USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 434 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 32 HIS HD1 : A 32 HIS ND1 : A 63 ZNZN :(H bumps) USER MOD Set 1.1: A 26 THR OG1 : rot 70:sc= 1.18 USER MOD Set 1.2: A 49 GLN : amide:sc= 0.666 K(o=1.8,f=1.1) USER MOD Single : A 1 GLY N :NH3+ 131:sc= 1.29 (180deg=0.934) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-0.94) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 9 MET CE :methyl -139:sc= -0.481 (180deg=-1.96!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.102 USER MOD Single : A 29 SER OG : rot 146:sc= 0.888 USER MOD Single : A 30 SER OG : rot 98:sc= 1.22 USER MOD Single : A 31 TYR OH : rot -30:sc= -1.52! USER MOD Single : A 34 HIS : no HD1:sc= -0.162 K(o=-0.16,f=-3!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -160:sc= 0.0184 USER MOD Single : A 55 CYS SG : rot -18:sc= 0.438 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.247 13.800 -12.976 1.00 0.00 N ATOM 2 CA GLY A 1 -6.705 13.880 -14.350 1.00 0.00 C ATOM 3 C GLY A 1 -6.099 12.562 -14.789 1.00 0.00 C ATOM 4 O GLY A 1 -6.335 11.535 -14.154 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.902 14.608 -12.419 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.286 13.822 -13.011 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.934 12.914 -12.531 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.500 14.163 -15.039 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.948 14.663 -14.398 1.00 0.00 H new ATOM 10 N PRO A 2 -5.345 12.552 -15.897 1.00 0.00 N ATOM 11 CA PRO A 2 -4.729 11.334 -16.433 1.00 0.00 C ATOM 12 C PRO A 2 -3.746 10.705 -15.449 1.00 0.00 C ATOM 13 O PRO A 2 -3.872 9.531 -15.094 1.00 0.00 O ATOM 14 CB PRO A 2 -3.997 11.818 -17.691 1.00 0.00 C ATOM 15 CG PRO A 2 -4.661 13.102 -18.047 1.00 0.00 C ATOM 16 CD PRO A 2 -5.071 13.721 -16.745 1.00 0.00 C ATOM 0 HA PRO A 2 -5.469 10.559 -16.634 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -2.934 11.962 -17.499 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -4.079 11.092 -18.500 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -3.982 13.755 -18.594 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.525 12.931 -18.689 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.281 14.346 -16.328 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.952 14.353 -16.858 1.00 0.00 H new ATOM 24 N LEU A 3 -2.788 11.498 -14.983 1.00 0.00 N ATOM 25 CA LEU A 3 -1.809 11.018 -14.020 1.00 0.00 C ATOM 26 C LEU A 3 -2.398 11.028 -12.615 1.00 0.00 C ATOM 27 O LEU A 3 -2.386 10.011 -11.919 1.00 0.00 O ATOM 28 CB LEU A 3 -0.541 11.873 -14.072 1.00 0.00 C ATOM 29 CG LEU A 3 0.767 11.090 -14.207 1.00 0.00 C ATOM 30 CD1 LEU A 3 1.866 11.977 -14.763 1.00 0.00 C ATOM 31 CD2 LEU A 3 1.180 10.506 -12.864 1.00 0.00 C ATOM 0 H LEU A 3 -2.670 12.473 -15.257 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.545 9.993 -14.279 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.621 12.563 -14.912 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.492 12.478 -13.166 1.00 0.00 H new ATOM 0 HG LEU A 3 0.605 10.268 -14.904 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.788 11.402 -14.851 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.573 12.347 -15.746 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.027 12.820 -14.092 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.112 9.953 -12.979 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.323 11.313 -12.145 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.401 9.834 -12.505 1.00 0.00 H new ATOM 43 N GLY A 4 -2.972 12.158 -12.229 1.00 0.00 N ATOM 44 CA GLY A 4 -3.610 12.258 -10.934 1.00 0.00 C ATOM 45 C GLY A 4 -4.942 11.540 -10.904 1.00 0.00 C ATOM 46 O GLY A 4 -5.948 12.069 -11.377 1.00 0.00 O ATOM 0 H GLY A 4 -3.007 13.008 -12.791 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.954 11.837 -10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.758 13.308 -10.682 1.00 0.00 H new ATOM 50 N SER A 5 -4.948 10.332 -10.369 1.00 0.00 N ATOM 51 CA SER A 5 -6.157 9.530 -10.315 1.00 0.00 C ATOM 52 C SER A 5 -6.653 9.397 -8.882 1.00 0.00 C ATOM 53 O SER A 5 -5.893 9.018 -7.987 1.00 0.00 O ATOM 54 CB SER A 5 -5.886 8.148 -10.910 1.00 0.00 C ATOM 55 OG SER A 5 -4.567 8.069 -11.434 1.00 0.00 O ATOM 0 H SER A 5 -4.126 9.884 -9.964 1.00 0.00 H new ATOM 0 HA SER A 5 -6.932 10.027 -10.898 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.023 7.385 -10.144 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.608 7.940 -11.700 1.00 0.00 H new ATOM 0 HG SER A 5 -4.416 7.176 -11.808 1.00 0.00 H new ATOM 61 N ASP A 6 -7.919 9.735 -8.662 1.00 0.00 N ATOM 62 CA ASP A 6 -8.511 9.648 -7.331 1.00 0.00 C ATOM 63 C ASP A 6 -8.580 8.196 -6.874 1.00 0.00 C ATOM 64 O ASP A 6 -9.099 7.333 -7.587 1.00 0.00 O ATOM 65 CB ASP A 6 -9.910 10.269 -7.311 1.00 0.00 C ATOM 66 CG ASP A 6 -10.650 9.981 -6.018 1.00 0.00 C ATOM 67 OD1 ASP A 6 -10.137 10.346 -4.939 1.00 0.00 O ATOM 68 OD2 ASP A 6 -11.753 9.399 -6.075 1.00 0.00 O ATOM 0 H ASP A 6 -8.554 10.071 -9.386 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.876 10.207 -6.644 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.828 11.347 -7.448 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.488 9.884 -8.151 1.00 0.00 H new ATOM 73 N HIS A 7 -8.026 7.922 -5.707 1.00 0.00 N ATOM 74 CA HIS A 7 -7.987 6.571 -5.177 1.00 0.00 C ATOM 75 C HIS A 7 -8.554 6.533 -3.767 1.00 0.00 C