USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 485 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot -147:sc= 1.11 USER MOD Set 1.2: A 52 ASN : amide:sc= 1.11 K(o=2.2,f=-2.6) USER MOD Set 2.1: A 9 ASN : amide:sc= -3.58! C(o=-5.6!,f=-8.2!) USER MOD Set 2.2: A 11 SER OG : rot 103:sc= -2.01! USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 139:sc= 0.802 USER MOD Single : A 8 GLN : amide:sc= -2.18 K(o=-2.2,f=-3.2!) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -2.26! C(o=-2.3!,f=-5.3!) USER MOD Single : A 29 ASN : amide:sc= -0.343 K(o=-0.34,f=-3.2!) USER MOD Single : A 32 ASN : amide:sc= -0.54 K(o=-0.54,f=-1.2) USER MOD Single : A 34 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0016) USER MOD Single : A 38 SER OG : rot 170:sc= -0.861 USER MOD Single : A 40 SER OG : rot 180:sc= 0.985 USER MOD Single : A 41 ASN : amide:sc= -3.69! C(o=-3.7!,f=-2.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.334 X(o=-0.33,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= -1.52 (180deg=-2.3) USER MOD Single : A 55 SER OG : rot 180:sc= -0.177 USER MOD Single : A 56 SER OG : rot 180:sc= -0.171 USER MOD Single : A 57 GLN : amide:sc= -3.06! K(o=-3.1!,f=-1.8) USER MOD Single : A 59 SER OG : rot -5:sc= 0.843 USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= -0.029 (180deg=-0.396) USER MOD Single : A 61 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 7.558 -3.929 -0.186 1.00 0.00 N ATOM 2 CA GLY A -1 6.371 -3.047 -0.001 1.00 0.00 C ATOM 3 C GLY A -1 5.498 -3.097 -1.256 1.00 0.00 C ATOM 4 O GLY A -1 5.313 -2.092 -1.938 1.00 0.00 O ATOM 0 H1 GLY A -1 8.152 -3.895 0.667 1.00 0.00 H new ATOM 0 H2 GLY A -1 7.242 -4.906 -0.350 1.00 0.00 H new ATOM 0 H3 GLY A -1 8.109 -3.602 -1.005 1.00 0.00 H new ATOM 0 HA2 GLY A -1 5.797 -3.370 0.867 1.00 0.00 H new ATOM 0 HA3 GLY A -1 6.692 -2.023 0.191 1.00 0.00 H new ATOM 10 N SER A 0 4.967 -4.275 -1.553 1.00 0.00 N ATOM 11 CA SER A 0 4.122 -4.440 -2.724 1.00 0.00 C ATOM 12 C SER A 0 2.831 -3.636 -2.558 1.00 0.00 C ATOM 13 O SER A 0 2.402 -2.930 -3.468 1.00 0.00 O ATOM 14 CB SER A 0 3.787 -5.916 -2.904 1.00 0.00 C ATOM 15 OG SER A 0 4.983 -6.680 -2.845 1.00 0.00 O ATOM 0 H SER A 0 5.106 -5.123 -1.004 1.00 0.00 H new ATOM 0 HA SER A 0 4.654 -4.076 -3.603 1.00 0.00 H new ATOM 0 HB2 SER A 0 3.096 -6.241 -2.127 1.00 0.00 H new ATOM 0 HB3 SER A 0 3.288 -6.073 -3.860 1.00 0.00 H new ATOM 0 HG SER A 0 4.770 -7.630 -2.959 1.00 0.00 H new ATOM 21 N MET A 1 2.218 -3.749 -1.390 1.00 0.00 N ATOM 22 CA MET A 1 0.984 -3.031 -1.119 1.00 0.00 C ATOM 23 C MET A 1 1.298 -1.665 -0.509 1.00 0.00 C ATOM 24 O MET A 1 1.362 -1.515 0.710 1.00 0.00 O ATOM 25 CB MET A 1 0.120 -3.839 -0.155 1.00 0.00 C ATOM 26 CG MET A 1 -0.100 -5.238 -0.722 1.00 0.00 C ATOM 27 SD MET A 1 -1.094 -6.211 0.436 1.00 0.00 S ATOM 28 CE MET A 1 -1.040 -7.773 -0.476 1.00 0.00 C ATOM 0 H MET A 1 2.553 -4.327 -0.619 1.00 0.00 H new ATOM 0 HA MET A 1 0.443 -2.887 -2.054 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.604 -3.902 0.819 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.838 -3.341 -0.003 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.604 -5.176 -1.687 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.859 -5.727 -0.894 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.602 -8.532 0.069 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.481 -7.634 -1.463 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.004 -8.096 -0.584 1.00 0.00 H new ATOM 38 N ALA A 2 1.490 -0.673 -1.366 1.00 0.00 N ATOM 39 CA ALA A 2 1.794 0.672 -0.905 1.00 0.00 C ATOM 40 C ALA A 2 1.327 1.691 -1.945 1.00 0.00 C ATOM 41 O ALA A 2 2.137 2.356 -2.588 1.00 0.00 O ATOM 42 CB ALA A 2 3.295 0.817 -0.683 1.00 0.00 C ATOM 0 H ALA A 2 1.441 -0.774 -2.380 1.00 0.00 H new ATOM 0 HA ALA A 2 1.274 0.853 0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.516 1.827 -0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.623 0.097 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.821 0.631 -1.619 1.00 0.00 H new ATOM 48 N ASP A 3 0.017 1.800 -2.107 1.00 0.00 N ATOM 49 CA ASP A 3 -0.545 2.730 -3.075 1.00 0.00 C ATOM 50 C ASP A 3 -1.603 3.618 -2.414 1.00 0.00 C ATOM 51 O ASP A 3 -2.546 4.066 -3.066 1.00 0.00 O ATOM 52 CB ASP A 3 -1.174 1.948 -4.225 1.00 0.00 C ATOM 53 CG ASP A 3 -2.012 0.791 -3.676 1.00 0.00 C ATOM 54 OD1 ASP A 3 -3.010 1.060 -3.026 1.00 0.00 O ATOM 55 OD2 ASP A 3 -1.637 -0.347 -3.908 1.00 0.00 O ATOM 0 H ASP A 3 -0.673 1.260 -1.585 1.00 0.00 H new ATOM 0 HA ASP A 3 0.253 3.366 -3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.800 2.608 -4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.395 1.563 -4.883 1.00 0.00 H new ATOM 60 N THR A 4 -1.444 3.876 -1.124 1.00 0.00 N ATOM 61 CA THR A 4 -2.394 4.707 -0.412 1.00 0.00 C ATOM 62 C THR A 4 -2.065 6.184 -0.630 1.00 0.00 C ATOM 63 O THR A 4 -0.903 6.588 -0.599 1.00 0.00 O ATOM 64 CB THR A 4 -2.346 4.378 1.075 1.00 0.00 C ATOM 65 OG1 THR A 4 -1.000 4.422 1.528 1.00 0.00 O ATOM 66 CG2 THR A 4 -2.919 2.986 1.303 1.00 0.00 C ATOM 0 H THR A 4 -0.673 3.524 -0.557 1.00 0.00 H new ATOM 0 HA THR A 4 -3.397 4.511 -0.792 1.00 0.00 H new ATOM 0 HB THR A 4 -2.936 5.108 1.630 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.964 4.859 2.404 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.886 2.748 2.366 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.952 2.957 0.957 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.330 2.255 0.749 1.00 0.00 H new ATOM 74 N ARG A 5 -3.096 6.983 -0.853 1.00 0.00 N ATOM 75 CA ARG A 5 -2.910 8.408 -1.075 1.00 0.00 C ATOM 76 C ARG A 5 -3.541 9.212 0.065 1.00 0.00 C ATOM 77 O ARG A 5 -3.868 10.386 -0.097 1.00 0.00 O ATOM 78 CB ARG A 5 -3.552 8.801 -2.401 1.00 0.00 C ATOM 79 CG ARG A 5 -2.862 8.053 -3.536 1.00 0.00 C ATOM 80 CD ARG A 5 -3.687 8.177 -4.812 1.00 0.00 C ATOM 81 NE ARG A 5 -3.826 9.578 -5.185 1.00 0.00 N ATOM 82 CZ ARG A 5 -4.513 9.940 -6.265 1.00 0.00 C ATOM 83 NH1 ARG A 5 -5.083 9.034 -7.021 1.00 0.00 N ATOM 84 NH2 ARG A 5 -4.617 11.207 -6.575 1.00 0.00 N ATOM 0 H ARG A 5 -4.067 6.671 -0.885 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.843 8.627 -1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.616 8.564 -2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.467 9.877 -2.555 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.863 8.459 -3.697 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -2.741 7.003 -3.271 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.207 7.624 -5.619 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.671 7.733 -4.662 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.388 10.295 -4.607 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -5.001 8.046 -6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.609 9.317 -7.848 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.172 11.914 -5.989 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.143 11.488 -7.402 1.00 0.00 H new ATOM 98 N ARG A 6 -3.704 8.574 1.217 1.00 0.00 N ATOM 99 CA ARG A 6 -4.290 9.233 2.373 1.00 0.00 C ATOM 100 C ARG A 6 -3.658 8.677 3.650 1.00 0.00 C ATOM 101 O ARG A 6 -3.006 9.400 4.402 1.00 0.00 O ATOM 102 CB ARG A 6 -5.797 8.993 2.398 1.00 0.00 C ATOM 103 CG ARG A 6 -6.478 9.906 1.384 1.00 0.00 C ATOM 104 CD ARG A 6 -7.904 9.422 1.139 1.00 0.00 C ATOM 105 NE ARG A 6 -7.881 8.097 0.536 1.00 0.00 N ATOM 106 CZ ARG A 6 -7.480 7.909 -0.722 1.00 0.00 C ATOM 107 NH1 ARG A 6 -7.120 8.925 -1.468 1.00 0.00 N ATOM 108 NH2 ARG A 6 -7.458 6.699 -1.219 1.00 0.00 N ATOM 0 H ARG A 6 -3.438 7.602 1.374 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.102 