL A 22 -3.695 -6.383 0.884 1.00 0.00 C ATOM 0 H VAL A 22 -5.897 -4.393 0.893 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.139 -4.864 3.200 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.424 -4.357 0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.225 -5.255 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.640 -3.792 1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.782 -5.394 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.002 -6.778 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.633 -6.981 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.711 -6.425 0.490 1.00 0.00 H new ATOM 225 N VAL A 23 -3.852 -2.441 3.665 1.00 0.00 N ATOM 226 CA VAL A 23 -3.571 -1.042 3.963 1.00 0.00 C ATOM 227 C VAL A 23 -2.073 -0.760 3.919 1.00 0.00 C ATOM 228 O VAL A 23 -1.260 -1.621 4.254 1.00 0.00 O ATOM 229 CB VAL A 23 -4.117 -0.642 5.347 1.00 0.00 C ATOM 230 CG1 VAL A 23 -5.570 -1.070 5.492 1.00 0.00 C ATOM 231 CG2 VAL A 23 -3.262 -1.245 6.451 1.00 0.00 C ATOM 0 H VAL A 23 -3.913 -3.043 4.486 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.072 -0.449 3.198 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.073 0.443 5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.939 -0.779 6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.170 -0.586 4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.643 -2.152 5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.662 -0.952 7.422 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.273 -2.332 6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.238 -0.884 6.357 1.00 0.00 H new ATOM 241 N ALA A 24 -1.716 0.451 3.505 1.00 0.00 N ATOM 242 CA ALA A 24 -0.316 0.847 3.420 1.00 0.00 C ATOM 243 C ALA A 24 -0.169 2.363 3.496 1.00 0.00 C ATOM 244 O ALA A 24 -0.708 3.092 2.662 1.00 0.00 O ATOM 245 CB ALA A 24 0.305 0.318 2.135 1.00 0.00 C ATOM 0 H ALA A 24 -2.377 1.175 3.223 1.00 0.00 H new ATOM 0 HA ALA A 24 0.211 0.414 4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.351 0.621 2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.242 -0.770 2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.232 0.724 1.278 1.00 0.00 H new ATOM 251 N LEU A 25 0.562 2.832 4.501 1.00 0.00 N ATOM 252 CA LEU A 25 0.780 4.262 4.686 1.00 0.00 C ATOM 253 C LEU A 25 -0.521 4.967 5.058 1.00 0.00 C ATOM 254 O LEU A 25 -0.810 6.058 4.565 1.00 0.00 O ATOM 255 CB LEU A 25 1.362 4.879 3.413 1.00 0.00 C ATOM 256 CG LEU A 25 2.580 4.170 2.820 1.00 0.00 C ATOM 257 CD1 LEU A 25 2.641 4.382 1.315 1.00 0.00 C ATOM 258 CD2 LEU A 25 3.859 4.663 3.482 1.00 0.00 C ATOM 0 H LEU A 25 1.014 2.243 5.200 1.00 0.00 H new ATOM 0 HA LEU A 25 1.490 4.394 5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.579 4.907 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.636 5.912 3.626 1.00 0.00 H new ATOM 0 HG LEU A 25 2.483 3.101 3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.514 3.870 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.739 3.980 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.714 5.448 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.716 4.148 3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.962 5.736 3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.817 4.459 4.552 1.00 0.00 H new ATOM 270 N ASP A 26 -1.300 4.338 5.931 1.00 0.00 N ATOM 271 CA ASP A 26 -2.569 4.907 6.371 1.00 0.00 C ATOM 272 C ASP A 26 -3.556 4.996 5.212 1.00 0.00 C ATOM 273 O ASP A 26 -4.324 5.953 5.110 1.00 0.00 O ATOM 274 CB ASP A 26 -2.347 6.293 6.977 1.00 0.00 C ATOM 275 CG ASP A 26 -2.162 6.245 8.481 1.00 0.00 C ATOM 276 OD1 ASP A 26 -2.999 5.616 9.163 1.00 0.00 O ATOM 277 OD2 ASP A 26 -1.179 6.835 8.977 1.00 0.00 O ATOM 0 H ASP A 26 -1.075 3.435 6.348 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.990 4.250 7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.469 6.749 6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.198 6.931 6.739 1.00 0.00 H new ATOM 282 N ARG A 27 -3.529 3.994 4.339 1.00 0.00 N ATOM 283 CA ARG A 27 -4.419 3.961 3.186 1.00 0.00 C ATOM 284 C ARG A 27 -4.949 2.550 2.948 1.00 0.00 C ATOM 285 O ARG A 27 -4.588 1.612 3.659 1.00 0.00 O ATOM 286 CB ARG A 27 -3.690 4.461 1.937 1.00 0.00 C ATOM 287 CG ARG A 27 -3.703 5.973 1.788 1.00 0.00 C ATOM 288 CD ARG A 27 -4.884 6.441 0.952 1.00 0.00 C ATOM 289 NE ARG A 27 -4.673 7.779 0.406 1.00 0.00 N ATOM 290 CZ ARG A 27 -5.660 8.620 0.118 1.00 0.00 C ATOM 291 NH1 ARG A 27 -6.920 8.263 0.324 1.00 0.00 N ATOM 292 NH2 ARG A 27 -5.387 9.821 -0.375 1.00 0.00 N ATOM 0 H ARG A 27 -2.900 3.194 4.409 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.264 4.618 3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.656 4.116 1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.149 4.014 1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.747 6.436 2.774 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.774 6.302 1.323 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.051 5.739 0.135 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.786 6.438 1.565 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.715 8.085 0.236 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.133 7.341 0.704 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.676 8.910 0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.419 10.099 -0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.146 10.466 -0.596 1.00 0.00 H new ATOM 306 N VAL A 28 -5.807 2.407 1.943 1.00 0.00 N ATOM 307 CA VAL A 28 -6.386 1.111 1.611 1.00 0.00 C ATOM 308 C VAL A 28 -6.114 0.744 0.156 1.00 0.00 C ATOM 