ATOM 76 O HIS A 7 -8.426 7.503 -3.018 1.00 0.00 O ATOM 77 CB HIS A 7 -6.550 6.044 -5.180 1.00 0.00 C ATOM 78 CG HIS A 7 -6.364 4.791 -5.982 1.00 0.00 C ATOM 79 ND1 HIS A 7 -5.113 4.298 -6.261 1.00 0.00 N ATOM 80 CD2 HIS A 7 -7.294 3.971 -6.529 1.00 0.00 C ATOM 81 CE1 HIS A 7 -5.307 3.196 -6.964 1.00 0.00 C ATOM 82 NE2 HIS A 7 -6.613 2.956 -7.151 1.00 0.00 N ATOM 0 H HIS A 7 -7.594 8.622 -5.104 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.600 5.933 -5.814 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -5.891 6.817 -5.574 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -6.241 5.855 -4.152 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -8.366 4.093 -6.484 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.513 2.568 -7.341 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -7.021 2.170 -7.658 1.00 0.00 H new ATOM 90 N HIS A 8 -9.202 5.422 -3.421 1.00 0.00 N ATOM 91 CA HIS A 8 -9.804 5.253 -2.100 1.00 0.00 C ATOM 92 C HIS A 8 -8.748 5.390 -1.008 1.00 0.00 C ATOM 93 O HIS A 8 -8.984 6.009 0.031 1.00 0.00 O ATOM 94 CB HIS A 8 -10.482 3.887 -1.994 1.00 0.00 C ATOM 95 CG HIS A 8 -11.761 3.790 -2.769 1.00 0.00 C ATOM 96 ND1 HIS A 8 -11.802 3.208 -4.013 1.00 0.00 N ATOM 97 CD2 HIS A 8 -13.000 4.220 -2.439 1.00 0.00 C ATOM 98 CE1 HIS A 8 -13.060 3.299 -4.411 1.00 0.00 C ATOM 99 NE2 HIS A 8 -13.821 3.905 -3.488 1.00 0.00 N ATOM 0 H HIS A 8 -9.324 4.621 -4.041 1.00 0.00 H new ATOM 0 HA HIS A 8 -10.553 6.033 -1.966 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -9.793 3.120 -2.349 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -10.685 3.672 -0.945 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.287 4.717 -1.524 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -13.427 2.932 -5.358 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -14.821 4.095 -3.555 1.00 0.00 H new ATOM 107 N MET A 9 -7.556 4.892 -1.293 1.00 0.00 N ATOM 108 CA MET A 9 -6.428 5.039 -0.390 1.00 0.00 C ATOM 109 C MET A 9 -5.236 5.594 -1.151 1.00 0.00 C ATOM 110 O MET A 9 -4.302 4.866 -1.472 1.00 0.00 O ATOM 111 CB MET A 9 -6.063 3.694 0.246 1.00 0.00 C ATOM 112 CG MET A 9 -6.520 3.548 1.685 1.00 0.00 C ATOM 113 SD MET A 9 -6.873 1.833 2.123 1.00 0.00 S ATOM 114 CE MET A 9 -8.110 1.416 0.893 1.00 0.00 C ATOM 0 H MET A 9 -7.345 4.379 -2.149 1.00 0.00 H new ATOM 0 HA MET A 9 -6.705 5.730 0.406 1.00 0.00 H new ATOM 0 HB2 MET A 9 -6.502 2.892 -0.347 1.00 0.00 H new ATOM 0 HB3 MET A 9 -4.981 3.566 0.204 1.00 0.00 H new ATOM 0 HG2 MET A 9 -5.750 3.939 2.350 1.00 0.00 H new ATOM 0 HG3 MET A 9 -7.414 4.152 1.843 1.00 0.00 H new ATOM 0 HE1 MET A 9 -8.898 0.823 1.356 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.538 2.331 0.483 1.00 0.00 H new ATOM 0 HE3 MET A 9 -7.647 0.841 0.091 1.00 0.00 H new ATOM 124 N GLU A 10 -5.303 6.876 -1.489 1.00 0.00 N ATOM 125 CA GLU A 10 -4.245 7.524 -2.264 1.00 0.00 C ATOM 126 C GLU A 10 -3.037 7.836 -1.387 1.00 0.00 C ATOM 127 O GLU A 10 -2.081 8.473 -1.829 1.00 0.00 O ATOM 128 CB GLU A 10 -4.764 8.813 -2.912 1.00 0.00 C ATOM 129 CG GLU A 10 -5.426 9.768 -1.929 1.00 0.00 C ATOM 130 CD GLU A 10 -4.564 10.969 -1.587 1.00 0.00 C ATOM 131 OE1 GLU A 10 -3.692 11.343 -2.399 1.00 0.00 O ATOM 132 OE2 GLU A 10 -4.758 11.553 -0.502 1.00 0.00 O ATOM 0 H GLU A 10 -6.078 7.490 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.935 6.832 -3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.934 9.324 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.480 8.554 -3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.370 10.115 -2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.665 9.228 -1.013 1.00 0.00 H new ATOM 139 N PHE A 11 -3.093 7.392 -0.145 1.00 0.00 N ATOM 140 CA PHE A 11 -2.026 7.623 0.804 1.00 0.00 C ATOM 141 C PHE A 11 -1.754 6.356 1.603 1.00 0.00 C ATOM 142 O PHE A 11 -2.587 5.447 1.635 1.00 0.00 O ATOM 143 CB PHE A 11 -2.399 8.783 1.738 1.00 0.00 C ATOM 144 CG PHE A 11 -3.446 8.437 2.770 1.00 0.00 C ATOM 145 CD1 PHE A 11 -4.725 8.056 2.389 1.00 0.00 C ATOM 146 CD2 PHE A 11 -3.143 8.490 4.119 1.00 0.00 C ATOM 147 CE1 PHE A 11 -5.679 7.735 3.336 1.00 0.00 C ATOM 148 CE2 PHE A 11 -4.095 8.167 5.070 1.00 0.00 C ATOM 149 CZ PHE A 11 -5.364 7.789 4.678 1.00 0.00 C ATOM 0 H PHE A 11 -3.879 6.862 0.231 1.00 0.00 H new ATOM 0 HA PHE A 11 -1.118 7.891 0.264 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.500 9.125 2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.760 9.617 1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.978 8.010 1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.153 8.787 4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.671 7.442 3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.845 8.211 6.120 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.107 7.536 5.420 1.00 0.00 H new ATOM 159 N CYS A 12 -0.590 6.297 2.233 1.00 0.00 N ATOM 160 CA CYS A 12 -0.213 5.147 3.040 1.00 0.00 C ATOM 161 C CYS A 12 -1.139 5.008 4.234 1.00 0.00 C ATOM 162 O CYS A 12 -1.383 5.973 4.955 1.00 0.00 O ATOM 163 CB CYS A 12 1.217 5.280 3.542 1.00 0.00 C ATOM 164 SG CYS A 12 2.471 4.722 2.380 1.00 0.00 S ATOM 0 H CYS A 12 0.112 7.036 2.200 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.292 4.263 2.408 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.407 6.325 3.787 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.318 4.712 4.467 1.00 0.00 H new ATOM 170 N ARG A 13 -1.642 3.804 4.444 1.00 0.00 N ATOM 171 CA ARG A 13 -2.544 3.541 5.563 1.00 0.00 C ATOM 172 C ARG A 13 -1.875 3.840 6.914 1.00 0.00 C ATOM 173 O ARG A 13 -2.547 4.205 7.879 1.00 0.00 O ATOM 174 CB ARG A 13 -3.030 2.091 5.526 1.00 0.00 C ATOM 175 CG ARG A 13 -4.383 1.928 4.857 1.00 0.00 C ATOM 176 CD ARG A 13 -4.898 0.503 4.979 1.00 0.00 C ATOM 177 NE ARG A 13 -5.791 0.333 6.124 1.00 0.00 N ATOM 178 CZ ARG A 13 -7.119 0.426 6.061 1.00 0.00 C ATOM 179 NH1 ARG A 13 -7.717 0.696 4.905 1.00 0.00 N ATOM 180 NH2 ARG A 13 -7.840 0.247 7.156 1.00 0.00 N ATOM 0 H ARG A 13 -1.445 2.992 3.859 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.400 4.208 5.459 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.296 1.482 4.998 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.088 1.708 6.545 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.099 2.614 5.310 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.304 2.198 3.804 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.426 0.230 4.065 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.054 -0.179 5.075 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.370 0.130 7.031 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.159 0.833 4.062 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.734 0.766 4.861 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.379 0.039 8.042 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.857 0.317 7.114 1.00 0.00 H new ATOM 194 N VAL A 14 -0.555 3.685 6.980 1.00 0.00 N ATOM 195 CA VAL A 14 0.183 3.918 8.225 1.00 0.00 C ATOM 196 C VAL A 14 0.931 5.252 8.182 1.00 0.00 C ATOM 197 O VAL A 14 0.644 6.176 8.945 1.00 0.00 O ATOM 198 CB VAL A 14 1.210 2.796 8.496 1.00 0.00 C ATOM 199 CG1 VAL A 14 1.385 2.576 9.991 1.00 0.00 C ATOM 200 CG2 VAL A 14 0.814 1.502 7.797 1.00 0.00 C ATOM 0 H VAL A 14 0.026 3.400 6.191 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.558 3.933 9.025 1.00 0.00 H new ATOM 0 HB VAL A 14 2.168 3.113 8.084 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.112 1.782 10.159 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.739 3.496 10.455 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.429 2.292 10.431 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.557 0.733 8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.160 1.175 8.161 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.761 1.671 6.721 1.00 0.00 H new ATOM 210 N CYS A 15 1.916 5.313 7.300 1.00 0.00 N ATOM 211 CA CYS A 15 2.798 6.464 7.132 1.00 0.00 C ATOM 212 C CYS A 15 2.187 7.627 6.343 1.00 0.00 C ATOM 213 O CYS A 15 2.778 8.704 6.285 1.00 0.00 O ATOM 214 CB CYS A 15 4.078 5.914 6.521 1.00 0.00 C ATOM 215 SG CYS A 15 3.815 4.218 5.898 1.00 0.00 S ATOM 0 H CYS A 15 2.132 4.546 6.664 1.00 0.00 H new ATOM 0 HA CYS A 15 2.992 6.934 8.096 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.405 6.560 5.706 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.873 5.914 7.267 1.00 0.00 H new ATOM 220 N LYS A 16 0.908 7.482 5.998 1.00 0.00 N ATOM 221 CA LYS A 16 0.073 8.591 5.503 1.00 0.00 C ATOM 222 C LYS A 16 0.697 9.409 4.368 1.00 0.00 C ATOM 223 O LYS A 16 0.229 10.510 4.075 1.00 0.00 O ATOM 224 CB LYS A 16 -0.275 9.531 6.659 1.00 0.00 C ATOM 225 CG LYS A 16 -1.458 9.063 7.489 1.00 0.00 C ATOM 226 CD LYS A 16 -2.431 10.195 7.759 1.00 0.00 C ATOM 227 CE LYS A 16 -2.239 10.772 9.148 1.00 0.00 C ATOM 228 NZ LYS A 16 -1.879 12.211 9.108 1.00 0.00 N ATOM 0 H LYS A 16 0.414 6.591 6.052 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.816 8.119 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.595 9.633 7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.492 10.521 6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.973 8.256 6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.101 8.655 8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.293 10.980 7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.453 9.831 7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.156 10.644 9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.457 10.217 9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.757 12.565 10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.991 12.332 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.637 12.745 8.637 1.00 0.00 H new ATOM 242 N ASP A 17 1.713 8.883 3.714 1.00 0.00 N ATOM 243 CA ASP A 17 2.340 9.594 2.605 1.00 0.00 C ATOM 244 C ASP A 17 1.558 9.364 1.324 1.00 0.00 C ATOM 245 O ASP A 17 0.841 8.374 1.203 1.00 0.00 O ATOM 246 CB ASP A 17 3.789 9.147 2.419 1.00 0.00 C ATOM 247 CG ASP A 17 3.919 7.650 2.310 1.00 0.00 C ATOM 248 OD1 ASP A 17 3.696 6.958 3.323 1.00 0.00 O ATOM 249 OD2 ASP A 17 4.264 7.153 1.220 1.00 0.00 O ATOM 0 H ASP A 17 2.123 7.973 3.925 1.00 0.00 H new ATOM 0 HA ASP A 17 2.336 10.658 2.840 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.197 9.611 1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.386 9.501 3.260 1.00 0.00 H new ATOM 254 N GLY A 18 1.674 10.291 0.388 1.00 0.00 N ATOM 255 CA GLY A 18 0.946 10.177 -0.859 1.00 0.00 C ATOM 256 C GLY A 18 1.814 10.485 -2.061 1.00 0.00 C ATOM 257 O GLY A 18 3.043 10.510 -1.955 1.00 0.00 O ATOM 0 H GLY A 18 2.260 11.122 0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.545 9.168 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.095 10.858 -0.844 1.00 0.00 H new ATOM 261 N GLY A 19 1.177 10.708 -3.204 1.00 0.00 N ATOM 262 CA GLY A 19 1.906 11.014 -4.417 1.00 0.00 C ATOM 263 C GLY A 19 2.219 9.781 -5.239 1.00 0.00 C