10.305 2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.013 7.950 2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.189 9.185 3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.489 10.932 1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.918 9.910 0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.454 9.394 2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.427 10.120 0.485 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.179 7.293 1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.145 9.871 -1.088 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.815 8.769 -2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.746 5.907 -0.645 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.152 6.548 -2.180 1.00 0.00 H new ATOM 122 N ARG A 7 -3.848 7.387 3.880 1.00 0.00 N ATOM 123 CA ARG A 7 -3.285 6.743 5.056 1.00 0.00 C ATOM 124 C ARG A 7 -1.779 6.563 4.871 1.00 0.00 C ATOM 125 O ARG A 7 -1.335 5.780 4.032 1.00 0.00 O ATOM 126 CB ARG A 7 -3.944 5.383 5.263 1.00 0.00 C ATOM 127 CG ARG A 7 -3.264 4.652 6.417 1.00 0.00 C ATOM 128 CD ARG A 7 -3.923 3.290 6.614 1.00 0.00 C ATOM 129 NE ARG A 7 -3.181 2.519 7.603 1.00 0.00 N ATOM 130 CZ ARG A 7 -3.551 1.284 7.936 1.00 0.00 C ATOM 131 NH1 ARG A 7 -4.606 0.735 7.387 1.00 0.00 N ATOM 132 NH2 ARG A 7 -2.859 0.615 8.822 1.00 0.00 N ATOM 0 H ARG A 7 -4.385 6.769 3.272 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.468 7.367 5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.005 5.511 5.476 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.871 4.790 4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.202 4.527 6.207 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.341 5.241 7.331 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.955 3.419 6.940 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.953 2.750 5.667 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.362 2.933 8.049 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.151 1.254 6.699 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.882 -0.212 7.648 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.039 1.040 9.255 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.139 -0.331 9.080 1.00 0.00 H new ATOM 146 N GLN A 8 -1.000 7.293 5.655 1.00 0.00 N ATOM 147 CA GLN A 8 0.447 7.200 5.562 1.00 0.00 C ATOM 148 C GLN A 8 1.018 6.664 6.877 1.00 0.00 C ATOM 149 O GLN A 8 0.273 6.305 7.792 1.00 0.00 O ATOM 150 CB GLN A 8 1.039 8.573 5.257 1.00 0.00 C ATOM 151 CG GLN A 8 1.772 8.537 3.915 1.00 0.00 C ATOM 152 CD GLN A 8 2.801 7.403 3.911 1.00 0.00 C ATOM 153 OE1 GLN A 8 2.496 6.265 3.556 1.00 0.00 O ATOM 154 NE2 GLN A 8 4.015 7.667 4.313 1.00 0.00 N ATOM 0 H GLN A 8 -1.342 7.950 6.356 1.00 0.00 H new ATOM 0 HA GLN A 8 0.709 6.516 4.755 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.248 9.322 5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.727 8.866 6.050 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.057 8.394 3.105 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.269 9.491 3.737 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.261 8.613 4.606 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.717 6.928 4.334 1.00 0.00 H new ATOM 163 N ASN A 9 2.339 6.622 6.968 1.00 0.00 N ATOM 164 CA ASN A 9 2.991 6.140 8.156 1.00 0.00 C ATOM 165 C ASN A 9 2.909 7.190 9.248 1.00 0.00 C ATOM 166 O ASN A 9 3.431 8.280 9.102 1.00 0.00 O ATOM 167 CB ASN A 9 4.456 5.869 7.849 1.00 0.00 C ATOM 168 CG ASN A 9 5.228 5.779 9.164 1.00 0.00 C ATOM 169 OD1 ASN A 9 5.489 4.695 9.681 1.00 0.00 O ATOM 170 ND2 ASN A 9 5.582 6.897 9.735 1.00 0.00 N ATOM 0 H ASN A 9 2.973 6.919 6.226 1.00 0.00 H new ATOM 0 HA ASN A 9 2.500 5.225 8.488 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.558 4.940 7.288 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.864 6.665 7.226 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.083 6.880 10.623 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.358 7.789 9.293 1.00 0.00 H new ATOM 177 N HIS A 10 2.277 6.851 10.343 1.00 0.00 N ATOM 178 CA HIS A 10 2.179 7.773 11.456 1.00 0.00 C ATOM 179 C HIS A 10 3.233 7.431 12.512 1.00 0.00 C ATOM 180 O HIS A 10 3.480 8.202 13.438 1.00 0.00 O ATOM 181 CB HIS A 10 0.784 7.713 12.047 1.00 0.00 C ATOM 182 CG HIS A 10 -0.115 8.586 11.221 1.00 0.00 C ATOM 183 ND1 HIS A 10 -0.775 8.118 10.090 1.00 0.00 N ATOM 184 CD2 HIS A 10 -0.457 9.909 11.338 1.00 0.00 C ATOM 185 CE1 HIS A 10 -1.477 9.149 9.579 1.00 0.00 C ATOM 186 NE2 HIS A 10 -1.317 10.265 10.306 1.00 0.00 N ATOM 0 H HIS A 10 1.824 5.950 10.492 1.00 0.00 H new ATOM 0 HA HIS A 10 2.364 8.788 11.105 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.417 6.687 12.051 1.00 0.00 H new ATOM 0 HB3 HIS A 10 0.795 8.052 13.083 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -0.735 7.170 9.716 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.110 10.574 12.115 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.092 9.085 8.694 1.00 0.00 H new ATOM 195 N SER A 11 3.838 6.260 12.363 1.00 0.00 N ATOM 196 CA SER A 11 4.847 5.795 13.294 1.00 0.00 C ATOM 197 C SER A 11 5.975 6.816 13.438 1.00 0.00 C ATOM 198 O SER A 11 6.372 7.472 12.475 1.00 0.00 O ATOM 199 CB SER A 11 5.411 4.474 12.794 1.00 0.00 C ATOM 200 OG SER A 11 4.342 3.660 12.332 1.00 0.00 O ATOM 0 H SER A 11 3.643 5.613 11.599 1.00 0.00 H new ATOM 0 HA SER A 11 4.386 5.661 14.273 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.125 4.650 11.990 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.951 3.968 13.594 1.00 0.00 H new ATOM 0 HG SER A 11 4.320 3.674 11.352 1.00 0.00 H new ATOM 206 N CYS A 12 6.470 6.939 14.658 1.00 0.00 N ATOM 207 CA CYS A 12 7.535 7.867 14.970 1.00 0.00 C ATOM 208 C CYS A 12 8.802 7.585 14.132 1.00 0.00 C ATOM 209 O CYS A 12 8.927 6.540 13.490 1.00 0.00 O ATOM 210 CB CYS A 12 7.840 7.770 16.458 1.00 0.00 C ATOM 211 SG CYS A 12 8.759 6.255 16.809 1.00 0.00 S ATOM 0 H CYS A 12 6.143 6.397 15.457 1.00 0.00 H new ATOM 0 HA CYS A 12 7.211 8.877 14.720 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.419 8.637 16.775 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.911 7.781 17.028 1.00 0.00 H new ATOM 216 N ASP A 13 9.709 8.561 14.135 1.00 0.00 N ATOM 217 CA ASP A 13 10.969 8.510 13.377 1.00 0.00 C ATOM 218 C ASP A 13 11.612 7.117 13.265 1.00 0.00 C ATOM 219 O ASP A 13 11.861 6.633 12.163 1.00 0.00 O ATOM 220 CB ASP A 13 11.982 9.441 14.030 1.00 0.00 C ATOM 221 CG ASP A 13 12.174 10.680 13.166 1.00 0.00 C ATOM 222 OD1 ASP A 13 11.220 11.416 13.015 1.00 0.00 O ATOM 223 OD2 ASP A 13 13.269 10.870 12.665 1.00 0.00 O ATOM 0 H ASP A 13 9.593 9.422 14.669 1.00 0.00 H new ATOM 0 HA ASP A 13 10.705 8.812 12.363 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.638 9.729 15.023 1.00 0.00 H new ATOM 0 HB3 ASP A 13 12.934 8.925 14.159 1.00 0.00 H new ATOM 228 N PRO A 14 11.964 6.486 14.392 1.00 0.00 N ATOM 229 CA PRO A 14 12.657 5.192 14.396 1.00 0.00 C ATOM 230 C PRO A 14 11.866 4.030 13.792 1.00 0.00 C ATOM 231 O PRO A 14 12.446 3.143 13.168 1.00 0.00 O ATOM 232 CB PRO A 14 12.970 4.955 15.867 1.00 0.00 C ATOM 233 CG PRO A 14 11.929 5.766 16.615 1.00 0.00 C ATOM 234 CD PRO A 14 11.685 6.989 15.735 1.00 0.00 C ATOM 0 HA PRO A 14 13.539 5.230 13.756 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.906 3.897 16.121 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.980 5.281 16.115 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.012 5.195 16.762 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.287 6.054 17.603 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.662 7.354 15.825 1.00 0.00 H new ATOM 0 HD3 