309 O VAL A 28 -6.252 1.575 -0.741 1.00 0.00 O ATOM 310 CB VAL A 28 -7.906 1.095 1.857 1.00 0.00 C ATOM 311 CG1 VAL A 28 -8.504 -0.236 1.427 1.00 0.00 C ATOM 312 CG2 VAL A 28 -8.212 1.379 3.320 1.00 0.00 C ATOM 0 H VAL A 28 -6.116 3.173 1.345 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.912 0.377 2.263 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.362 1.881 1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.579 -0.228 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.317 -0.393 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.046 -1.043 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.291 1.364 3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.745 0.617 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.820 2.360 3.590 1.00 0.00 H new ATOM 322 N PHE A 29 -5.727 -0.507 -0.071 1.00 0.00 N ATOM 323 CA PHE A 29 -5.435 -0.985 -1.417 1.00 0.00 C ATOM 324 C PHE A 29 -5.845 -2.446 -1.576 1.00 0.00 C ATOM 325 O PHE A 29 -5.823 -3.217 -0.616 1.00 0.00 O ATOM 326 CB PHE A 29 -3.945 -0.825 -1.726 1.00 0.00 C ATOM 327 CG PHE A 29 -3.413 0.546 -1.419 1.00 0.00 C ATOM 328 CD1 PHE A 29 -3.691 1.615 -2.256 1.00 0.00 C ATOM 329 CD2 PHE A 29 -2.635 0.766 -0.294 1.00 0.00 C ATOM 330 CE1 PHE A 29 -3.204 2.878 -1.977 1.00 0.00 C ATOM 331 CE2 PHE A 29 -2.146 2.027 -0.009 1.00 0.00 C ATOM 332 CZ PHE A 29 -2.429 3.083 -0.852 1.00 0.00 C ATOM 0 H PHE A 29 -5.608 -1.208 0.660 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.011 -0.385 -2.122 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.382 -1.561 -1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.775 -1.044 -2.780 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.296 1.459 -3.137 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.408 -0.057 0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.429 3.703 -2.637 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.543 2.186 0.873 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.045 4.068 -0.632 1.00 0.00 H new ATOM 342 N HIS A 30 -6.219 -2.820 -2.796 1.00 0.00 N ATOM 343 CA HIS A 30 -6.634 -4.189 -3.082 1.00 0.00 C ATOM 344 C HIS A 30 -5.424 -5.114 -3.179 1.00 0.00 C ATOM 345 O HIS A 30 -4.346 -4.700 -3.604 1.00 0.00 O ATOM 346 CB HIS A 30 -7.435 -4.240 -4.383 1.00 0.00 C ATOM 347 CG HIS A 30 -8.884 -3.904 -4.207 1.00 0.00 C ATOM 348 ND1 HIS A 30 -9.462 -2.765 -4.728 1.00 0.00 N ATOM 349 CD2 HIS A 30 -9.875 -4.566 -3.564 1.00 0.00 C ATOM 350 CE1 HIS A 30 -10.744 -2.740 -4.413 1.00 0.00 C ATOM 351 NE2 HIS A 30 -11.020 -3.822 -3.707 1.00 0.00 N ATOM 0 H HIS A 30 -6.243 -2.195 -3.602 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.266 -4.530 -2.262 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -6.994 -3.547 -5.099 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.351 -5.238 -4.813 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.782 -5.504 -3.037 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -11.447 -1.967 -4.686 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -11.936 -4.065 -3.329 1.00 0.00 H new ATOM 359 N VAL A 31 -5.612 -6.369 -2.782 1.00 0.00 N ATOM 360 CA VAL A 31 -4.537 -7.353 -2.824 1.00 0.00 C ATOM 361 C VAL A 31 -3.747 -7.248 -4.125 1.00 0.00 C ATOM 362 O VAL A 31 -2.570 -7.601 -4.178 1.00 0.00 O ATOM 363 CB VAL A 31 -5.082 -8.786 -2.681 1.00 0.00 C ATOM 364 CG1 VAL A 31 -5.790 -8.958 -1.346 1.00 0.00 C ATOM 365 CG2 VAL A 31 -6.015 -9.119 -3.836 1.00 0.00 C ATOM 0 H VAL A 31 -6.499 -6.728 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.877 -7.138 -1.983 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.242 -9.480 -2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.168 -9.977 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.088 -8.764 -0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.621 -8.256 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.391 -10.135 -3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.852 -8.421 -3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.471 -9.040 -4.777 1.00 0.00 H new ATOM 375 N GLY A 32 -4.405 -6.761 -5.172 1.00 0.00 N ATOM 376 CA GLY A 32 -3.749 -6.618 -6.459 1.00 0.00 C ATOM 377 C GLY A 32 -3.218 -5.216 -6.687 1.00 0.00 C ATOM 378 O GLY A 32 -2.089 -5.039 -7.143 1.00 0.00 O ATOM 0 H GLY A 32 -5.380 -6.463 -5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.926 -7.330 -6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.453 -6.870 -7.252 1.00 0.00 H new ATOM 382 N CYS A 33 -4.035 -4.217 -6.370 1.00 0.00 N ATOM 383 CA CYS A 33 -3.644 -2.824 -6.545 1.00 0.00 C ATOM 384 C CYS A 33 -2.308 -2.545 -5.862 1.00 0.00 C ATOM 385 O CYS A 33 -1.373 -2.042 -6.485 1.00 0.00 O ATOM 386 CB CYS A 33 -4.721 -1.895 -5.981 1.00 0.00 C ATOM 387 SG CYS A 33 -6.259 -1.862 -6.957 1.00 0.00 S ATOM 0 H CYS A 33 -4.973 -4.347 -5.990 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.534 -2.635 -7.613 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.956 -2.205 -4.963 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.319 -0.884 -5.922 1.00 0.00 H new ATOM 392 N PHE A 34 -2.226 -2.875 -4.577 1.00 0.00 N ATOM 393 CA PHE A 34 -1.006 -2.659 -3.809 1.00 0.00 C ATOM 394 C PHE A 34 0.179 -3.365 -4.461 1.00 0.00 C ATOM 395 O PHE A 34 0.277 -4.592 -4.433 1.00 0.00 O ATOM 396 CB PHE A 34 -1.186 -3.160 -2.374 1.00 0.00 C ATOM 397 CG PHE A 34 -0.119 -2.679 -1.433 1.00 0.00 C ATOM 398 CD1 PHE A 34 0.227 -1.338 -1.383 1.00 0.00 C ATOM 399 CD2 PHE A 34 0.540 -3.569 -0.599 1.00 0.00 C ATOM 400 CE1 PHE A 34 1.209 -0.893 -0.518 1.00 0.00 C ATOM 401 CE2 PHE A 34 1.522 -3.129 