ATOM 264 O GLY A 19 1.318 9.112 -5.747 1.00 0.00 O ATOM 0 H GLY A 19 0.163 10.682 -3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.323 11.709 -5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.837 11.519 -4.159 1.00 0.00 H new ATOM 268 N GLU A 20 3.494 9.446 -5.322 1.00 0.00 N ATOM 269 CA GLU A 20 3.926 8.254 -6.029 1.00 0.00 C ATOM 270 C GLU A 20 4.132 7.118 -5.043 1.00 0.00 C ATOM 271 O GLU A 20 5.098 7.118 -4.276 1.00 0.00 O ATOM 272 CB GLU A 20 5.222 8.526 -6.794 1.00 0.00 C ATOM 273 CG GLU A 20 5.013 9.259 -8.109 1.00 0.00 C ATOM 274 CD GLU A 20 5.378 10.725 -8.029 1.00 0.00 C ATOM 275 OE1 GLU A 20 6.586 11.045 -8.063 1.00 0.00 O ATOM 276 OE2 GLU A 20 4.461 11.566 -7.937 1.00 0.00 O ATOM 0 H GLU A 20 4.252 9.986 -4.906 1.00 0.00 H new ATOM 0 HA GLU A 20 3.154 7.972 -6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.889 9.113 -6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.722 7.578 -6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.612 8.782 -8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.970 9.165 -8.410 1.00 0.00 H new ATOM 283 N LEU A 21 3.202 6.179 -5.017 1.00 0.00 N ATOM 284 CA LEU A 21 3.266 5.081 -4.068 1.00 0.00 C ATOM 285 C LEU A 21 3.280 3.736 -4.774 1.00 0.00 C ATOM 286 O LEU A 21 2.999 3.641 -5.971 1.00 0.00 O ATOM 287 CB LEU A 21 2.069 5.129 -3.118 1.00 0.00 C ATOM 288 CG LEU A 21 1.862 6.450 -2.384 1.00 0.00 C ATOM 289 CD1 LEU A 21 0.624 7.159 -2.905 1.00 0.00 C ATOM 290 CD2 LEU A 21 1.744 6.204 -0.891 1.00 0.00 C ATOM 0 H LEU A 21 2.395 6.155 -5.641 1.00 0.00 H new ATOM 0 HA LEU A 21 4.193 5.192 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.167 4.905 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.183 4.337 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 21 2.725 7.090 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.491 8.100 -2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.741 7.360 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.250 6.527 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.596 7.153 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.894 5.550 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.656 5.732 -0.527 1.00 0.00 H new ATOM 302 N LEU A 22 3.460 2.692 -3.987 1.00 0.00 N ATOM 303 CA LEU A 22 3.329 1.335 -4.469 1.00 0.00 C ATOM 304 C LEU A 22 1.981 0.787 -4.024 1.00 0.00 C ATOM 305 O LEU A 22 1.738 0.621 -2.827 1.00 0.00 O ATOM 306 CB LEU A 22 4.471 0.471 -3.933 1.00 0.00 C ATOM 307 CG LEU A 22 4.404 -1.008 -4.302 1.00 0.00 C ATOM 308 CD1 LEU A 22 4.904 -1.227 -5.722 1.00 0.00 C ATOM 309 CD2 LEU A 22 5.211 -1.833 -3.311 1.00 0.00 C ATOM 0 H LEU A 22 3.701 2.763 -2.998 1.00 0.00 H new ATOM 0 HA LEU A 22 3.383 1.320 -5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.414 0.877 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.489 0.556 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 22 3.365 -1.334 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.849 -2.288 -5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.284 -0.661 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.938 -0.890 -5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.156 -2.887 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.251 -1.508 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.805 -1.697 -2.309 1.00 0.00 H new ATOM 321 N CYS A 23 1.051 0.713 -4.958 1.00 0.00 N ATOM 322 CA CYS A 23 -0.326 0.374 -4.634 1.00 0.00 C ATOM 323 C CYS A 23 -0.649 -1.061 -5.035 1.00 0.00 C ATOM 324 O CYS A 23 0.075 -1.668 -5.827 1.00 0.00 O ATOM 325 CB CYS A 23 -1.271 1.348 -5.340 1.00 0.00 C ATOM 326 SG CYS A 23 -0.433 2.510 -6.446 1.00 0.00 S ATOM 0 H CYS A 23 1.223 0.883 -5.949 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.459 0.455 -3.555 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.002 0.778 -5.914 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.824 1.911 -4.589 1.00 0.00 H new ATOM 0 HG CYS A 23 -1.311 3.292 -7.000 1.00 0.00 H new ATOM 332 N CYS A 24 -1.746 -1.590 -4.496 1.00 0.00 N ATOM 333 CA CYS A 24 -2.193 -2.938 -4.818 1.00 0.00 C ATOM 334 C CYS A 24 -2.688 -3.009 -6.265 1.00 0.00 C ATOM 335 O CYS A 24 -2.680 -2.013 -6.995 1.00 0.00 O ATOM 336 CB CYS A 24 -3.311 -3.371 -3.854 1.00 0.00 C ATOM 337 SG CYS A 24 -3.772 -5.135 -3.973 1.00 0.00 S ATOM 0 H CYS A 24 -2.343 -1.099 -3.830 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.348 -3.618 -4.707 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.995 -3.159 -2.833 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.195 -2.763 -4.047 1.00 0.00 H new ATOM 342 N ASP A 25 -3.182 -4.172 -6.645 1.00 0.00 N ATOM 343 CA ASP A 25 -3.755 -4.368 -7.968 1.00 0.00 C ATOM 344 C ASP A 25 -5.263 -4.519 -7.870 1.00 0.00 C ATOM 345 O ASP A 25 -6.010 -3.981 -8.686 1.00 0.00 O ATOM 346 CB ASP A 25 -3.159 -5.607 -8.640 1.00 0.00 C ATOM 347 CG ASP A 25 -3.425 -5.634 -10.133 1.00 0.00 C ATOM 348 OD1 ASP A 25 -2.767 -4.874 -10.875 1.00 0.00 O ATOM 349 OD2 ASP A 25 -4.293 -6.418 -10.575 1.00 0.00 O ATOM 0 H ASP A 25 -3.199 -5.002 -6.053 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.518 -3.493 -8.573 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.084 -5.632 -8.464 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.578 -6.503 -8.182 1.00 0.00 H new ATOM 354 N THR A 26 -5.707 -5.252 -6.864 1.00 0.00 N ATOM 355 CA THR A 26 -7.124 -5.508 -6.683 1.00 0.00 C ATOM 356 C THR A 26 -7.764 -4.471 -5.769 1.00 0.00 