PRO A 14 12.343 7.816 16.001 1.00 0.00 H new ATOM 242 N CYS A 15 10.565 4.007 13.983 1.00 0.00 N ATOM 243 CA CYS A 15 9.778 2.918 13.450 1.00 0.00 C ATOM 244 C CYS A 15 9.529 3.090 11.955 1.00 0.00 C ATOM 245 O CYS A 15 9.659 2.138 11.196 1.00 0.00 O ATOM 246 CB CYS A 15 8.459 2.847 14.183 1.00 0.00 C ATOM 247 SG CYS A 15 8.775 2.570 15.932 1.00 0.00 S ATOM 0 H CYS A 15 10.038 4.716 14.493 1.00 0.00 H new ATOM 0 HA CYS A 15 10.334 1.992 13.593 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.900 3.773 14.043 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.847 2.041 13.779 1.00 0.00 H new ATOM 252 N ARG A 16 9.161 4.288 11.528 1.00 0.00 N ATOM 253 CA ARG A 16 8.896 4.501 10.116 1.00 0.00 C ATOM 254 C ARG A 16 10.103 4.071 9.275 1.00 0.00 C ATOM 255 O ARG A 16 9.952 3.373 8.273 1.00 0.00 O ATOM 256 CB ARG A 16 8.542 5.957 9.856 1.00 0.00 C ATOM 257 CG ARG A 16 9.663 6.850 10.341 1.00 0.00 C ATOM 258 CD ARG A 16 9.242 8.302 10.205 1.00 0.00 C ATOM 259 NE ARG A 16 9.804 8.872 8.993 1.00 0.00 N ATOM 260 CZ ARG A 16 11.121 8.986 8.812 1.00 0.00 C ATOM 261 NH1 ARG A 16 11.963 8.612 9.746 1.00 0.00 N ATOM 262 NH2 ARG A 16 11.576 9.498 7.697 1.00 0.00 N ATOM 0 H ARG A 16 9.042 5.108 12.122 1.00 0.00 H new ATOM 0 HA ARG A 16 8.043 3.888 9.824 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.373 6.115 8.791 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.614 6.212 10.367 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.900 6.624 11.381 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.567 6.666 9.761 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.155 8.373 10.179 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.578 8.869 11.073 1.00 0.00 H new ATOM 0 HE ARG A 16 9.174 9.195 8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.613 8.228 10.624 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.967 8.705 9.594 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.925 9.806 6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.581 9.589 7.550 1.00 0.00 H new ATOM 276 N LYS A 17 11.301 4.471 9.687 1.00 0.00 N ATOM 277 CA LYS A 17 12.500 4.092 8.954 1.00 0.00 C ATOM 278 C LYS A 17 12.738 2.579 9.063 1.00 0.00 C ATOM 279 O LYS A 17 13.286 1.960 8.152 1.00 0.00 O ATOM 280 CB LYS A 17 13.710 4.863 9.483 1.00 0.00 C ATOM 281 CG LYS A 17 14.068 4.387 10.887 1.00 0.00 C ATOM 282 CD LYS A 17 15.151 3.314 10.805 1.00 0.00 C ATOM 283 CE LYS A 17 15.450 2.784 12.203 1.00 0.00 C ATOM 284 NZ LYS A 17 16.490 1.718 12.121 1.00 0.00 N ATOM 0 H LYS A 17 11.466 5.048 10.512 1.00 0.00 H new ATOM 0 HA LYS A 17 12.360 4.344 7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.560 4.721 8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.491 5.931 9.498 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.419 5.226 11.488 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.183 3.988 11.383 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.823 2.500 10.159 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.056 3.729 10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.795 3.595 12.844 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.541 2.386 12.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.693 1.357 13.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 16.144 0.941 11.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 17.359 2.112 11.708 1.00 0.00 H new ATOM 298 N GLY A 18 12.334 1.991 10.185 1.00 0.00 N ATOM 299 CA GLY A 18 12.522 0.561 10.397 1.00 0.00 C ATOM 300 C GLY A 18 11.278 -0.240 9.986 1.00 0.00 C ATOM 301 O GLY A 18 11.171 -1.426 10.295 1.00 0.00 O ATOM 0 H GLY A 18 11.878 2.479 10.956 1.00 0.00 H new ATOM 0 HA2 GLY A 18 13.383 0.218 9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.745 0.375 11.448 1.00 0.00 H new ATOM 305 N LYS A 19 10.348 0.403 9.289 1.00 0.00 N ATOM 306 CA LYS A 19 9.135 -0.268 8.841 1.00 0.00 C ATOM 307 C LYS A 19 8.339 -0.828 10.029 1.00 0.00 C ATOM 308 O LYS A 19 7.759 -1.908 9.944 1.00 0.00 O ATOM 309 CB LYS A 19 9.499 -1.398 7.887 1.00 0.00 C ATOM 310 CG LYS A 19 10.369 -0.848 6.762 1.00 0.00 C ATOM 311 CD LYS A 19 10.776 -1.982 5.828 1.00 0.00 C ATOM 312 CE LYS A 19 11.691 -1.435 4.738 1.00 0.00 C ATOM 313 NZ LYS A 19 12.078 -2.536 3.810 1.00 0.00 N ATOM 0 H LYS A 19 10.411 1.386 9.023 1.00 0.00 H new ATOM 0 HA LYS A 19 8.510 0.462 8.327 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.031 -2.184 8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.595 -1.848 7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.824 -0.085 6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.256 -0.368 7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.287 -2.764 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.891 -2.436 5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.184 -0.643 4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.581 -0.993 5.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.702 -2.161 3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.578 -3.278 4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.224 -2.939 3.374 1.00 0.00 H new ATOM 327 N ARG A 20 8.298 -0.080 11.122 1.00 0.00 N ATOM 328 CA ARG A 20 7.556 -0.502 12.294 1.00 0.00 C ATOM 329 C ARG A 20 6.359 0.418 12.489 1.00 0.00 C ATOM 330 O ARG A 20 6.477 1.637 12.412 1.00 0.00 O ATOM 331 CB ARG A 20 8.435 -0.428 13.537 1.00 0.00 C ATOM 332 CG ARG A 20 9.630 -1.359 13.401 1.00 0.00 C ATOM 333 CD ARG A 20 10.400 -1.356 14.715 1.00 0.00 C ATOM 334 NE ARG A 20 11.660 -2.063 14.562 1.00 0.00 N ATOM 335 CZ ARG A 20 12.522 -2.156 15.571 1.00 0.00 C ATOM 336 NH1 ARG A 20 12.242 -1.615 16.731 1.00 0.00 N ATOM 337 NH2 ARG A 20 13.651 -2.792 15.406 1.00 0.00 N ATOM 0 H ARG A 20 8.769 0.819 11.219 1.00 0.00 H new ATOM 0 HA ARG A 20 7.227 -1.531 12.147 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.779 0.596 13.686 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.853 -0.700 14.418 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.297 -2.369 13.160 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.274 -1.032 12.585 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.587 -0.330 15.033 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.803 -1.828 15.495 1.00 0.00 H new ATOM 0 HE ARG A 20 11.887 -2.495 13.666 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.360 -1.120 16.863 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.906 -1.689 17.502 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.870 -3.216 14.505 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.313 -2.864 16.178 1.00 0.00 H new ATOM 351 N ARG A 21 5.212 -0.166 12.747 1.00 0.00 N ATOM 352 CA ARG A 21 4.016 0.618 12.969 1.00 0.00 C ATOM 353 C ARG A 21 3.773 0.722 14.467 1.00 0.00 C ATOM 354 O ARG A 21 3.673 -0.293 15.156 1.00 0.00 O ATOM 355 CB ARG A 21 2.832 -0.057 12.306 1.00 0.00 C ATOM 356 CG ARG A 21 3.298 -0.718 11.019 1.00 0.00 C ATOM 357 CD ARG A 21 2.148 -1.493 10.401 1.00 0.00 C ATOM 358 NE ARG A 21 2.676 -2.467 9.461 1.00 0.00 N ATOM 359 CZ ARG A 21 3.221 -3.610 9.872 1.00 0.00 C ATOM 360 NH1 ARG A 21 3.274 -3.903 11.148 1.00 0.00 N ATOM 361 NH2 ARG A 21 3.707 -4.449 8.993 1.00 0.00 N ATOM 0 H ARG A 21 5.080 -1.176 12.808 1.00 0.00 H new ATOM 0 HA ARG A 21 4.140 1.613 12.542 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.398 -0.800 12.975 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.052 0.674 12.093 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.659 0.037 10.320 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.133 -1.388 11.224 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.573 -1.996 11.179 