0.268 1.00 0.00 C ATOM 402 CZ PHE A 34 1.858 -1.790 0.308 1.00 0.00 C ATOM 0 H PHE A 34 -2.990 -3.293 -4.046 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.803 -1.588 -3.790 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.159 -2.836 -2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.193 -4.250 -2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.276 -0.632 -2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.283 -4.618 -0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.469 0.155 -0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.027 -3.832 0.914 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.627 -1.445 0.984 1.00 0.00 H new ATOM 412 N VAL A 35 1.078 -2.581 -5.048 1.00 0.00 N ATOM 413 CA VAL A 35 2.257 -3.130 -5.707 1.00 0.00 C ATOM 414 C VAL A 35 3.421 -2.148 -5.657 1.00 0.00 C ATOM 415 O VAL A 35 3.235 -0.959 -5.395 1.00 0.00 O ATOM 416 CB VAL A 35 1.964 -3.487 -7.176 1.00 0.00 C ATOM 417 CG1 VAL A 35 0.760 -4.413 -7.271 1.00 0.00 C ATOM 418 CG2 VAL A 35 1.742 -2.226 -7.997 1.00 0.00 C ATOM 0 H VAL A 35 1.012 -1.564 -5.081 1.00 0.00 H new ATOM 0 HA VAL A 35 2.527 -4.038 -5.167 1.00 0.00 H new ATOM 0 HB VAL A 35 2.829 -4.011 -7.583 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.568 -4.654 -8.317 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.962 -5.330 -6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.114 -3.918 -6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.536 -2.497 -9.032 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.895 -1.672 -7.592 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.636 -1.603 -7.956 1.00 0.00 H new ATOM 428 N CYS A 36 4.625 -2.651 -5.911 1.00 0.00 N ATOM 429 CA CYS A 36 5.821 -1.819 -5.896 1.00 0.00 C ATOM 430 C CYS A 36 5.657 -0.612 -6.815 1.00 0.00 C ATOM 431 O CYS A 36 4.730 -0.556 -7.623 1.00 0.00 O ATOM 432 CB CYS A 36 7.042 -2.637 -6.323 1.00 0.00 C ATOM 433 SG CYS A 36 8.637 -1.822 -5.989 1.00 0.00 S ATOM 0 H CYS A 36 4.797 -3.632 -6.130 1.00 0.00 H new ATOM 0 HA CYS A 36 5.970 -1.460 -4.878 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.022 -3.597 -5.807 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.970 -2.847 -7.390 1.00 0.00 H new ATOM 438 N SER A 37 6.564 0.351 -6.686 1.00 0.00 N ATOM 439 CA SER A 37 6.517 1.558 -7.502 1.00 0.00 C ATOM 440 C SER A 37 7.433 1.429 -8.716 1.00 0.00 C ATOM 441 O SER A 37 7.207 2.060 -9.749 1.00 0.00 O ATOM 442 CB SER A 37 6.923 2.777 -6.671 1.00 0.00 C ATOM 443 OG SER A 37 5.844 3.234 -5.875 1.00 0.00 O ATOM 0 H SER A 37 7.340 0.319 -6.025 1.00 0.00 H new ATOM 0 HA SER A 37 5.493 1.690 -7.853 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.767 2.520 -6.031 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.256 3.577 -7.332 1.00 0.00 H new ATOM 0 HG SER A 37 5.832 4.214 -5.872 1.00 0.00 H new ATOM 449 N THR A 38 8.468 0.606 -8.584 1.00 0.00 N ATOM 450 CA THR A 38 9.419 0.393 -9.667 1.00 0.00 C ATOM 451 C THR A 38 9.090 -0.875 -10.447 1.00 0.00 C ATOM 452 O THR A 38 8.692 -0.816 -11.610 1.00 0.00 O ATOM 453 CB THR A 38 10.862 0.297 -9.138 1.00 0.00 C ATOM 454 OG1 THR A 38 11.232 1.523 -8.499 1.00 0.00 O ATOM 455 CG2 THR A 38 11.834 -0.005 -10.268 1.00 0.00 C ATOM 0 H THR A 38 8.669 0.075 -7.736 1.00 0.00 H new ATOM 0 HA THR A 38 9.340 1.255 -10.330 1.00 0.00 H new ATOM 0 HB THR A 38 10.907 -0.517 -8.415 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.778 1.590 -7.633 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.847 -0.068 -9.870 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.567 -0.954 -10.733 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.786 0.790 -11.012 1.00 0.00 H new ATOM 463 N CYS A 39 9.258 -2.023 -9.798 1.00 0.00 N ATOM 464 CA CYS A 39 8.979 -3.307 -10.430 1.00 0.00 C ATOM 465 C CYS A 39 7.478 -3.580 -10.466 1.00 0.00 C ATOM 466 O CYS A 39 7.015 -4.465 -11.186 1.00 0.00 O ATOM 467 CB CYS A 39 9.695 -4.433 -9.682 1.00 0.00 C ATOM 468 SG CYS A 39 8.864 -4.953 -8.147 1.00 0.00 S ATOM 0 H CYS A 39 9.586 -2.090 -8.835 1.00 0.00 H new ATOM 0 HA CYS A 39 9.349 -3.268 -11.455 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.784 -5.295 -10.344 1.00 0.00 H new ATOM 0 HB3 CYS A 39 10.708 -4.109 -9.442 1.00 0.00 H new ATOM 473 N ARG A 40 6.723 -2.814 -9.684 1.00 0.00 N ATOM 474 CA ARG A 40 5.275 -2.974 -9.626 1.00 0.00 C ATOM 475 C ARG A 40 4.900 -4.422 -9.325 1.00 0.00 C ATOM 476 O ARG A 40 4.026 -4.995 -9.974 1.00 0.00 O ATOM 477 CB ARG A 40 4.639 -2.535 -10.946 1.00 0.00 C ATOM 478 CG ARG A 40 4.431 -1.033 -11.052 1.00 0.00 C ATOM 479 CD ARG A 40 5.756 -0.290 -11.111 1.00 0.00 C ATOM 480 NE ARG A 40 5.655 0.948 -11.880 1.00 0.00 N ATOM 481 CZ ARG A 40 4.933 1.995 -11.497 1.00 0.00 C ATOM 482 NH1 ARG A 40 4.252 1.954 -10.360 1.00 0.00 N ATOM 483 NH2 ARG A 40 4.892 3.086 -12.251 1.00 0.00 N ATOM 0 H ARG A 40 7.090 -2.077 -9.082 1.00 0.00 H new ATOM 0 HA ARG A 40 4.897 -2.344 -8.821 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.270 -2.865 -11.771 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.677 -3.035 -11.060 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.846 -0.808 -11.944 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.854 -0.683 -10.196 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.089 -0.062 -10.099 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.513 -0.934 -11.558 1.00 0.00 H new ATOM 0 HE ARG A 40 6.167 1.012 -12.760 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.282 1.117 -9.777 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.698 2.759 -10.068 