C ATOM 357 O THR A 26 -8.965 -4.204 -5.860 1.00 0.00 O ATOM 358 CB THR A 26 -7.344 -6.915 -6.103 1.00 0.00 C ATOM 359 OG1 THR A 26 -6.356 -7.187 -5.095 1.00 0.00 O ATOM 360 CG2 THR A 26 -7.248 -7.964 -7.196 1.00 0.00 C ATOM 0 H THR A 26 -5.106 -5.680 -6.160 1.00 0.00 H new ATOM 0 HA THR A 26 -7.598 -5.442 -7.662 1.00 0.00 H new ATOM 0 HB THR A 26 -8.340 -6.954 -5.662 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.530 -6.630 -4.308 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.406 -8.953 -6.766 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.008 -7.771 -7.953 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.260 -7.922 -7.655 1.00 0.00 H new ATOM 368 N CYS A 27 -6.964 -3.895 -4.888 1.00 0.00 N ATOM 369 CA CYS A 27 -7.454 -2.902 -3.952 1.00 0.00 C ATOM 370 C CYS A 27 -6.728 -1.573 -4.153 1.00 0.00 C ATOM 371 O CYS A 27 -5.666 -1.529 -4.774 1.00 0.00 O ATOM 372 CB CYS A 27 -7.269 -3.420 -2.526 1.00 0.00 C ATOM 373 SG CYS A 27 -7.133 -5.235 -2.427 1.00 0.00 S ATOM 0 H CYS A 27 -5.969 -4.100 -4.803 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.515 -2.727 -4.129 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.372 -2.972 -2.098 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -8.111 -3.092 -1.916 1.00 0.00 H new ATOM 378 N PRO A 28 -7.356 -0.458 -3.756 1.00 0.00 N ATOM 379 CA PRO A 28 -6.817 0.881 -3.981 1.00 0.00 C ATOM 380 C PRO A 28 -5.865 1.321 -2.874 1.00 0.00 C ATOM 381 O PRO A 28 -5.731 2.514 -2.600 1.00 0.00 O ATOM 382 CB PRO A 28 -8.068 1.780 -3.987 1.00 0.00 C ATOM 383 CG PRO A 28 -9.238 0.871 -3.782 1.00 0.00 C ATOM 384 CD PRO A 28 -8.697 -0.391 -3.179 1.00 0.00 C ATOM 0 HA PRO A 28 -6.233 0.928 -4.900 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.013 2.528 -3.196 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.155 2.319 -4.930 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.975 1.330 -3.124 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.739 0.665 -4.728 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.670 -0.343 -2.090 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.299 -1.260 -3.445 1.00 0.00 H new ATOM 392 N SER A 29 -5.247 0.351 -2.212 1.00 0.00 N ATOM 393 CA SER A 29 -4.339 0.624 -1.108 1.00 0.00 C ATOM 394 C SER A 29 -2.969 1.051 -1.622 1.00 0.00 C ATOM 395 O SER A 29 -2.390 0.380 -2.475 1.00 0.00 O ATOM 396 CB SER A 29 -4.209 -0.631 -0.246 1.00 0.00 C ATOM 397 OG SER A 29 -4.987 -1.695 -0.784 1.00 0.00 O ATOM 0 H SER A 29 -5.361 -0.640 -2.424 1.00 0.00 H new ATOM 0 HA SER A 29 -4.743 1.442 -0.511 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.163 -0.932 -0.189 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.535 -0.414 0.771 1.00 0.00 H new ATOM 0 HG SER A 29 -4.532 -2.548 -0.622 1.00 0.00 H new ATOM 403 N SER A 30 -2.452 2.160 -1.103 1.00 0.00 N ATOM 404 CA SER A 30 -1.142 2.651 -1.515 1.00 0.00 C ATOM 405 C SER A 30 -0.170 2.695 -0.343 1.00 0.00 C ATOM 406 O SER A 30 -0.559 2.993 0.789 1.00 0.00 O ATOM 407 CB SER A 30 -1.269 4.040 -2.147 1.00 0.00 C ATOM 408 OG SER A 30 -2.321 4.080 -3.099 1.00 0.00 O ATOM 0 H SER A 30 -2.918 2.733 -0.400 1.00 0.00 H new ATOM 0 HA SER A 30 -0.745 1.957 -2.255 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.452 4.781 -1.368 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.329 4.310 -2.629 1.00 0.00 H new ATOM 0 HG SER A 30 -3.122 4.463 -2.685 1.00 0.00 H new ATOM 414 N TYR A 31 1.077 2.314 -0.608 1.00 0.00 N ATOM 415 CA TYR A 31 2.098 2.249 0.428 1.00 0.00 C ATOM 416 C TYR A 31 3.458 2.721 -0.105 1.00 0.00 C ATOM 417 O TYR A 31 3.605 3.013 -1.289 1.00 0.00 O ATOM 418 CB TYR A 31 2.224 0.811 0.954 1.00 0.00 C ATOM 419 CG TYR A 31 0.983 0.281 1.647 1.00 0.00 C ATOM 420 CD1 TYR A 31 0.705 0.602 2.972 1.00 0.00 C ATOM 421 CD2 TYR A 31 0.095 -0.548 0.973 1.00 0.00 C ATOM 422 CE1 TYR A 31 -0.422 0.110 3.604 1.00 0.00 C ATOM 423 CE2 TYR A 31 -1.034 -1.042 1.600 1.00 0.00 C ATOM 424 CZ TYR A 31 -1.288 -0.709 2.914 1.00 0.00 C ATOM 425 OH TYR A 31 -2.412 -1.197 3.541 1.00 0.00 O ATOM 0 H TYR A 31 1.403 2.045 -1.536 1.00 0.00 H new ATOM 0 HA TYR A 31 1.796 2.911 1.240 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.467 0.153 0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.061 0.765 1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.380 1.246 3.516 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.289 -0.811 -0.056 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.622 0.367 4.634 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.714 -1.686 1.063 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.234 -1.298 4.499 1.00 0.00 H new ATOM 435 N HIS A 32 4.475 2.587 0.741 1.00 0.00 N ATOM 436 CA HIS A 32 5.869 2.744 0.341 1.00 0.00 C ATOM 437 C HIS A 32 6.312 1.417 -0.276 1.00 0.00 C ATOM 438 O HIS A 32 5.599 0.834 -1.086 1.00 0.00 O ATOM 439 CB HIS A 32 6.769 3.016 1.569 1.00 0.00 C ATOM 440 CG HIS A 32 6.840 4.422 2.099 1.00 0.00 C ATOM 441 ND1 HIS A 32 5.938 4.899 3.026 1.00 0.00 N ATOM 442 CD2 HIS A 32 7.832 5.333 1.949 1.00 0.00 C ATOM 443 CE1 HIS A 32 6.405 6.067 3.429 1.00 0.00 C ATOM 444 NE2 HIS A 32 7.555 6.372 2.801 1.00 0.00 N ATOM 0 H HIS A 32 4.354 2.365 1.729 1.00 0.00 H new ATOM 0 HA HIS A 32 5.957 3.580 -0.353 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.430 2.371 2.380 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.782 2.704 1.315 1.00 0.00 H new ATOM 0 HD2 HIS A 32 8.680 5.256 1.285 