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.467 -0.811 9.892 1.00 0.00 H new ATOM 0 HE ARG A 21 2.628 -2.270 8.461 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.896 -3.253 11.837 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.694 -4.781 11.453 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.667 -4.226 7.999 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.126 -5.326 9.302 1.00 0.00 H new ATOM 375 N CYS A 22 3.688 1.937 14.978 1.00 0.00 N ATOM 376 CA CYS A 22 3.470 2.096 16.404 1.00 0.00 C ATOM 377 C CYS A 22 2.191 2.864 16.714 1.00 0.00 C ATOM 378 O CYS A 22 1.441 3.263 15.824 1.00 0.00 O ATOM 379 CB CYS A 22 4.653 2.787 17.069 1.00 0.00 C ATOM 380 SG CYS A 22 5.287 4.168 16.078 1.00 0.00 S ATOM 0 H CYS A 22 3.764 2.804 14.446 1.00 0.00 H new ATOM 0 HA CYS A 22 3.366 1.090 16.810 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.352 3.154 18.050 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.451 2.062 17.231 1.00 0.00 H new ATOM 385 N ASP A 23 1.965 3.054 18.007 1.00 0.00 N ATOM 386 CA ASP A 23 0.792 3.759 18.493 1.00 0.00 C ATOM 387 C ASP A 23 0.896 5.233 18.121 1.00 0.00 C ATOM 388 O ASP A 23 -0.082 5.846 17.701 1.00 0.00 O ATOM 389 CB ASP A 23 0.711 3.630 20.013 1.00 0.00 C ATOM 390 CG ASP A 23 1.220 2.254 20.454 1.00 0.00 C ATOM 391 OD1 ASP A 23 0.493 1.292 20.282 1.00 0.00 O ATOM 392 OD2 ASP A 23 2.342 2.187 20.940 1.00 0.00 O ATOM 0 H ASP A 23 2.588 2.724 18.744 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.101 3.328 18.041 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.304 4.414 20.484 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.319 3.768 20.343 1.00 0.00 H new ATOM 397 N ALA A 24 2.096 5.777 18.296 1.00 0.00 N ATOM 398 CA ALA A 24 2.380 7.175 17.997 1.00 0.00 C ATOM 399 C ALA A 24 1.527 7.683 16.830 1.00 0.00 C ATOM 400 O ALA A 24 1.836 7.437 15.666 1.00 0.00 O ATOM 401 CB ALA A 24 3.853 7.318 17.638 1.00 0.00 C ATOM 0 H ALA A 24 2.900 5.259 18.650 1.00 0.00 H new ATOM 0 HA ALA A 24 2.140 7.769 18.879 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.073 8.362 17.413 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.466 6.991 18.478 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.076 6.704 16.766 1.00 0.00 H new ATOM 407 N PRO A 25 0.443 8.406 17.137 1.00 0.00 N ATOM 408 CA PRO A 25 -0.459 8.960 16.137 1.00 0.00 C ATOM 409 C PRO A 25 0.081 10.262 15.560 1.00 0.00 C ATOM 410 O PRO A 25 1.178 10.689 15.902 1.00 0.00 O ATOM 411 CB PRO A 25 -1.747 9.200 16.909 1.00 0.00 C ATOM 412 CG PRO A 25 -1.315 9.404 18.357 1.00 0.00 C ATOM 413 CD PRO A 25 0.046 8.722 18.508 1.00 0.00 C ATOM 0 HA PRO A 25 -0.592 8.297 15.282 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.276 10.074 16.529 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.425 8.352 16.816 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.245 10.466 18.594 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.043 8.971 19.043 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.769 9.379 18.991 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -0.025 7.822 19.119 1.00 0.00 H new ATOM 421 N GLU A 26 -0.701 10.903 14.708 1.00 0.00 N ATOM 422 CA GLU A 26 -0.275 12.162 14.134 1.00 0.00 C ATOM 423 C GLU A 26 -0.101 13.175 15.261 1.00 0.00 C ATOM 424 O GLU A 26 0.640 14.149 15.138 1.00 0.00 O ATOM 425 CB GLU A 26 -1.307 12.659 13.135 1.00 0.00 C ATOM 426 CG GLU A 26 -2.605 12.904 13.865 1.00 0.00 C ATOM 427 CD GLU A 26 -3.704 13.275 12.870 1.00 0.00 C ATOM 428 OE1 GLU A 26 -3.527 14.250 12.160 1.00 0.00 O ATOM 429 OE2 GLU A 26 -4.702 12.574 12.831 1.00 0.00 O ATOM 0 H GLU A 26 -1.619 10.577 14.404 1.00 0.00 H new ATOM 0 HA GLU A 26 0.670 12.028 13.608 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.962 13.577 12.659 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.451 11.924 12.343 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.893 12.012 14.421 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.477 13.705 14.593 1.00 0.00 H new ATOM 436 N ASN A 27 -0.795 12.928 16.363 1.00 0.00 N ATOM 437 CA ASN A 27 -0.726 13.803 17.508 1.00 0.00 C ATOM 438 C ASN A 27 0.129 13.186 18.618 1.00 0.00 C ATOM 439 O ASN A 27 -0.257 13.204 19.781 1.00 0.00 O ATOM 440 CB ASN A 27 -2.131 14.020 18.027 1.00 0.00 C ATOM 441 CG ASN A 27 -2.470 15.502 18.003 1.00 0.00 C ATOM 442 OD1 ASN A 27 -1.593 16.363 17.932 1.00 0.00 O ATOM 443 ND2 ASN A 27 -3.722 15.827 18.077 1.00 0.00 N ATOM 0 H ASN A 27 -1.412 12.124 16.481 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.271 14.747 17.209 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.843 13.465 17.416 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.216 13.635 19.043 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.995 16.810 18.077 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.435 15.100 18.135 1.00 0.00 H new ATOM 450 N ARG A 28 1.289 12.653 18.265 1.00 0.00 N ATOM 451 CA ARG A 28 2.165 12.062 19.254 1.00 0.00 C ATOM 452 C ARG A 28 2.512 13.108 20.319 1.00 0.00 C ATOM 453 O ARG A 28 2.737 12.781 21.484 1.00 0.00 O ATOM 454 CB ARG A 28 3.412 11.551 18.551 1.00 0.00 C ATOM 455 CG ARG A 28 4.659 12.114 19.202 1.00 0.00 C ATOM 456 CD ARG A 28 5.868 11.750 18.353 1.00 0.00 C ATOM 457 NE ARG A 28 7.087 12.127 19.052 1.00 0.00 N ATOM 458 CZ ARG A 28 7.407 13.404 19.250 1.00 0.00 C ATOM 459 NH1 ARG A 28 6.675 14.358 18.735 1.00 0.00 N ATOM 460 NH2 ARG A 28 8.477 13.705 19.939 1.00 0.00 N ATOM 0 H ARG A 28 1.640 12.619 17.308 1.00 0.00 H new ATOM 0 HA ARG A 28 1.676 11.226 19.754 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.436 10.462 18.587 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.385 11.834 17.499 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.578 13.197 19.297 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.772 11.713 20.209 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.871 10.680 18.147 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.816 12.260 17.391 1.00 0.00 H new ATOM 0 HE ARG A 28 7.710 11.397 19.398 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.853 14.126 18.178 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.926 15.334 18.891 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.062 12.963 20.322 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.726 14.682 20.093 1.00 0.00 H new ATOM 474 N ASN A 29 2.512 14.372 19.918 1.00 0.00 N ATOM 475 CA ASN A 29 2.785 15.452 20.851 1.00 0.00 C ATOM 476 C ASN A 29 1.612 15.549 21.821 1.00 0.00 C ATOM 477 O ASN A 29 1.762 15.379 23.025 1.00 0.00 O ATOM 478 CB ASN A 29 2.935 16.771 20.100 1.00 0.00 C ATOM 479 CG ASN A 29 4.040 16.656 19.051 1.00 0.00 C ATOM 480 OD1 ASN A 29 5.221 16.545 19.377 1.00 0.00 O ATOM 481 ND2 ASN A 29 3.695 16.677 17.791 1.00 0.00 N ATOM 0 H ASN A 29 2.327 14.671 18.961 1.00 0.00 H new ATOM 0 HA ASN A 29 3.712 15.252 21.389 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.993 17.034 19.619 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.170 17.572 20.800 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.408 16.601 17.066 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.713 16.769 17.533 1.00 0.00 H new ATOM 488 N GLU A 30 0.429 15.786 21.275 1.00 0.00 N ATOM 489 CA GLU A 30 -0.771 15.869 22.091 1.00 0.00 C ATOM 490 C GLU A 30 -1.085 14.512 22.735 1.00 0.00 C ATOM 491 O GLU A 30 -2.000 14.400 23.548 1.00 0.00 O ATOM 492 CB GLU A 30 -1.942 16.315 21.225 1.00 0.00 C ATOM 493 CG GLU A 30 -2.319 17.743 21.596 1.00 0.00 C ATOM 494 CD GLU A 30 -3.535 18.189 20.785 1.00 0.00 C ATOM 495 OE1 GLU A 30 -3.420 18.252 19.573 1.00 0.00 O ATOM 496 OE2 GLU