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.415 3.121 -13.126 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.337 3.889 -11.956 1.00 0.00 H new ATOM 497 N ALA A 41 5.567 -5.007 -8.336 1.00 0.00 N ATOM 498 CA ALA A 41 5.303 -6.387 -7.947 1.00 0.00 C ATOM 499 C ALA A 41 4.192 -6.461 -6.905 1.00 0.00 C ATOM 500 O ALA A 41 3.937 -5.493 -6.189 1.00 0.00 O ATOM 501 CB ALA A 41 6.571 -7.038 -7.417 1.00 0.00 C ATOM 0 H ALA A 41 6.295 -4.547 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 41 4.972 -6.931 -8.832 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.359 -8.068 -7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.337 -7.028 -8.193 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.928 -6.486 -6.548 1.00 0.00 H new ATOM 507 N GLN A 42 3.536 -7.614 -6.827 1.00 0.00 N ATOM 508 CA GLN A 42 2.452 -7.812 -5.872 1.00 0.00 C ATOM 509 C GLN A 42 2.973 -7.769 -4.440 1.00 0.00 C ATOM 510 O GLN A 42 3.822 -8.573 -4.053 1.00 0.00 O ATOM 511 CB GLN A 42 1.752 -9.147 -6.133 1.00 0.00 C ATOM 512 CG GLN A 42 0.600 -9.047 -7.120 1.00 0.00 C ATOM 513 CD GLN A 42 -0.480 -10.080 -6.864 1.00 0.00 C ATOM 514 OE1 GLN A 42 -0.194 -11.202 -6.445 1.00 0.00 O ATOM 515 NE2 GLN A 42 -1.729 -9.706 -7.114 1.00 0.00 N ATOM 0 H GLN A 42 3.736 -8.425 -7.413 1.00 0.00 H new ATOM 0 HA GLN A 42 1.735 -7.002 -6.002 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.482 -9.863 -6.511 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.377 -9.542 -5.189 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.164 -8.050 -7.064 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.983 -9.171 -8.133 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.920 -8.766 -7.460 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.497 -10.359 -6.960 1.00 0.00 H new ATOM 524 N LEU A 43 2.460 -6.826 -3.657 1.00 0.00 N ATOM 525 CA LEU A 43 2.874 -6.678 -2.266 1.00 0.00 C ATOM 526 C LEU A 43 1.720 -6.990 -1.318 1.00 0.00 C ATOM 527 O LEU A 43 1.756 -6.631 -0.141 1.00 0.00 O ATOM 528 CB LEU A 43 3.386 -5.259 -2.014 1.00 0.00 C ATOM 529 CG LEU A 43 4.446 -4.746 -2.989 1.00 0.00 C ATOM 530 CD1 LEU A 43 4.719 -3.268 -2.752 1.00 0.00 C ATOM 531 CD2 LEU A 43 5.729 -5.554 -2.858 1.00 0.00 C ATOM 0 H LEU A 43 1.757 -6.153 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 43 3.679 -7.388 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.536 -4.577 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.797 -5.216 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 43 4.066 -4.867 -4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.476 -2.921 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.800 -2.700 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.077 -3.123 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.471 -5.174 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.112 -5.466 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.524 -6.601 -3.079 1.00 0.00 H new ATOM 543 N ARG A 44 0.698 -7.661 -1.839 1.00 0.00 N ATOM 544 CA ARG A 44 -0.466 -8.022 -1.039 1.00 0.00 C ATOM 545 C ARG A 44 -0.053 -8.418 0.375 1.00 0.00 C ATOM 546 O ARG A 44 -0.721 -8.072 1.348 1.00 0.00 O ATOM 547 CB ARG A 44 -1.229 -9.172 -1.700 1.00 0.00 C ATOM 548 CG ARG A 44 -0.387 -10.420 -1.910 1.00 0.00 C ATOM 549 CD ARG A 44 -1.256 -11.645 -2.146 1.00 0.00 C ATOM 550 NE ARG A 44 -1.653 -11.772 -3.546 1.00 0.00 N ATOM 551 CZ ARG A 44 -2.738 -12.427 -3.945 1.00 0.00 C ATOM 552 NH1 ARG A 44 -3.529 -13.010 -3.056 1.00 0.00 N ATOM 553 NH2 ARG A 44 -3.033 -12.499 -5.237 1.00 0.00 N ATOM 0 H ARG A 44 0.653 -7.966 -2.811 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.117 -7.150 -0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.092 -9.426 -1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.612 -8.836 -2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.276 -10.273 -2.762 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.246 -10.584 -1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.713 -12.539 -1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.147 -11.584 -1.521 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.066 -11.334 -4.256 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.306 -12.957 -2.062 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.361 -13.512 -3.366 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.427 -12.051 -5.924 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.866 -13.002 -5.543 1.00 0.00 H new ATOM 567 N GLY A 45 1.055 -9.146 0.480 1.00 0.00 N ATOM 568 CA GLY A 45 1.538 -9.578 1.779 1.00 0.00 C ATOM 569 C GLY A 45 3.014 -9.923 1.763 1.00 0.00 C ATOM 570 O GLY A 45 3.388 -11.062 1.486 1.00 0.00 O ATOM 0 H GLY A 45 1.626 -9.444 -0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.360 -8.789 2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.968 -10.448 2.104 1.00 0.00 H new ATOM 574 N GLN A 46 3.854 -8.936 2.059 1.00 0.00 N ATOM 575 CA GLN A 46 5.297 -9.141 2.075 1.00 0.00 C ATOM 576 C GLN A 46 6.008 -7.957 2.723 1.00 0.00 C ATOM 577 O GLN A 46 5.373 -6.978 3.116 1.00 0.00 O ATOM 578 CB GLN A 46 5.820 -9.348 0.652 1.00 0.00 C ATOM 579 CG GLN A 46 5.821 -8.080 -0.186 1.00 0.00 C ATOM 580 CD GLN A 46 6.719 -8.186 -1.404 1.00 0.00 C ATOM 581 OE1 GLN A 46 7.886 -7.798 -1.364 1.00 0.00 O ATOM 582 NE2 GLN A 46 6.177 -8.715 -2.495 1.00 0.00 N ATOM 0 H GLN A 46 3.560 -7.987 2.291 1.00 0.00 H new ATOM 0 HA GLN A 46 5.505 -10.034 2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.835 -9.742 0.701 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.209 -10.101 0.155 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.803 -7.861 -0.508 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.148 -7.242 0.430 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.205 -9.024 -2.483 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.733 -8.813 -3.345 1.00 0.00 H new ATOM 591 N HIS A 47 7.330 -8.054 2.831 1.00 0.00 N ATOM 592 CA HIS A 47 8.127 -6.991 3.432 1.00 0.00 C ATOM 593 C HIS A 47 8.491 -5.933 2.395 1.00 0.00 C ATOM 594 O HIS A 47 9.283 -6.186 1.486 1.00 0.00 O ATOM 595 CB HIS A 47 9.398 -7.568 4.056 1.00 0.00 C ATOM 596 CG HIS A 47 9.142 -8.716 4.984 1.00 0.00 C ATOM 597 ND1 HIS A 47 9.405 -10.027 4.649 1.00 0.00 N ATOM 598 CD2 HIS A 47 8.645 -8.742 6.243 1.00 0.00 C ATOM 599 CE1 HIS A 47 9.079 -10.811 5.662 1.00 0.00 C ATOM 600 NE2 HIS A 47 8.615 -10.056 6.641 1.00 0.00 N ATOM 0 H HIS A 47 7.871 -8.857 2.510 1.00 0.00 H new ATOM 0 HA HIS A 47 7.530 -6.520 4.213 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.067 -7.897 3.260 1.00 0.00 H new ATOM 0 HB3 HIS A 47 9.916 -6.779 4.602 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.331 -7.889 6.826 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.176 -11.886 5.685 1.00 0.00 H new ATOM 0 HE2 HIS A 47 8.287 -10.394 7.546 1.00 0.00 H new ATOM 609 N PHE A 48 7.907 -4.747 2.536 1.00 0.00 N ATOM 610 CA PHE A 48 8.168 -3.651 1.611 1.00 0.00 C ATOM 611 C PHE A 48 8.627 -2.404 2.360 1.00 0.00 C ATOM 612 O PHE A 48 8.582 -2.354 3.590 1.00 0.00 O ATOM 613 CB PHE A 48 6.914 -3.336 0.793 1.00 0.00 C ATOM 614 CG PHE A 48 5.677 -3.179 1.629 1.00 0.00 C ATOM 615 CD1 PHE A 48 4.948 -4.288 2.027 1.00 0.00 C ATOM 616 CD2 PHE A 48 5.242 -1.922 2.018 1.00 0.00 C ATOM 617 CE1 PHE A 48 3.809 -4.147 2.798 1.00 0.00 C ATOM 618 CE2 PHE A 48 4.105 -1.774 2.788 1.00 0.00 C ATOM 619 CZ PHE A 48 3.386 -2.888 3.178 1.00 0.00 C ATOM 0 H PHE A 48 7.250 -4.521 3.283 1.00 0.00 H new ATOM 0 HA PHE A 48 8.965 -3.961 0.936 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.080 -2.419 0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.754 -4.133 0.067 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.273 -5.274 1.731 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.799 -1.048 1.715 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.251 -5.020 3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.778 -0.788 3.085 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.496 -2.775 3.778 1.00 0.00 H new ATOM 629 N TYR A 49 9.068 -1.400 1.611 1.00 0.00 N ATOM 630 CA TYR A 49 9.538 -0.153 2.204 1.00 0.00 C ATOM 631 C TYR A 49 8.605 1.002 1.854 1.00 0.00 C ATOM 632 O TYR A 49 7.675 0.846 1.063 1.00 0.00 O ATOM 633 CB TYR A 49 10.957 0.160 1.726 1.00 0.00 C ATOM 634 CG TYR A 49 12.026 -0.641 2.435 1.00 0.00 C ATOM 635 CD1 TYR A 49 12.259 -1.971 2.105 1.00 0.00 C ATOM 636 CD2 TYR A 49 12.802 -0.069 3.435 1.00 0.00 C ATOM 637 CE1 TYR A 49 13.233 -2.707 2.750 1.00 0.00 C ATOM 638 CE2 TYR A 49 13.780 -0.797 4.085 1.00 0.00 C ATOM 639 CZ TYR A 49 13.991 -2.116 3.739 1.00 0.00 C ATOM 640 OH TYR A 49 14.963 -2.845 4.385 1.00 0.00 O ATOM 0 H TYR A 49 9.110 -1.425 0.592 1.00 0.00 H new ATOM 0 HA TYR A 49 9.545 -0.275 3.287 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.021 -0.032 0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 49 11.154 1.222 1.871 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.668 -2.437 1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.638 0.963 3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 49 13.400 -3.740 2.482 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.376 -0.336 4.859 1.00 0.00 H new ATOM 0 HH TYR A 49 15.406 -2.281 5.053 1.00 0.00 H new ATOM 650 N ALA A 50 8.862 2.162 2.449 1.00 0.00 N ATOM 651 CA ALA A 50 8.048 3.345 2.200 1.00 0.00 C ATOM 652 C ALA A 50 8.914 4.597 2.105 1.00 0.00 C ATOM 653 O ALA A 50 9.493 5.040 3.097 1.00 0.00 O ATOM 654 CB ALA A 50 7.002 3.506 3.293 1.00 0.00 C ATOM 0 H ALA A 50 9.628 2.308 3.107 1.00 0.00 H new ATOM 0 HA ALA A 50 7.541 3.212 1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.401 4.394 3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.357 2.628 3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.498 3.612 4.258 1.00 0.00 H new ATOM 660 N VAL A 51 8.998 5.163 0.905 1.00 0.00 N ATOM 661 CA VAL A 51 9.793 6.365 0.681 1.00 0.00 C ATOM 662 C VAL A 51 9.045 7.364 -0.194 1.00 0.00 C ATOM 663 O VAL A 51 8.636 7.042 -1.309 1.00 0.00 O ATOM 664 CB VAL A 51 11.143 6.029 0.019 1.00 0.00 C ATOM 665 CG1 VAL A 51 11.936 7.299 -0.250 1.00 0.00 C ATOM 666 CG2 VAL A 51 11.939 5.069 0.890 1.00 0.00 C ATOM 0 H VAL A 51 8.526 4.809 0.073 1.00 0.00 H new ATOM 0 HA VAL A 51 9.977 6.810 1.659 1.00 0.00 H new ATOM 0 HB VAL A 51 10.948 5.541 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.886 7.042 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.368 7.949 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.123 7.817 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.890 4.843 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.125 5.528 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.373 4.148 1.027 1.00 0.00 H new ATOM 676 N GLU A 52 8.869 8.577 0.319 1.00 0.00 N ATOM 677 CA GLU A 52 8.169 9.623 -0.416 1.00 0.00 C ATOM 678 C GLU A 52 6.735 9.204 -0.725 1.00 0.00 C ATOM 679 O GLU A 52 6.204 9.509 -1.793 1.00 0.00 O ATOM 680 CB GLU A 52 8.909 9.946 -1.716 1.00 0.00 C ATOM 681 CG GLU A 52 10.251 10.625 -1.501 1.00 0.00 C ATOM 682 CD GLU A 52 10.880 11.099 -2.797 1.00 0.00 C ATOM 683 OE1 GLU A 52 10.334 12.039 -3.412 1.00 0.00 O ATOM 684 OE2 GLU A 52 11.918 10.530 -3.195 1.00 0.00 O ATOM 0 H GLU A 52 9.202 8.860 1.241 1.00 0.00 H new ATOM 0 HA GLU A 52 8.142 10.515 0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.064 9.023 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.280 10.590 -2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.120 11.476 -0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.930 9.931 -1.005 1.00 0.00 H new ATOM 691 N ARG A 53 6.113 8.504 0.218 1.00 0.00 N ATOM 692 CA ARG A 53 4.741 8.041 0.047 1.00 0.00 C ATOM 693 C ARG A 53 4.648 7.023 -1.087 1.00 0.00 C ATOM 694 O ARG A 53 3.636 6.947 -1.784 1.00 0.00 O ATOM 695 CB ARG A 53 3.813 9.224 -0.238 1.00 0.00 C ATOM 696 CG ARG A 53 3.849 10.298 0.837 1.00 0.00 C ATOM 697 CD ARG A 53 2.997 11.497 0.454 1.00 0.00 C ATOM 698 NE ARG A 53 1.595 11.134 0.260 1.00 0.00 N ATOM 699 CZ ARG A 53 0.710 11.067 1.248 1.00 0.00 C ATOM 700 NH1 ARG A 53 1.079 11.337 2.493 1.00 0.00 N ATOM 701 NH2 ARG A 53 -0.547 10.729 0.992 1.00 0.00 N ATOM 0 H ARG A 53 6.537 8.245 1.109 1.00 0.00 H new ATOM 0 HA ARG A 53 4.429 7.558 0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.089 9.669 -1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.792 8.858 -0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.492 9.883 1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.878 10.618 0.999 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.070 12.257 1.232 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.387 11.940 -0.462 1.00 0.00 H new ATOM 0 HE ARG A 53 1.279 10.920 -0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.045 11.597 2.694 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.397 11.285 3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.834 10.520 0.036 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.226 10.678 1.751 1.00 0.00 H new ATOM 715 N ARG A 54 5.710 6.245 -1.265 1.00 0.00 N ATOM 716 CA ARG A 54 5.749 5.234 -2.315 1.00 0.00 C ATOM 717 C ARG A 54 5.924 3.840 -1.720 1.00 0.00 C ATOM 718 O ARG A 54 6.017 3.680 -0.503 1.00 0.00 O ATOM 719 CB ARG A 54 6.886 5.529 -3.295 1.00 0.00 C ATOM 720 CG ARG A 54 6.690 6.811 -4.087 1.00 0.00 C ATOM 721 CD ARG A 54 7.382 6.742 -5.439 1.00 0.00 C ATOM 722 NE ARG A 54 6.702 7.554 -6.445 1.00 0.00 N ATOM 723 CZ ARG A 54 7.176 7.757 -7.669 1.00 0.00 C ATOM 724 NH1 ARG A 54 8.327 7.210 -8.037 1.00 0.00 N ATOM 725 NH2 ARG A 54 6.499 8.508 -8.528 1.00 0.00 N ATOM 0 H ARG A 54 6.555 6.295 -0.696 1.00 0.00 H new ATOM 0 HA ARG A 54 4.800 5.265 -2.851 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.823 5.593 -2.742 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.982 4.694 -3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.625 6.992 -4.231 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.082 7.654 -3.519 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.413 7.081 -5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.419 5.706 -5.775 1.00 0.00 H new ATOM 0 HE ARG A 54 5.814 7.989 -6.194 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.850 6.632 -7.379 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.689 7.367 -8.978 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.613 8.930 -8.249 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.864 8.663 -9.468 1.00 0.00 H new ATOM 739 N ALA A 55 5.968 2.833 -2.587 1.00 0.00 N ATOM 740 CA ALA A 55 6.134 1.453 -2.148 1.00 0.00 C ATOM 741 C ALA A 55 7.268 0.769 -2.904 1.00 0.00 C ATOM 742 O ALA A 55 7.233 0.659 -4.130 1.00 0.00 O ATOM 743 CB ALA A 55 4.835 0.682 -2.330 1.00 0.00 C ATOM 0 H ALA A 55 5.891 2.948 -3.598 1.00 0.00 H new ATOM 0 HA ALA A 55 6.393 1.463 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.973 -0.347 -1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.048 1.151 -1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.552 0.689 -3.383 1.00 0.00 H new ATOM 749 N TYR A 56 8.274 0.312 -2.166 1.00 0.00 N ATOM 750 CA TYR A 56 9.420 -0.358 -2.767 1.00 0.00 C ATOM 751 C TYR A 56 9.696 -1.690 -2.076 1.00 0.00 C ATOM 752 O TYR A 56 9.982 -1.736 -0.879 1.00 0.00 O ATOM 753 CB TYR A 56 10.659 0.536 -2.689 1.00 0.00 C ATOM 754 CG TYR A 56 10.560 1.783 -3.537 1.00 0.00 C ATOM 755 CD1 TYR A 56 10.919 1.764 -4.879 1.00 0.00 C ATOM 756 CD2 TYR A 56 10.107 2.980 -2.997 1.00 0.00 C ATOM 757 CE1 TYR A 56 10.831 2.902 -5.658 1.00 0.00 C ATOM 758 CE2 TYR A 56 10.015 4.123 -3.768 1.00 0.00 C ATOM 759 CZ TYR A 56 10.378 4.079 -5.098 1.00 0.00 C ATOM 760 OH TYR A 56 10.288 5.214 -5.871 1.00 0.00 O ATOM 0 H TYR A 56 8.318 0.394 -1.150 1.00 0.00 H new ATOM 0 HA TYR A 56 9.187 -0.553 -3.814 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.823 0.825 -1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.531 -0.038 -3.002 1.00 0.00 H new ATOM 0 HD1 TYR A 56 11.273 0.844 -5.321 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.822 3.018 -1.956 1.00 0.00 H new ATOM 0 HE1 TYR A 56 11.115 2.870 -6.699 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.661 5.045 -3.332 1.00 0.00 H new ATOM 0 HH TYR A 56 10.107 4.963 -6.801 1.00 0.00 H new ATOM 770 N CYS A 57 9.608 -2.774 -2.840 1.00 0.00 N ATOM 771 CA CYS A 57 9.848 -4.109 -2.304 1.00 0.00 C ATOM 772 C CYS A 57 11.297 -4.261 -1.852 1.00 0.00 C ATOM 773 O CYS A 57 12.204 -3.666 -2.432 1.00 0.00 O ATOM 774 CB CYS A 57 9.516 -5.170 -3.355 1.00 0.00 C ATOM 775 SG CYS A 57 10.570 -5.102 -4.839 1.00 0.00 S ATOM 0 H CYS A 57 9.372 -2.754 -3.832 1.00 0.00 H new ATOM 0 HA CYS A 57 9.200 -4.248 -1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 57 