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.926 6.695 4.166 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.114 7.215 2.933 1.00 0.00 H new ATOM 452 N ILE A 33 7.366 0.839 0.288 1.00 0.00 N ATOM 453 CA ILE A 33 7.762 -0.523 -0.031 1.00 0.00 C ATOM 454 C ILE A 33 8.070 -1.295 1.254 1.00 0.00 C ATOM 455 O ILE A 33 8.752 -2.320 1.224 1.00 0.00 O ATOM 456 CB ILE A 33 9.000 -0.551 -0.952 1.00 0.00 C ATOM 457 CG1 ILE A 33 10.179 0.177 -0.298 1.00 0.00 C ATOM 458 CG2 ILE A 33 8.669 0.082 -2.292 1.00 0.00 C ATOM 459 CD1 ILE A 33 11.523 -0.448 -0.601 1.00 0.00 C ATOM 0 H ILE A 33 7.965 1.299 0.974 1.00 0.00 H new ATOM 0 HA ILE A 33 6.931 -0.994 -0.556 1.00 0.00 H new ATOM 0 HB ILE A 33 9.286 -1.590 -1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.186 1.214 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.031 0.193 0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.550 0.057 -2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.859 -0.472 -2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.361 1.116 -2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.309 0.121 -0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.536 -1.476 -0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.694 -0.440 -1.678 1.00 0.00 H new ATOM 470 N HIS A 34 7.659 -0.736 2.397 1.00 0.00 N ATOM 471 CA HIS A 34 8.040 -1.295 3.696 1.00 0.00 C ATOM 472 C HIS A 34 7.028 -0.962 4.800 1.00 0.00 C ATOM 473 O HIS A 34 7.351 -1.042 5.985 1.00 0.00 O ATOM 474 CB HIS A 34 9.425 -0.764 4.098 1.00 0.00 C ATOM 475 CG HIS A 34 9.509 0.738 4.143 1.00 0.00 C ATOM 476 ND1 HIS A 34 9.754 1.483 3.011 1.00 0.00 N ATOM 477 CD2 HIS A 34 9.356 1.575 5.197 1.00 0.00 C ATOM 478 CE1 HIS A 34 9.742 2.745 3.401 1.00 0.00 C ATOM 479 NE2 HIS A 34 9.503 2.849 4.714 1.00 0.00 N ATOM 0 H HIS A 34 7.069 0.094 2.449 1.00 0.00 H new ATOM 0 HA HIS A 34 8.061 -2.379 3.588 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.687 -1.163 5.078 1.00 0.00 H new ATOM 0 HB3 HIS A 34 10.167 -1.139 3.393 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.157 1.293 6.220 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.904 3.586 2.744 1.00 0.00 H new ATOM 0 HE2 HIS A 34 9.442 3.713 5.253 1.00 0.00 H new ATOM 487 N CYS A 35 5.840 -0.507 4.421 1.00 0.00 N ATOM 488 CA CYS A 35 4.847 -0.083 5.402 1.00 0.00 C ATOM 489 C CYS A 35 4.147 -1.292 6.009 1.00 0.00 C ATOM 490 O CYS A 35 3.618 -1.231 7.119 1.00 0.00 O ATOM 491 CB CYS A 35 3.829 0.812 4.715 1.00 0.00 C ATOM 492 SG CYS A 35 4.534 1.696 3.299 1.00 0.00 S ATOM 0 H CYS A 35 5.542 -0.422 3.449 1.00 0.00 H new ATOM 0 HA CYS A 35 5.343 0.464 6.204 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.985 0.208 4.380 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.440 1.533 5.433 1.00 0.00 H new ATOM 497 N LEU A 36 4.128 -2.374 5.249 1.00 0.00 N ATOM 498 CA LEU A 36 3.469 -3.603 5.662 1.00 0.00 C ATOM 499 C LEU A 36 4.469 -4.560 6.299 1.00 0.00 C ATOM 500 O LEU A 36 5.662 -4.261 6.376 1.00 0.00 O ATOM 501 CB LEU A 36 2.800 -4.271 4.459 1.00 0.00 C ATOM 502 CG LEU A 36 3.438 -3.964 3.102 1.00 0.00 C ATOM 503 CD1 LEU A 36 3.537 -5.227 2.260 1.00 0.00 C ATOM 504 CD2 LEU A 36 2.643 -2.897 2.370 1.00 0.00 C ATOM 0 H LEU A 36 4.568 -2.426 4.330 1.00 0.00 H new ATOM 0 HA LEU A 36 2.707 -3.354 6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.811 -5.350 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.755 -3.964 4.428 1.00 0.00 H new ATOM 0 HG LEU A 36 4.446 -3.586 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.993 -4.989 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.150 -5.964 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.539 -5.635 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.111 -2.691 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.624 -3.248 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.623 -1.985 2.966 1.00 0.00 H new ATOM 516 N ARG A 37 3.976 -5.712 6.737 1.00 0.00 N ATOM 517 CA ARG A 37 4.819 -6.731 7.352 1.00 0.00 C ATOM 518 C ARG A 37 5.857 -7.273 6.359 1.00 0.00 C ATOM 519 O ARG A 37 7.056 -7.239 6.647 1.00 0.00 O ATOM 520 CB ARG A 37 3.957 -7.871 7.908 1.00 0.00 C ATOM 521 CG ARG A 37 4.704 -8.805 8.837 1.00 0.00 C ATOM 522 CD ARG A 37 3.761 -9.472 9.819 1.00 0.00 C ATOM 523 NE ARG A 37 4.428 -9.814 11.071 1.00 0.00 N ATOM 524 CZ ARG A 37 3.781 -10.206 12.168 1.00 0.00 C ATOM 525 NH1 ARG A 37 2.455 -10.267 12.171 1.00 0.00 N ATOM 526 NH2 ARG A 37 4.461 -10.523 13.263 1.00 0.00 N ATOM 0 H ARG A 37 2.990 -5.965 6.677 1.00 0.00 H new ATOM 0 HA ARG A 37 5.361 -6.267 8.176 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.108 -7.445 8.442 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.553 -8.448 7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.222 -9.565 8.253 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.466 -8.248 9.382 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.922 -8.807 10.025 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.349 -10.375 9.369 1.00 0.00 H new ATOM 0 HE ARG A 37 5.445 -9.749 11.109 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.931 -10.014 11.333 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.960 -10.567 13.011 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.479 -10.467 13.265 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.965 -10.823 14.102 1.00 0.00 H new ATOM 540 N PRO A 38 5.436 -7.765 5.168 1.00 0.00 N ATOM 541 CA PRO A 38 6.367 -8.258 4.153 1.00 