A 30 -4.561 18.455 21.388 1.00 0.00 O ATOM 0 H GLU A 30 0.275 15.923 20.276 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.605 16.595 22.887 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.673 16.259 20.170 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.793 15.651 21.372 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.540 17.805 22.662 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.479 18.411 21.405 1.00 0.00 H new ATOM 503 N ALA A 31 -0.321 13.485 22.383 1.00 0.00 N ATOM 504 CA ALA A 31 -0.532 12.169 22.949 1.00 0.00 C ATOM 505 C ALA A 31 0.081 12.145 24.339 1.00 0.00 C ATOM 506 O ALA A 31 -0.544 11.709 25.301 1.00 0.00 O ATOM 507 CB ALA A 31 0.117 11.105 22.062 1.00 0.00 C ATOM 0 H ALA A 31 0.445 13.542 21.712 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.599 11.953 23.010 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.048 10.119 22.497 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.326 11.141 21.067 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.188 11.295 21.990 1.00 0.00 H new ATOM 513 N ASN A 32 1.304 12.641 24.441 1.00 0.00 N ATOM 514 CA ASN A 32 1.973 12.687 25.725 1.00 0.00 C ATOM 515 C ASN A 32 1.187 13.593 26.673 1.00 0.00 C ATOM 516 O ASN A 32 1.115 13.339 27.873 1.00 0.00 O ATOM 517 CB ASN A 32 3.402 13.191 25.554 1.00 0.00 C ATOM 518 CG ASN A 32 3.509 14.650 25.993 1.00 0.00 C ATOM 519 OD1 ASN A 32 3.937 14.952 27.105 1.00 0.00 O ATOM 520 ND2 ASN A 32 3.116 15.571 25.161 1.00 0.00 N ATOM 0 H ASN A 32 1.845 13.012 23.660 1.00 0.00 H new ATOM 0 HA ASN A 32 2.017 11.684 26.151 1.00 0.00 H new ATOM 0 HB2 ASN A 32 4.084 12.577 26.142 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.706 13.095 24.512 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.162 16.554 25.430 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.762 15.310 24.241 1.00 0.00 H new ATOM 527 N GLU A 33 0.580 14.636 26.120 1.00 0.00 N ATOM 528 CA GLU A 33 -0.217 15.548 26.927 1.00 0.00 C ATOM 529 C GLU A 33 -1.414 14.792 27.512 1.00 0.00 C ATOM 530 O GLU A 33 -1.836 15.038 28.641 1.00 0.00 O ATOM 531 CB GLU A 33 -0.729 16.700 26.062 1.00 0.00 C ATOM 532 CG GLU A 33 0.434 17.375 25.342 1.00 0.00 C ATOM 533 CD GLU A 33 1.321 18.114 26.345 1.00 0.00 C ATOM 534 OE1 GLU A 33 0.880 18.314 27.464 1.00 0.00 O ATOM 535 OE2 GLU A 33 2.424 18.476 25.971 1.00 0.00 O ATOM 0 H GLU A 33 0.624 14.869 25.128 1.00 0.00 H new ATOM 0 HA GLU A 33 0.402 15.947 27.731 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.449 16.326 25.334 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.252 17.426 26.684 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.022 16.629 24.807 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.053 18.075 24.598 1.00 0.00 H new ATOM 542 N ASN A 34 -1.959 13.879 26.720 1.00 0.00 N ATOM 543 CA ASN A 34 -3.110 13.092 27.137 1.00 0.00 C ATOM 544 C ASN A 34 -2.712 11.985 28.120 1.00 0.00 C ATOM 545 O ASN A 34 -3.450 11.674 29.051 1.00 0.00 O ATOM 546 CB ASN A 34 -3.751 12.470 25.902 1.00 0.00 C ATOM 547 CG ASN A 34 -4.886 13.360 25.403 1.00 0.00 C ATOM 548 OD1 ASN A 34 -6.003 13.316 25.916 1.00 0.00 O ATOM 549 ND2 ASN A 34 -4.636 14.184 24.427 1.00 0.00 N ATOM 0 H ASN A 34 -1.621 13.665 25.782 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.814 13.751 27.646 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.004 12.344 25.118 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.133 11.477 26.141 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.370 14.802 24.080 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.706 14.212 24.009 1.00 0.00 H new ATOM 556 N GLY A 35 -1.554 11.384 27.901 1.00 0.00 N ATOM 557 CA GLY A 35 -1.096 10.305 28.774 1.00 0.00 C ATOM 558 C GLY A 35 0.044 9.515 28.118 1.00 0.00 C ATOM 559 O GLY A 35 0.888 8.938 28.801 1.00 0.00 O ATOM 0 H GLY A 35 -0.918 11.617 27.138 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.757 10.719 29.723 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.926 9.635 28.997 1.00 0.00 H new ATOM 563 N TRP A 36 0.055 9.504 26.792 1.00 0.00 N ATOM 564 CA TRP A 36 1.081 8.811 26.027 1.00 0.00 C ATOM 565 C TRP A 36 2.460 9.406 26.374 1.00 0.00 C ATOM 566 O TRP A 36 2.579 10.239 27.269 1.00 0.00 O ATOM 567 CB TRP A 36 0.746 9.022 24.549 1.00 0.00 C ATOM 568 CG TRP A 36 1.470 8.146 23.578 1.00 0.00 C ATOM 569 CD1 TRP A 36 1.198 6.848 23.325 1.00 0.00 C ATOM 570 CD2 TRP A 36 2.558 8.511 22.693 1.00 0.00 C ATOM 571 NE1 TRP A 36 2.062 6.400 22.337 1.00 0.00 N ATOM 572 CE2 TRP A 36 2.921 7.391 21.918 1.00 0.00 C ATOM 573 CE3 TRP A 36 3.253 9.708 22.507 1.00 0.00 C ATOM 574 CZ2 TRP A 36 3.947 7.459 20.978 1.00 0.00 C ATOM 575 CZ3 TRP A 36 4.287 9.782 21.565 1.00 0.00 C ATOM 576 CH2 TRP A 36 4.635 8.660 20.798 1.00 0.00 C ATOM 0 H TRP A 36 -0.645 9.974 26.218 1.00 0.00 H new ATOM 0 HA TRP A 36 1.112 7.746 26.256 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.325 8.870 24.415 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.955 10.061 24.295 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.435 6.257 23.811 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.061 5.450 21.965 1.00 0.00 H new ATOM 0 HE3 TRP A 36 2.993 10.579 23.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.208 6.589 20.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.821 10.711 21.428 1.00 0.00 H new ATOM 0 HH2 TRP A 36 5.432 8.725 20.072 1.00 0.00 H new ATOM 587 N VAL A 37 3.497 8.980 25.677 1.00 0.00 N ATOM 588 CA VAL A 37 4.832 9.495 25.937 1.00 0.00 C ATOM 589 C VAL A 37 5.791 9.028 24.841 1.00 0.00 C ATOM 590 O VAL A 37 6.597 9.802 24.329 1.00 0.00 O ATOM 591 CB VAL A 37 5.317 9.021 27.304 1.00 0.00 C ATOM 592 CG1 VAL A 37 5.090 7.519 27.454 1.00 0.00 C ATOM 593 CG2 VAL A 37 6.803 9.322 27.433 1.00 0.00 C ATOM 0 H VAL A 37 3.444 8.285 24.932 1.00 0.00 H new ATOM 0 HA VAL A 37 4.802 10.585 25.937 1.00 0.00 H new ATOM 0 HB VAL A 37 4.759 9.541 28.083 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.440 7.194 28.434 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.026 7.300 27.358 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.641 6.988 26.677 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.159 8.987 28.407 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.350 8.800 26.648 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.967 10.395 27.337 1.00 0.00 H new ATOM 603 N SER A 38 5.683 7.762 24.482 1.00 0.00 N ATOM 604 CA SER A 38 6.508 7.193 23.454 1.00 0.00 C ATOM 605 C SER A 38 5.882 5.882 23.013 1.00 0.00 C ATOM 606 O SER A 38 5.193 5.212 23.781 1.00 0.00 O ATOM 607 CB SER A 38 7.919 6.951 23.970 1.00 0.00 C ATOM 608 OG SER A 38 7.878 6.715 25.370 1.00 0.00 O ATOM 0 H SER A 38 5.020 7.108 24.899 1.00 0.00 H new ATOM 0 HA SER A 38 6.574 7.882 22.612 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.363 6.096 23.459 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.549 7.814 23.754 1.00 0.00 H new ATOM 0 HG SER A 38 8.755 6.402 25.675 1.00 0.00 H new ATOM 614 N CYS A 39 6.103 5.544 21.771 1.00 0.00 N ATOM 615 CA CYS A 39 5.547 4.338 21.214 1.00 0.00 C ATOM 616 C CYS A 39 6.217 3.110 21.823 1.00 0.00 C ATOM 617 O CYS A 39 7.321 3.187 22.364 1.00 0.00 O ATOM 618 CB CYS A 39 5.720 4.351 19.705 1.00 0.00 C ATOM 619 SG CYS A 39 7.443 4.032 19.257 1.00 0.00 S ATOM 0 H CYS A 39 6.668 6.090 21.121 1.00 0.00 H new ATOM 0 HA CYS A 39 4.484 4.291 21.449 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.076 3.596 19.254 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.408 5.316 19.306 1.00 0.00 H new ATOM 624 N SER A 40 5.525 1.986 21.748 1.00 0.00 N ATOM 625 CA