9.609 -6.157 -2.901 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.475 -5.054 -3.656 1.00 0.00 H new ATOM 780 N GLU A 58 11.506 -5.064 -0.812 1.00 0.00 N ATOM 781 CA GLU A 58 12.845 -5.293 -0.282 1.00 0.00 C ATOM 782 C GLU A 58 13.886 -5.251 -1.397 1.00 0.00 C ATOM 783 O GLU A 58 14.875 -4.525 -1.310 1.00 0.00 O ATOM 784 CB GLU A 58 12.907 -6.642 0.439 1.00 0.00 C ATOM 785 CG GLU A 58 14.313 -7.047 0.850 1.00 0.00 C ATOM 786 CD GLU A 58 14.492 -8.552 0.910 1.00 0.00 C ATOM 787 OE1 GLU A 58 14.840 -9.150 -0.130 1.00 0.00 O ATOM 788 OE2 GLU A 58 14.284 -9.131 1.996 1.00 0.00 O ATOM 0 H GLU A 58 10.766 -5.566 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 58 13.068 -4.498 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.276 -6.600 1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.491 -7.412 -0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.029 -6.627 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.540 -6.619 1.826 1.00 0.00 H new ATOM 795 N GLY A 59 13.655 -6.038 -2.444 1.00 0.00 N ATOM 796 CA GLY A 59 14.581 -6.076 -3.561 1.00 0.00 C ATOM 797 C GLY A 59 14.871 -4.698 -4.122 1.00 0.00 C ATOM 798 O GLY A 59 15.978 -4.180 -3.976 1.00 0.00 O ATOM 0 H GLY A 59 12.844 -6.649 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.515 -6.538 -3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.169 -6.706 -4.349 1.00 0.00 H new ATOM 802 N CYS A 60 13.874 -4.103 -4.769 1.00 0.00 N ATOM 803 CA CYS A 60 14.026 -2.778 -5.357 1.00 0.00 C ATOM 804 C CYS A 60 14.697 -1.821 -4.375 1.00 0.00 C ATOM 805 O CYS A 60 15.711 -1.199 -4.693 1.00 0.00 O ATOM 806 CB CYS A 60 12.663 -2.223 -5.775 1.00 0.00 C ATOM 807 SG CYS A 60 12.099 -2.794 -7.411 1.00 0.00 S ATOM 0 H CYS A 60 12.952 -4.518 -4.899 1.00 0.00 H new ATOM 0 HA CYS A 60 14.660 -2.870 -6.239 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.922 -2.507 -5.028 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.711 -1.134 -5.779 1.00 0.00 H new ATOM 812 N TYR A 61 14.125 -1.710 -3.182 1.00 0.00 N ATOM 813 CA TYR A 61 14.665 -0.828 -2.154 1.00 0.00 C ATOM 814 C TYR A 61 16.183 -0.954 -2.072 1.00 0.00 C ATOM 815 O TYR A 61 16.895 0.043 -1.947 1.00 0.00 O ATOM 816 CB TYR A 61 14.041 -1.150 -0.795 1.00 0.00 C ATOM 817 CG TYR A 61 14.598 -0.320 0.339 1.00 0.00 C ATOM 818 CD1 TYR A 61 14.075 0.934 0.630 1.00 0.00 C ATOM 819 CD2 TYR A 61 15.647 -0.790 1.120 1.00 0.00 C ATOM 820 CE1 TYR A 61 14.581 1.696 1.665 1.00 0.00 C ATOM 821 CE2 TYR A 61 16.157 -0.035 2.158 1.00 0.00 C ATOM 822 CZ TYR A 61 15.621 1.207 2.426 1.00 0.00 C ATOM 823 OH TYR A 61 16.129 1.963 3.459 1.00 0.00 O ATOM 0 H TYR A 61 13.287 -2.220 -2.902 1.00 0.00 H new ATOM 0 HA TYR A 61 14.417 0.198 -2.425 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.964 -0.994 -0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.199 -2.205 -0.573 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.259 1.319 0.037 1.00 0.00 H new ATOM 0 HD2 TYR A 61 16.070 -1.762 0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.164 2.670 1.877 1.00 0.00 H new ATOM 0 HE2 TYR A 61 16.971 -0.415 2.757 1.00 0.00 H new ATOM 0 HH TYR A 61 16.857 1.473 3.895 1.00 0.00 H new ATOM 833 N VAL A 62 16.673 -2.188 -2.143 1.00 0.00 N ATOM 834 CA VAL A 62 18.106 -2.446 -2.078 1.00 0.00 C ATOM 835 C VAL A 62 18.815 -1.927 -3.324 1.00 0.00 C ATOM 836 O VAL A 62 19.934 -1.421 -3.248 1.00 0.00 O ATOM 837 CB VAL A 62 18.399 -3.951 -1.924 1.00 0.00 C ATOM 838 CG1 VAL A 62 19.898 -4.202 -1.886 1.00 0.00 C ATOM 839 CG2 VAL A 62 17.727 -4.498 -0.674 1.00 0.00 C ATOM 0 H VAL A 62 16.098 -3.024 -2.246 1.00 0.00 H new ATOM 0 HA VAL A 62 18.483 -1.918 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 62 17.989 -4.474 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 62 20.085 -5.270 -1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 62 20.350 -3.847 -2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 62 20.335 -3.669 -1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 62 17.944 -5.562 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 62 18.105 -3.972 0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 62 16.649 -4.353 -0.747 1.00 0.00 H new ATOM 849 N ALA A 63 18.155 -2.055 -4.470 1.00 0.00 N ATOM 850 CA ALA A 63 18.721 -1.597 -5.733 1.00 0.00 C ATOM 851 C ALA A 63 18.796 -0.075 -5.780 1.00 0.00 C ATOM 852 O ALA A 63 19.694 0.495 -6.402 1.00 0.00 O ATOM 853 CB ALA A 63 17.900 -2.123 -6.901 1.00 0.00 C ATOM 0 H ALA A 63 17.228 -2.472 -4.550 1.00 0.00 H new ATOM 0 HA ALA A 63 19.736 -1.988 -5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.334 -1.773 -7.838 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.901 -3.213 -6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 63 16.875 -1.760 -6.818 1.00 0.00 H new ATOM 859 N THR A 64 17.846 0.581 -5.120 1.00 0.00 N ATOM 860 CA THR A 64 17.804 2.038 -5.088 1.00 0.00 C ATOM 861 C THR A 64 18.965 2.604 -4.279 1.00 0.00 C ATOM 862 O THR A 64 19.510 3.658 -4.610 1.00 0.00 O ATOM 863 CB THR A 64 16.480 2.548 -4.490 1.00 0.00 C ATOM 864 OG1 THR A 64 16.360 2.120 -3.129 1.00 0.00 O ATOM 865 CG2 THR A 64 15.292 2.040 -5.293 1.00 0.00 C ATOM 0 H THR A 64 17.095 0.126 -4.600 1.00 0.00 H new ATOM 0 HA THR A 64 17.884 2.379 -6.120 1.00 0.00 H new ATOM 0 HB THR A 64 16.485 3.637 -4.529 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.687 1.200 -3.045 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.368 2.413 -4.851 1.00 0.00 H new ATOM 0 HG22 THR A 64 15.371 2.392 -6.322 1.00 0.00 H new ATOM 0 HG23 THR A 64 15.285 0.950 -5.282 1.00 0.00 H