0.00 C ATOM 542 C PRO A 38 7.072 -7.108 3.431 1.00 0.00 C ATOM 543 O PRO A 38 6.780 -6.814 2.271 1.00 0.00 O ATOM 544 CB PRO A 38 5.475 -9.045 3.174 1.00 0.00 C ATOM 545 CG PRO A 38 4.115 -9.078 3.795 1.00 0.00 C ATOM 546 CD PRO A 38 4.045 -7.893 4.710 1.00 0.00 C ATOM 0 HA PRO A 38 7.161 -8.866 4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.447 -8.562 2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.859 -10.054 3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.338 -9.028 3.033 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.961 -10.005 4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.705 -6.998 4.190 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.358 -8.060 5.540 1.00 0.00 H new ATOM 554 N ALA A 39 7.954 -6.423 4.150 1.00 0.00 N ATOM 555 CA ALA A 39 8.675 -5.280 3.610 1.00 0.00 C ATOM 556 C ALA A 39 9.669 -5.726 2.545 1.00 0.00 C ATOM 557 O ALA A 39 10.257 -6.805 2.643 1.00 0.00 O ATOM 558 CB ALA A 39 9.391 -4.534 4.727 1.00 0.00 C ATOM 0 H ALA A 39 8.187 -6.644 5.118 1.00 0.00 H new ATOM 0 HA ALA A 39 7.956 -4.606 3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.927 -3.681 4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.661 -4.183 5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.099 -5.203 5.216 1.00 0.00 H new ATOM 564 N LEU A 40 9.839 -4.901 1.526 1.00 0.00 N ATOM 565 CA LEU A 40 10.741 -5.214 0.431 1.00 0.00 C ATOM 566 C LEU A 40 11.981 -4.332 0.497 1.00 0.00 C ATOM 567 O LEU A 40 11.994 -3.317 1.196 1.00 0.00 O ATOM 568 CB LEU A 40 10.026 -5.024 -0.910 1.00 0.00 C ATOM 569 CG LEU A 40 8.656 -5.702 -1.022 1.00 0.00 C ATOM 570 CD1 LEU A 40 7.559 -4.663 -1.210 1.00 0.00 C ATOM 571 CD2 LEU A 40 8.651 -6.704 -2.168 1.00 0.00 C ATOM 0 H LEU A 40 9.361 -4.004 1.434 1.00 0.00 H new ATOM 0 HA LEU A 40 11.051 -6.255 0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.900 -3.956 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.668 -5.406 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 40 8.460 -6.241 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.594 -5.163 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.549 -3.986 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.748 -4.095 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.671 -7.177 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.869 -6.188 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.410 -7.466 -1.989 1.00 0.00 H new ATOM 583 N TYR A 41 13.014 -4.713 -0.238 1.00 0.00 N ATOM 584 CA TYR A 41 14.245 -3.940 -0.279 1.00 0.00 C ATOM 585 C TYR A 41 14.218 -2.970 -1.449 1.00 0.00 C ATOM 586 O TYR A 41 14.896 -1.944 -1.437 1.00 0.00 O ATOM 587 CB TYR A 41 15.459 -4.864 -0.394 1.00 0.00 C ATOM 588 CG TYR A 41 15.604 -5.827 0.764 1.00 0.00 C ATOM 589 CD1 TYR A 41 15.788 -5.364 2.060 1.00 0.00 C ATOM 590 CD2 TYR A 41 15.563 -7.200 0.557 1.00 0.00 C ATOM 591 CE1 TYR A 41 15.923 -6.243 3.120 1.00 0.00 C ATOM 592 CE2 TYR A 41 15.696 -8.084 1.609 1.00 0.00 C ATOM 593 CZ TYR A 41 15.876 -7.603 2.889 1.00 0.00 C ATOM 594 OH TYR A 41 16.008 -8.487 3.941 1.00 0.00 O ATOM 0 H TYR A 41 13.024 -5.554 -0.815 1.00 0.00 H new ATOM 0 HA TYR A 41 14.326 -3.375 0.649 1.00 0.00 H new ATOM 0 HB2 TYR A 41 15.385 -5.433 -1.321 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.361 -4.256 -0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 41 15.826 -4.300 2.244 1.00 0.00 H new ATOM 0 HD2 TYR A 41 15.425 -7.582 -0.444 1.00 0.00 H new ATOM 0 HE1 TYR A 41 16.064 -5.867 4.123 1.00 0.00 H new ATOM 0 HE2 TYR A 41 15.659 -9.148 1.430 1.00 0.00 H new ATOM 0 HH TYR A 41 15.951 -9.406 3.605 1.00 0.00 H new ATOM 604 N GLU A 42 13.392 -3.282 -2.437 1.00 0.00 N ATOM 605 CA GLU A 42 13.230 -2.431 -3.604 1.00 0.00 C ATOM 606 C GLU A 42 11.771 -2.416 -4.036 1.00 0.00 C ATOM 607 O GLU A 42 10.965 -3.208 -3.544 1.00 0.00 O ATOM 608 CB GLU A 42 14.107 -2.929 -4.756 1.00 0.00 C ATOM 609 CG GLU A 42 15.301 -2.033 -5.040 1.00 0.00 C ATOM 610 CD GLU A 42 14.969 -0.889 -5.978 1.00 0.00 C ATOM 611 OE1 GLU A 42 13.773 -0.558 -6.138 1.00 0.00 O ATOM 612 OE2 GLU A 42 15.907 -0.308 -6.559 1.00 0.00 O ATOM 0 H GLU A 42 12.820 -4.126 -2.452 1.00 0.00 H new ATOM 0 HA GLU A 42 13.538 -1.419 -3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 42 14.463 -3.933 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.499 -3.007 -5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.677 -1.628 -4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 42 16.103 -2.631 -5.473 1.00 0.00 H new ATOM 619 N VAL A 43 11.449 -1.565 -4.997 1.00 0.00 N ATOM 620 CA VAL A 43 10.100 -1.504 -5.539 1.00 0.00 C ATOM 621 C VAL A 43 9.869 -2.660 -6.509 1.00 0.00 C ATOM 622 O VAL A 43 10.589 -2.802 -7.497 1.00 0.00 O ATOM 623 CB VAL A 43 9.835 -0.167 -6.267 1.00 0.00 C ATOM 624 CG1 VAL A 43 8.351 0.004 -6.551 1.00 0.00 C ATOM 625 CG2 VAL A 43 10.363 1.007 -5.453 1.00 0.00 C ATOM 0 H VAL A 43 12.104 -0.906 -5.418 1.00 0.00 H new ATOM 0 HA VAL A 43 9.409 -1.580 -4.700 1.00 0.00 H new ATOM 0 HB VAL A 43 10.367 -0.188 -7.218 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.186 0.951 -7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.004 -0.815 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.798 -0.002 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 43 10.165 1.937 -5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.865 1.031 -4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.437 0.894 -5.307 