SER A 40 6.029 0.740 22.306 1.00 0.00 C ATOM 626 C SER A 40 7.458 0.447 21.838 1.00 0.00 C ATOM 627 O SER A 40 8.253 -0.113 22.588 1.00 0.00 O ATOM 628 CB SER A 40 5.105 -0.401 21.892 1.00 0.00 C ATOM 629 OG SER A 40 5.570 -1.623 22.444 1.00 0.00 O ATOM 0 H SER A 40 4.609 1.909 21.305 1.00 0.00 H new ATOM 0 HA SER A 40 6.051 0.834 23.392 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.090 -0.201 22.234 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.067 -0.474 20.805 1.00 0.00 H new ATOM 0 HG SER A 40 4.972 -2.352 22.176 1.00 0.00 H new ATOM 635 N ASN A 41 7.789 0.819 20.612 1.00 0.00 N ATOM 636 CA ASN A 41 9.128 0.569 20.104 1.00 0.00 C ATOM 637 C ASN A 41 10.155 1.361 20.914 1.00 0.00 C ATOM 638 O ASN A 41 11.089 0.793 21.472 1.00 0.00 O ATOM 639 CB ASN A 41 9.208 0.967 18.638 1.00 0.00 C ATOM 640 CG ASN A 41 8.402 -0.013 17.783 1.00 0.00 C ATOM 641 OD1 ASN A 41 8.687 -1.209 17.746 1.00 0.00 O ATOM 642 ND2 ASN A 41 7.403 0.457 17.090 1.00 0.00 N ATOM 0 H ASN A 41 7.161 1.288 19.959 1.00 0.00 H new ATOM 0 HA ASN A 41 9.348 -0.494 20.199 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.823 1.978 18.506 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.248 0.976 18.312 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.847 -0.169 16.508 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.178 1.451 17.130 1.00 0.00 H new ATOM 649 N CYS A 42 9.979 2.671 20.975 1.00 0.00 N ATOM 650 CA CYS A 42 10.905 3.510 21.724 1.00 0.00 C ATOM 651 C CYS A 42 10.965 3.072 23.186 1.00 0.00 C ATOM 652 O CYS A 42 12.032 3.002 23.764 1.00 0.00 O ATOM 653 CB CYS A 42 10.470 4.963 21.662 1.00 0.00 C ATOM 654 SG CYS A 42 10.820 5.638 20.027 1.00 0.00 S ATOM 0 H CYS A 42 9.215 3.173 20.522 1.00 0.00 H new ATOM 0 HA CYS A 42 11.892 3.404 21.274 1.00 0.00 H new ATOM 0 HB2 CYS A 42 9.404 5.042 21.877 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.993 5.541 22.424 1.00 0.00 H new ATOM 659 N LYS A 43 9.822 2.798 23.789 1.00 0.00 N ATOM 660 CA LYS A 43 9.813 2.385 25.187 1.00 0.00 C ATOM 661 C LYS A 43 10.417 0.982 25.358 1.00 0.00 C ATOM 662 O LYS A 43 10.821 0.600 26.455 1.00 0.00 O ATOM 663 CB LYS A 43 8.388 2.391 25.708 1.00 0.00 C ATOM 664 CG LYS A 43 7.983 3.826 26.009 1.00 0.00 C ATOM 665 CD LYS A 43 6.484 3.901 26.239 1.00 0.00 C ATOM 666 CE LYS A 43 6.077 2.916 27.330 1.00 0.00 C ATOM 667 NZ LYS A 43 4.606 3.004 27.556 1.00 0.00 N ATOM 0 H LYS A 43 8.904 2.851 23.347 1.00 0.00 H new ATOM 0 HA LYS A 43 10.421 3.089 25.755 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.714 1.955 24.970 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.312 1.781 26.608 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.514 4.186 26.890 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.266 4.475 25.180 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.202 4.914 26.527 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.953 3.673 25.315 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.351 1.902 27.040 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.611 3.139 28.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.328 2.332 28.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.357 3.970 27.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.105 2.771 26.675 1.00 0.00 H new ATOM 681 N ARG A 44 10.459 0.216 24.278 1.00 0.00 N ATOM 682 CA ARG A 44 10.993 -1.139 24.328 1.00 0.00 C ATOM 683 C ARG A 44 12.514 -1.142 24.160 1.00 0.00 C ATOM 684 O ARG A 44 13.243 -1.724 24.962 1.00 0.00 O ATOM 685 CB ARG A 44 10.354 -1.956 23.209 1.00 0.00 C ATOM 686 CG ARG A 44 11.203 -3.178 22.897 1.00 0.00 C ATOM 687 CD ARG A 44 10.497 -4.046 21.857 1.00 0.00 C ATOM 688 NE ARG A 44 9.362 -4.734 22.462 1.00 0.00 N ATOM 689 CZ ARG A 44 8.151 -4.178 22.518 1.00 0.00 C ATOM 690 NH1 ARG A 44 7.920 -3.012 21.964 1.00 0.00 N ATOM 691 NH2 ARG A 44 7.172 -4.815 23.109 1.00 0.00 N ATOM 0 H ARG A 44 10.131 0.508 23.357 1.00 0.00 H new ATOM 0 HA ARG A 44 10.762 -1.574 25.300 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.352 -2.267 23.503 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.248 -1.341 22.315 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.179 -2.868 22.524 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.377 -3.753 23.806 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.156 -3.427 21.027 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.196 -4.774 21.446 1.00 0.00 H new ATOM 0 HE ARG A 44 9.498 -5.666 22.853 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.672 -2.518 21.482 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.989 -2.599 22.015 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.337 -5.732 23.524 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.244 -4.394 23.155 1.00 0.00 H new ATOM 705 N TRP A 45 12.977 -0.508 23.101 1.00 0.00 N ATOM 706 CA TRP A 45 14.395 -0.452 22.805 1.00 0.00 C ATOM 707 C TRP A 45 15.022 0.808 23.398 1.00 0.00 C ATOM 708 O TRP A 45 16.235 0.996 23.328 1.00 0.00 O ATOM 709 CB TRP A 45 14.572 -0.421 21.295 1.00 0.00 C ATOM 710 CG TRP A 45 13.873 -1.536 20.587 1.00 0.00 C ATOM 711 CD1 TRP A 45 12.542 -1.742 20.614 1.00 0.00 C ATOM 712 CD2 TRP A 45 14.431 -2.585 19.742 1.00 0.00 C ATOM 713 NE1 TRP A 45 12.242 -2.846 19.857 1.00 0.00 N ATOM 714 CE2 TRP A 45 13.367 -3.405 19.294 1.00 0.00 C ATOM 715 CE3 TRP A 45 15.734 -2.908 19.325 1.00 0.00 C ATOM 716 CZ2 TRP A 45 13.586 -4.502 18.465 1.00 0.00 C ATOM 717 CZ3 TRP A 45 15.960 -4.015 18.489 1.00 0.00 C ATOM 718 CH2 TRP A 45 14.888 -4.810 18.060 1.00 0.00 C ATOM 0 H TRP A 45 12.387 -0.021 22.427 1.00 0.00 H new ATOM 0 HA TRP A 45 14.883 -1.325 23.238 1.00 0.00 H new ATOM 0 HB2 TRP A 45 14.200 0.530 20.914 1.00 0.00 H new ATOM 0 HB3 TRP A 45 15.636 -0.464 21.061 1.00 0.00 H new ATOM 0 HD1 TRP A 45 11.825 -1.135 21.147 1.00 0.00 H new ATOM 0 HE1 TRP A 45 11.298 -3.209 19.727 1.00 0.00 H new ATOM 0 HE3 TRP A 45 16.567 -2.302 19.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 12.756 -5.110 18.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 16.965 -4.255 18.175 1.00 0.00 H new ATOM 0 HH2 TRP A 45 15.068 -5.659 17.417 1.00 0.00 H new ATOM 729 N ASN A 46 14.188 1.683 23.942 1.00 0.00 N ATOM 730 CA ASN A 46 14.675 2.935 24.495 1.00 0.00 C ATOM 731 C ASN A 46 15.351 3.702 23.363 1.00 0.00 C ATOM 732 O ASN A 46 16.555 3.948 23.381 1.00 0.00 O ATOM 733 CB ASN A 46 15.652 2.665 25.636 1.00 0.00 C ATOM 734 CG ASN A 46 14.880 2.297 26.900 1.00 0.00 C ATOM 735 OD1 ASN A 46 14.926 3.006 27.904 1.00 0.00 O ATOM 736 ND2 ASN A 46 14.166 1.211 26.889 1.00 0.00 N ATOM 0 H ASN A 46 13.179 1.549 24.011 1.00 0.00 H new ATOM 0 HA ASN A 46 13.854 3.523 24.907 1.00 0.00 H new ATOM 0 HB2 ASN A 46 16.329 1.855 25.364 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.266 3.547 25.818 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.637 0.940 27.718 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.134 0.630 26.051 1.00 0.00 H new ATOM 743 N LYS A 47 14.554 4.027 22.353 1.00 0.00 N ATOM 744 CA LYS A 47 15.047 4.709 21.174 1.00 0.00 C ATOM 745 C LYS A 47 14.835 6.230 21.281 1.00 0.00 C ATOM 746 O LYS A 47 15.386 6.875 22.171 1.00 0.00 O ATOM 747 CB LYS A 47 14.319 4.134 19.959 1.00 0.00 C ATOM 748 CG LYS A 47 14.328 2.607 20.052 1.00 0.00 C ATOM 749 CD LYS A 47 13.552 1.993 18.886 1.00 0.00 C ATOM 750 CE LYS A 47 14.504 1.668 17.736 1.00 0.00 C ATOM 751 NZ LYS A 47 15.312 2.870 17.383 1.00 0.00 N ATOM 0 H LYS A 47 13.554 3.825 22.332 1.00 0.00 H new ATOM 0 HA LYS A 47 16.121 4.550 21.074 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.294 4.503 19.924 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.806 4.458 19.039 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.355 2.243 20.044 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.885 2.292 20.997 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.043 1.087 19.215 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.782 2.686 18.546 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.163 0.848 18.020 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.936 1.334 16.