new ATOM 873 N LEU A 65 19.341 1.898 -3.218 1.00 0.00 N ATOM 874 CA LEU A 65 20.439 2.331 -2.361 1.00 0.00 C ATOM 875 C LEU A 65 21.747 2.395 -3.143 1.00 0.00 C ATOM 876 O LEU A 65 22.465 3.392 -3.089 1.00 0.00 O ATOM 877 CB LEU A 65 20.589 1.380 -1.172 1.00 0.00 C ATOM 878 CG LEU A 65 19.382 1.276 -0.240 1.00 0.00 C ATOM 879 CD1 LEU A 65 19.564 0.130 0.744 1.00 0.00 C ATOM 880 CD2 LEU A 65 19.164 2.587 0.500 1.00 0.00 C ATOM 0 H LEU A 65 18.902 1.023 -2.931 1.00 0.00 H new ATOM 0 HA LEU A 65 20.208 3.330 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 65 20.814 0.385 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 65 21.450 1.698 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 65 18.498 1.072 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 65 18.695 0.072 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.669 -0.807 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 65 20.459 0.303 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 65 18.301 2.494 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 65 20.048 2.822 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 65 18.987 3.386 -0.220 1.00 0.00 H new ATOM 892 N GLU A 66 22.048 1.324 -3.872 1.00 0.00 N ATOM 893 CA GLU A 66 23.269 1.260 -4.667 1.00 0.00 C ATOM 894 C GLU A 66 23.189 2.203 -5.864 1.00 0.00 C ATOM 895 O GLU A 66 24.165 2.868 -6.211 1.00 0.00 O ATOM 896 CB GLU A 66 23.518 -0.171 -5.146 1.00 0.00 C ATOM 897 CG GLU A 66 22.490 -0.663 -6.151 1.00 0.00 C ATOM 898 CD GLU A 66 22.694 -2.118 -6.529 1.00 0.00 C ATOM 899 OE1 GLU A 66 23.850 -2.507 -6.792 1.00 0.00 O ATOM 900 OE2 GLU A 66 21.695 -2.867 -6.561 1.00 0.00 O ATOM 0 H GLU A 66 21.464 0.490 -3.928 1.00 0.00 H new ATOM 0 HA GLU A 66 24.100 1.573 -4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 66 24.509 -0.228 -5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 66 23.520 -0.839 -4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 66 21.491 -0.536 -5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 66 22.542 -0.047 -7.049 1.00 0.00 H new ATOM 907 N SER A 67 22.019 2.254 -6.492 1.00 0.00 N ATOM 908 CA SER A 67 21.811 3.111 -7.653 1.00 0.00 C ATOM 909 C SER A 67 21.819 4.583 -7.251 1.00 0.00 C ATOM 910 O SER A 67 21.034 5.011 -6.406 1.00 0.00 O ATOM 911 CB SER A 67 20.488 2.765 -8.339 1.00 0.00 C ATOM 912 OG SER A 67 20.372 3.427 -9.586 1.00 0.00 O ATOM 0 H SER A 67 21.200 1.712 -6.216 1.00 0.00 H new ATOM 0 HA SER A 67 22.630 2.939 -8.351 1.00 0.00 H new ATOM 0 HB2 SER A 67 20.423 1.687 -8.488 1.00 0.00 H new ATOM 0 HB3 SER A 67 19.656 3.048 -7.695 1.00 0.00 H new ATOM 0 HG SER A 67 19.519 3.188 -10.005 1.00 0.00 H new ATOM 918 N GLY A 68 22.714 5.352 -7.863 1.00 0.00 N ATOM 919 CA GLY A 68 22.809 6.768 -7.556 1.00 0.00 C ATOM 920 C GLY A 68 23.356 7.577 -8.715 1.00 0.00 C ATOM 921 O GLY A 68 23.861 7.032 -9.697 1.00 0.00 O ATOM 0 H GLY A 68 23.375 5.020 -8.566 1.00 0.00 H new ATOM 0 HA2 GLY A 68 21.822 7.145 -7.287 1.00 0.00 H new ATOM 0 HA3 GLY A 68 23.451 6.906 -6.686 1.00 0.00 H new ATOM 925 N PRO A 69 23.256 8.910 -8.610 1.00 0.00 N ATOM 926 CA PRO A 69 23.739 9.825 -9.650 1.00 0.00 C ATOM 927 C PRO A 69 25.260 9.847 -9.741 1.00 0.00 C ATOM 928 O PRO A 69 25.833 10.584 -10.544 1.00 0.00 O ATOM 929 CB PRO A 69 23.210 11.188 -9.196 1.00 0.00 C ATOM 930 CG PRO A 69 23.049 11.060 -7.721 1.00 0.00 C ATOM 931 CD PRO A 69 22.665 9.628 -7.468 1.00 0.00 C ATOM 0 HA PRO A 69 23.400 9.530 -10.643 1.00 0.00 H new ATOM 0 HB2 PRO A 69 23.906 11.987 -9.450 1.00 0.00 H new ATOM 0 HB3 PRO A 69 22.262 11.425 -9.679 1.00 0.00 H new ATOM 0 HG2 PRO A 69 23.975 11.313 -7.204 1.00 0.00 H new ATOM 0 HG3 PRO A 69 22.282 11.741 -7.352 1.00 0.00 H new ATOM 0 HD2 PRO A 69 23.061 9.268 -6.518 1.00 0.00 H new ATOM 0 HD3 PRO A 69 21.583 9.503 -7.431 1.00 0.00 H new ATOM 939 N SER A 70 25.911 9.035 -8.913 1.00 0.00 N ATOM 940 CA SER A 70 27.367 8.965 -8.898 1.00 0.00 C ATOM 941 C SER A 70 27.975 10.347 -8.681 1.00 0.00 C ATOM 942 O SER A 70 28.956 10.714 -9.328 1.00 0.00 O ATOM 943 CB SER A 70 27.883 8.368 -10.209 1.00 0.00 C ATOM 944 OG SER A 70 27.754 6.957 -10.213 1.00 0.00 O ATOM 0 H SER A 70 25.452 8.417 -8.244 1.00 0.00 H new ATOM 0 HA SER A 70 27.667 8.322 -8.071 1.00 0.00 H new ATOM 0 HB2 SER A 70 27.328 8.789 -11.047 1.00 0.00 H new ATOM 0 HB3 SER A 70 28.929 8.641 -10.350 1.00 0.00 H new ATOM 0 HG SER A 70 28.089 6.600 -11.062 1.00 0.00 H new ATOM 950 N SER A 71 27.386 11.109 -7.766 1.00 0.00 N ATOM 951 CA SER A 71 27.866 12.453 -7.465 1.00 0.00 C ATOM 952 C SER A 71 28.375 12.538 -6.029 1.00 0.00 C ATOM 953 O SER A 71 28.010 11.728 -5.179 1.00 0.00 O ATOM 954 CB SER A 71 26.751 13.477 -7.684 1.00 0.00 C ATOM 955 OG SER A 71 25.688 13.278 -6.768 1.00 0.00 O ATOM 0 H SER A 71 26.575 10.819 -7.220 1.00 0.00 H new ATOM 0 HA SER A 71 28.692 12.677 -8.140 1.00 0.00 H new ATOM 0 HB2 SER A 71 27.151 14.485 -7.569 1.00 0.00 H new ATOM 0 HB3 SER A 71 26.376 13.398 -8.704 1.00 0.00 H new ATOM 0 HG SER A 71 24.989 13.946 -6.928 1.00 0.00 H new ATOM 961 N GLY A 72 29.223 13.528 -5.767 1.00 0.00 N ATOM 962 CA GLY A 72 29.770 13.703 -4.434 1.00 0.00 C ATOM 963 C GLY A 72 29.247 14.951 -3.751 1.00 0.00 C ATOM 964 O GLY A 72 28.118 14.938 -3.263 1.00 0.00 O ATOM 0 H GLY A 72 29.541 14.212 -6.454 1.00 0.00 H new ATOM 0 HA2 GLY A 72 29.526 12.831 -3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 72 30.857 13.754 -4.495 1.00 0.00 H new TER 968 GLY A 72 HETATM 969 ZN ZN A 201 -8.403 -1.543 -5.992 1.00 0.00 ZN HETATM 970 ZN ZN A 401 10.027 -3.595 -6.587 1.00 0.00 ZN