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.763 2.726 16.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.693 3.704 17.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.045 3.020 18.105 1.00 0.00 H new ATOM 765 N ASP A 48 14.053 6.800 20.368 1.00 0.00 N ATOM 766 CA ASP A 48 13.809 8.231 20.374 1.00 0.00 C ATOM 767 C ASP A 48 12.483 8.546 19.688 1.00 0.00 C ATOM 768 O ASP A 48 12.416 8.676 18.465 1.00 0.00 O ATOM 769 CB ASP A 48 14.927 8.935 19.629 1.00 0.00 C ATOM 770 CG ASP A 48 14.715 10.447 19.698 1.00 0.00 C ATOM 771 OD1 ASP A 48 14.555 10.953 20.795 1.00 0.00 O ATOM 772 OD2 ASP A 48 14.714 11.074 18.651 1.00 0.00 O ATOM 0 H ASP A 48 13.582 6.292 19.620 1.00 0.00 H new ATOM 0 HA ASP A 48 13.769 8.576 21.407 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.891 8.672 20.066 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.948 8.607 18.590 1.00 0.00 H new ATOM 777 N CYS A 49 11.433 8.665 20.478 1.00 0.00 N ATOM 778 CA CYS A 49 10.122 8.963 19.930 1.00 0.00 C ATOM 779 C CYS A 49 10.047 10.419 19.483 1.00 0.00 C ATOM 780 O CYS A 49 9.853 11.321 20.298 1.00 0.00 O ATOM 781 CB CYS A 49 9.050 8.709 20.978 1.00 0.00 C ATOM 782 SG CYS A 49 7.659 7.883 20.184 1.00 0.00 S ATOM 0 H CYS A 49 11.460 8.561 21.492 1.00 0.00 H new ATOM 0 HA CYS A 49 9.956 8.315 19.069 1.00 0.00 H new ATOM 0 HB2 CYS A 49 9.447 8.092 21.784 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.727 9.649 21.425 1.00 0.00 H new ATOM 787 N THR A 50 10.181 10.651 18.187 1.00 0.00 N ATOM 788 CA THR A 50 10.102 12.008 17.679 1.00 0.00 C ATOM 789 C THR A 50 9.474 12.031 16.291 1.00 0.00 C ATOM 790 O THR A 50 9.480 11.037 15.567 1.00 0.00 O ATOM 791 CB THR A 50 11.486 12.643 17.628 1.00 0.00 C ATOM 792 OG1 THR A 50 11.364 13.984 17.174 1.00 0.00 O ATOM 793 CG2 THR A 50 12.389 11.856 16.682 1.00 0.00 C ATOM 0 H THR A 50 10.342 9.932 17.481 1.00 0.00 H new ATOM 0 HA THR A 50 9.473 12.583 18.358 1.00 0.00 H new ATOM 0 HB THR A 50 11.929 12.631 18.624 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.158 14.227 16.653 1.00 0.00 H new ATOM 0 HG21 THR A 50 13.376 12.318 16.653 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.480 10.829 17.036 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.957 11.858 15.681 1.00 0.00 H new ATOM 801 N PHE A 51 8.947 13.187 15.932 1.00 0.00 N ATOM 802 CA PHE A 51 8.332 13.379 14.644 1.00 0.00 C ATOM 803 C PHE A 51 9.219 14.279 13.801 1.00 0.00 C ATOM 804 O PHE A 51 8.759 15.197 13.130 1.00 0.00 O ATOM 805 CB PHE A 51 6.954 13.991 14.831 1.00 0.00 C ATOM 806 CG PHE A 51 5.947 12.887 15.060 1.00 0.00 C ATOM 807 CD1 PHE A 51 6.357 11.547 15.054 1.00 0.00 C ATOM 808 CD2 PHE A 51 4.598 13.200 15.262 1.00 0.00 C ATOM 809 CE1 PHE A 51 5.427 10.530 15.248 1.00 0.00 C ATOM 810 CE2 PHE A 51 3.666 12.177 15.456 1.00 0.00 C ATOM 811 CZ PHE A 51 4.084 10.840 15.448 1.00 0.00 C ATOM 0 H PHE A 51 8.936 14.014 16.528 1.00 0.00 H new ATOM 0 HA PHE A 51 8.217 12.424 14.132 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.959 14.676 15.679 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.679 14.574 13.952 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.397 11.303 14.898 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.278 14.231 15.268 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.747 9.499 15.243 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.625 12.417 15.612 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.364 10.049 15.597 1.00 0.00 H new ATOM 821 N ASN A 52 10.500 13.979 13.835 1.00 0.00 N ATOM 822 CA ASN A 52 11.477 14.720 13.069 1.00 0.00 C ATOM 823 C ASN A 52 11.170 14.565 11.589 1.00 0.00 C ATOM 824 O ASN A 52 11.349 15.488 10.795 1.00 0.00 O ATOM 825 CB ASN A 52 12.841 14.138 13.342 1.00 0.00 C ATOM 826 CG ASN A 52 13.495 14.843 14.525 1.00 0.00 C ATOM 827 OD1 ASN A 52 12.830 15.268 15.467 1.00 0.00 O ATOM 828 ND2 ASN A 52 14.789 14.966 14.519 1.00 0.00 N ATOM 0 H ASN A 52 10.891 13.219 14.391 1.00 0.00 H new ATOM 0 HA ASN A 52 11.449 15.774 13.346 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.753 13.072 13.550 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.470 14.239 12.458 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.262 15.419 15.301 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.332 14.610 13.732 1.00 0.00 H new ATOM 835 N TRP A 53 10.698 13.382 11.230 1.00 0.00 N ATOM 836 CA TRP A 53 10.352 13.103 9.862 1.00 0.00 C ATOM 837 C TRP A 53 9.291 14.101 9.441 1.00 0.00 C ATOM 838 O TRP A 53 9.308 14.638 8.334 1.00 0.00 O ATOM 839 CB TRP A 53 9.850 11.666 9.736 1.00 0.00 C ATOM 840 CG TRP A 53 8.557 11.350 10.444 1.00 0.00 C ATOM 841 CD1 TRP A 53 8.377 11.185 11.775 1.00 0.00 C ATOM 842 CD2 TRP A 53 7.270 11.108 9.854 1.00 0.00 C ATOM 843 NE1 TRP A 53 7.054 10.864 12.012 1.00 0.00 N ATOM 844 CE2 TRP A 53 6.327 10.802 10.853 1.00 0.00 C ATOM 845 CE3 TRP A 53 6.866 11.139 8.538 1.00 0.00 C ATOM 846 CZ2 TRP A 53 5.001 10.527 10.526 1.00 0.00 C ATOM 847 CZ3 TRP A 53 5.544 10.873 8.200 1.00 0.00 C ATOM 848 CH2 TRP A 53 4.611 10.565 9.188 1.00 0.00 C ATOM 0 H TRP A 53 10.549 12.605 11.874 1.00 0.00 H new ATOM 0 HA TRP A 53 11.220 13.201 9.211 1.00 0.00 H new ATOM 0 HB2 TRP A 53 9.726 11.438 8.677 1.00 0.00 H new ATOM 0 HB3 TRP A 53 10.622 10.998 10.118 1.00 0.00 H new ATOM 0 HD1 TRP A 53 9.143 11.288 12.529 1.00 0.00 H new ATOM 0 HE1 TRP A 53 6.665 10.694 12.939 1.00 0.00 H new ATOM 0 HE3 TRP A 53 7.581 11.372 7.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 4.285 10.288 11.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.238 10.905 7.165 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.587 10.356 8.918 1.00 0.00 H new ATOM 859 N LEU A 54 8.387 14.355 10.359 1.00 0.00 N ATOM 860 CA LEU A 54 7.315 15.307 10.138 1.00 0.00 C ATOM 861 C LEU A 54 7.867 16.724 10.046 1.00 0.00 C ATOM 862 O LEU A 54 7.334 17.574 9.335 1.00 0.00 O ATOM 863 CB LEU A 54 6.366 15.196 11.301 1.00 0.00 C ATOM 864 CG LEU A 54 5.860 13.780 11.307 1.00 0.00 C ATOM 865 CD1 LEU A 54 4.841 13.591 12.392 1.00 0.00 C ATOM 866 CD2 LEU A 54 5.209 13.488 9.970 1.00 0.00 C ATOM 0 H LEU A 54 8.371 13.911 11.277 1.00 0.00 H new ATOM 0 HA LEU A 54 6.804 15.090 9.200 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.871 15.431 12.238 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.542 15.902 11.198 1.00 0.00 H new ATOM 0 HG LEU A 54 6.697 13.105 11.484 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.486 12.561 12.382 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.294 13.809 13.359 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.002 14.266 12.224 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.838 12.463 9.962 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.378 14.176 9.812 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.942 13.615 9.173 1.00 0.00 H new ATOM 878 N SER A 55 8.935 16.972 10.768 1.00 0.00 N ATOM 879 CA SER A 55 9.548 18.283 10.753 1.00 0.00 C ATOM 880 C SER A 55 10.124 18.559 9.362 1.00 0.00 C ATOM 881 O SER A 55 9.856 19.593 8.757 1.00 0.00 O ATOM 882 CB SER A 55 10.656 18.335 11.795 1.00 0.00 C ATOM 883 OG SER A 55 10.170 17.813 13.024 1.00 0.00 O ATOM 0 H SER A 55 9.396 16.290 11.370 1.00 0.00 H new ATOM 0 HA SER A 55 8.801 19.041 10.987 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.517 17.758 11.457 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.995 19.362 11.931 1.00 0.00 H new ATOM 0 HG SER A 55 10.882 17.844 13.697 1.00 0.00 H new ATOM 889 N SER A 56 10.914 17.621 8.865 1.00 0.00 N ATOM 890 CA SER A 56 11.524 17.759 7.557 1.00 0.00 C ATOM 891 C SER A 56 10.694 17.034 6.493 1.00 0.00 C ATOM 892 O SER A 56 11.233 16.273 5.692 1.00 0.00 O ATOM 893 CB SER A 56 12.932 17.178 7.591 1.00 0.00 C ATOM 894 OG SER A 56 13.673 17.803 8.631 1.00 0.00 O ATOM 0 H SER A 56 11.147 16.755 9.351 1.00 0.00 H new ATOM 0 HA SER A 56 11.567 18.818 7.301 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.890 16.101 7.755 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.426 17.335 6.632 1.00 0.00 H new ATOM 0 HG SER A 56 14.579 17.430 8.657 1.00 0.00 H new ATOM 900 N GLN A 57 9.389 17.275 6.480 1.00 0.00 N ATOM 901 CA GLN A 57 8.529 16.634 5.491 1.00 0.00 C ATOM 902 C GLN A 57 8.911 17.129 4.099 1.00 0.00 C ATOM 903 O GLN A 57 9.600 16.445 3.347 1.00 0.00 O ATOM 904 CB GLN A 57 7.063 16.962 5.766 1.00 0.00 C ATOM 905 CG GLN A 57 6.602 16.234 7.021 1.00 0.00 C ATOM 906 CD GLN A 57 6.169 14.809 6.682 1.00 0.00 C ATOM 907 OE1 GLN A 57 5.191 14.586 5.971 1.00 0.00 O ATOM 908 NE2 GLN A 57 6.876 13.831 7.168 1.00 0.00 N ATOM 0 H GLN A 57 8.909 17.898 7.130 1.00 0.00 H new ATOM 0 HA GLN A 57 8.662 15.554 5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.938 18.038 5.891 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.448 16.666 4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.409 16.211 7.753 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.773 16.774 7.478 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.685 14.030 7.756 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.621 12.865 6.961 1.00 0.00 H new ATOM 917 N ARG A 58 8.472 18.332 3.774 1.00 0.00 N ATOM 918 CA ARG A 58 8.789 18.921 2.487 1.00 0.00 C ATOM 919 C ARG A 58 10.147 19.621 2.569 1.00 0.00 C ATOM 920 O ARG A 58 10.842 19.770 1.565 1.00 0.00 O ATOM 921 CB ARG A 58 7.710 19.929 2.101 1.00 0.00 C ATOM 922 CG ARG A 58 8.015 20.502 0.721 1.00 0.00 C ATOM 923 CD ARG A 58 6.980 21.566 0.372 1.00 0.00 C ATOM 924 NE ARG A 58 7.266 22.119 -0.945 1.00 0.00 N ATOM 925 CZ ARG A 58 6.539 23.111 -1.452 1.00 0.00 C ATOM 926 NH1 ARG A 58 5.544 23.621 -0.769 1.00 0.00 N ATOM 927 NH2 ARG A 58 6.821 23.582 -2.639 1.00 0.00 N ATOM 0 H ARG A 58 7.898 18.917 4.381 1.00 0.00 H new ATOM 0 HA ARG A 58 8.831 18.138 1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.732 19.447 2.098 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.667 20.731 2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.015 20.935 0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.002 19.708 -0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.980 21.132 0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.993 22.359 1.120 1.00 0.00 H new ATOM 0 HE ARG A 58 8.040 21.738 -1.490 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.322 23.258 0.158 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.991 24.382 -1.164 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.596 23.189 -3.173 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.266 24.343 -3.031 1.00 0.00 H new ATOM 941 N SER A 59 10.519 20.046 3.773 1.00 0.00 N ATOM 942 CA SER A 59 11.787 20.727 3.982 1.00 0.00 C ATOM 943 C SER A 59 12.109 20.716 5.472 1.00 0.00 C ATOM 944 O SER A 59 11.219 20.528 6.297 1.00 0.00 O ATOM 945 CB SER A 59 11.696 22.174 3.498 1.00 0.00 C ATOM 946 OG SER A 59 11.530 22.206 2.089 1.00 0.00 O ATOM 0 H SER A 59 9.958 19.929 4.617 1.00 0.00 H new ATOM 0 HA SER A 59 12.569 20.215 3.421 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.858 22.676 3.982 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.598 22.717 3.778 1.00 0.00 H new ATOM 0 HG SER A 59 11.599 21.296 1.731 1.00 0.00 H new ATOM 952 N LYS A 60 13.372 20.919 5.812 1.00 0.00 N ATOM 953 CA LYS A 60 13.774 20.929 7.209 1.00 0.00 C ATOM 954 C LYS A 60 13.203 22.166 7.905 1.00 0.00 C ATOM 955 O LYS A 60 13.900 23.163 8.098 1.00 0.00 O ATOM 956 CB LYS A 60 15.296 20.936 7.308 1.00 0.00 C ATOM 957 CG LYS A 60 15.713 20.826 8.771 1.00 0.00 C ATOM 958 CD LYS A 60 17.235 20.824 8.868 1.00 0.00 C ATOM 959 CE LYS A 60 17.657 20.692 10.329 1.00 0.00 C ATOM 960 NZ LYS A 60 17.231 21.903 11.088 1.00 0.00 N ATOM 0 H LYS A 60 14.129 21.078 5.147 1.00 0.00 H new ATOM 0 HA LYS A 60 13.388 20.035 7.698 1.00 0.00 H new ATOM 0 HB2 LYS A 60 15.712 20.106 6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.695 21.853 6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.303 21.660 9.341 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.309 19.913 9.208 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.645 19.999 8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.637 21.744 8.445 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.209 19.800 10.768 1.00 0.00 H new ATOM 0 HE3 LYS A 60 18.738 20.571 10.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.766 21.961 11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.415 22.753 10.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.214 21.841 11.298 1.00 0.00 H new ATOM 974 N ASN A 61 11.933 22.096 8.277 1.00 0.00 N ATOM 975 CA ASN A 61 11.285 23.212 8.947 1.00 0.00 C ATOM 976 C ASN A 61 11.927 23.440 10.314 1.00 0.00 C ATOM 977 O ASN A 61 11.920 22.557 11.169 1.00 0.00 O ATOM 978 CB ASN A 61 9.800 22.918 9.120 1.00 0.00 C ATOM 979 CG ASN A 61 9.111 22.880 7.753 1.00 0.00 C ATOM 980 OD1 ASN A 61 8.885 23.912 7.123 1.00 0.00 O ATOM 981 ND2 ASN A 61 8.784 21.717 7.262 1.00 0.00 N ATOM 0 H ASN A 61 11.335 21.283 8.127 1.00 0.00 H new ATOM 0 HA ASN A 61 11.405 24.110 8.341 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.667 21.964 9.630 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.340 23.682 9.747 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.336 21.657 6.347 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.976 20.867 7.793 1.00 0.00 H new ATOM 988 N SER A 62 12.483 24.626 10.511 1.00 0.00 N ATOM 989 CA SER A 62 13.122 24.950 11.775 1.00 0.00 C ATOM 990 C SER A 62 12.082 24.975 12.895 1.00 0.00 C ATOM 991 O SER A 62 12.217 24.281 13.901 1.00 0.00 O ATOM 992 CB SER A 62 13.798 26.311 11.674 1.00 0.00 C ATOM 993 OG SER A 62 14.704 26.307 10.580 1.00 0.00 O ATOM 0 H SER A 62 12.504 25.374 9.817 1.00 0.00 H new ATOM 0 HA SER A 62 13.870 24.190 12.000 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.050 27.092 11.538 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.329 26.535 12.599 1.00 0.00 H new ATOM 0 HG SER A 62 15.139 27.183 10.512 1.00 0.00 H new ATOM 999 N SER A 63 11.047 25.778 12.711 1.00 0.00 N ATOM 1000 CA SER A 63 9.997 25.884 13.709 1.00 0.00 C ATOM 1001 C SER A 63 8.728 26.454 13.071 1.00 0.00 C ATOM 1002 O SER A 63 8.247 27.465 13.554 1.00 0.00 O ATOM 1003 CB SER A 63 10.463 26.788 14.846 1.00 0.00 C ATOM 1004 OG SER A 63 11.054 27.962 14.307 1.00 0.00 O ATOM 1005 OXT SER A 63 8.261 25.867 12.109 1.00 0.00 O ATOM 0 H SER A 63 10.912 26.362 11.886 1.00 0.00 H new ATOM 0 HA SER A 63 9.776 24.894 14.107 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.619 27.053 15.483 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.183 26.261 15.472 1.00 0.00 H new ATOM 0 HG SER A 63 11.352 28.543 15.038 1.00 0.00 H new TER 1011 SER A 63 HETATM 1012 ZN ZN A 64 7.485 4.257 16.907 1.00 0.00 ZN HETATM 1013 ZN ZN A 65 8.686 6.043 19.156 1.00 0.00 ZN