1.00 0.00 H new ATOM 635 N PRO A 44 8.888 -3.526 -6.214 1.00 0.00 N ATOM 636 CA PRO A 44 8.569 -4.684 -7.053 1.00 0.00 C ATOM 637 C PRO A 44 8.237 -4.280 -8.487 1.00 0.00 C ATOM 638 O PRO A 44 7.706 -3.193 -8.733 1.00 0.00 O ATOM 639 CB PRO A 44 7.348 -5.311 -6.372 1.00 0.00 C ATOM 640 CG PRO A 44 6.831 -4.265 -5.446 1.00 0.00 C ATOM 641 CD PRO A 44 8.023 -3.456 -5.031 1.00 0.00 C ATOM 0 HA PRO A 44 9.413 -5.368 -7.135 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.593 -5.595 -7.104 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.622 -6.216 -5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.087 -3.639 -5.940 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.345 -4.715 -4.581 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.751 -2.429 -4.789 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.509 -3.874 -4.149 1.00 0.00 H new ATOM 649 N ASP A 45 8.587 -5.139 -9.428 1.00 0.00 N ATOM 650 CA ASP A 45 8.379 -4.850 -10.836 1.00 0.00 C ATOM 651 C ASP A 45 6.958 -5.191 -11.264 1.00 0.00 C ATOM 652 O ASP A 45 6.707 -6.260 -11.823 1.00 0.00 O ATOM 653 CB ASP A 45 9.380 -5.620 -11.694 1.00 0.00 C ATOM 654 CG ASP A 45 9.359 -5.166 -13.138 1.00 0.00 C ATOM 655 OD1 ASP A 45 9.935 -4.100 -13.435 1.00 0.00 O ATOM 656 OD2 ASP A 45 8.761 -5.868 -13.980 1.00 0.00 O ATOM 0 H ASP A 45 9.018 -6.045 -9.242 1.00 0.00 H new ATOM 0 HA ASP A 45 8.534 -3.781 -10.982 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.383 -5.488 -11.287 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.154 -6.685 -11.646 1.00 0.00 H new ATOM 661 N GLY A 46 6.033 -4.274 -11.003 1.00 0.00 N ATOM 662 CA GLY A 46 4.651 -4.461 -11.409 1.00 0.00 C ATOM 663 C GLY A 46 3.891 -5.430 -10.523 1.00 0.00 C ATOM 664 O GLY A 46 2.894 -5.061 -9.903 1.00 0.00 O ATOM 0 H GLY A 46 6.217 -3.398 -10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.143 -3.497 -11.400 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.627 -4.824 -12.437 1.00 0.00 H new ATOM 668 N GLU A 47 4.330 -6.682 -10.509 1.00 0.00 N ATOM 669 CA GLU A 47 3.660 -7.729 -9.749 1.00 0.00 C ATOM 670 C GLU A 47 3.759 -7.474 -8.250 1.00 0.00 C ATOM 671 O GLU A 47 4.837 -7.584 -7.657 1.00 0.00 O ATOM 672 CB GLU A 47 4.252 -9.099 -10.090 1.00 0.00 C ATOM 673 CG GLU A 47 3.955 -9.560 -11.510 1.00 0.00 C ATOM 674 CD GLU A 47 2.490 -9.422 -11.890 1.00 0.00 C ATOM 675 OE1 GLU A 47 1.618 -9.558 -11.002 1.00 0.00 O ATOM 676 OE2 GLU A 47 2.204 -9.188 -13.083 1.00 0.00 O ATOM 0 H GLU A 47 5.154 -6.999 -11.020 1.00 0.00 H new ATOM 0 HA GLU A 47 2.606 -7.719 -10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.332 -9.063 -9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.863 -9.837 -9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.561 -8.981 -12.207 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.255 -10.602 -11.617 1.00 0.00 H new ATOM 683 N TRP A 48 2.617 -7.138 -7.654 1.00 0.00 N ATOM 684 CA TRP A 48 2.524 -6.871 -6.224 1.00 0.00 C ATOM 685 C TRP A 48 1.067 -6.642 -5.829 1.00 0.00 C ATOM 686 O TRP A 48 0.292 -6.071 -6.597 1.00 0.00 O ATOM 687 CB TRP A 48 3.361 -5.644 -5.841 1.00 0.00 C ATOM 688 CG TRP A 48 3.513 -5.467 -4.361 1.00 0.00 C ATOM 689 CD1 TRP A 48 4.378 -6.131 -3.542 1.00 0.00 C ATOM 690 CD2 TRP A 48 2.772 -4.571 -3.525 1.00 0.00 C ATOM 691 NE1 TRP A 48 4.223 -5.701 -2.247 1.00 0.00 N ATOM 692 CE2 TRP A 48 3.242 -4.745 -2.210 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.755 -3.640 -3.759 1.00 0.00 C ATOM 694 CZ2 TRP A 48 2.733 -4.018 -1.135 1.00 0.00 C ATOM 695 CZ3 TRP A 48 1.251 -2.920 -2.692 1.00 0.00 C ATOM 696 CH2 TRP A 48 1.741 -3.113 -1.393 1.00 0.00 C ATOM 0 H TRP A 48 1.731 -7.044 -8.151 1.00 0.00 H new ATOM 0 HA TRP A 48 2.914 -7.738 -5.690 1.00 0.00 H new ATOM 0 HB2 TRP A 48 4.349 -5.732 -6.292 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.897 -4.751 -6.261 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.082 -6.884 -3.864 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.752 -6.039 -1.443 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.370 -3.486 -4.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.109 -4.164 -0.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.467 -2.197 -2.862 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.327 -2.535 -0.580 1.00 0.00 H new ATOM 707 N GLN A 49 0.714 -7.055 -4.620 1.00 0.00 N ATOM 708 CA GLN A 49 -0.625 -6.838 -4.090 1.00 0.00 C ATOM 709 C GLN A 49 -0.548 -6.495 -2.608 1.00 0.00 C ATOM 710 O GLN A 49 0.384 -6.917 -1.918 1.00 0.00 O ATOM 711 CB GLN A 49 -1.493 -8.078 -4.305 1.00 0.00 C ATOM 712 CG GLN A 49 -2.508 -7.917 -5.424 1.00 0.00 C ATOM 713 CD GLN A 49 -3.115 -9.231 -5.862 1.00 0.00 C ATOM 714 OE1 GLN A 49 -2.404 -10.172 -6.217 1.00 0.00 O ATOM 715 NE2 GLN A 49 -4.436 -9.311 -5.840 1.00 0.00 N ATOM 0 H GLN A 49 1.342 -7.546 -3.983 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.082 -6.003 -4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.849 -8.929 -4.528 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.018 -8.310 -3.379 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.302 -7.248 -5.093 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.026 -7.442 -6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.991 -8.509 -5.539 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.899 -10.174 -6.124 1.00 0.00 H new ATOM 724 N CYS A 50 -1.475 -5.661 -2.146 1.00 0.00 N ATOM 725 CA CYS A 50 -1.470 -5.204 -0.766 1.00 0.00 C ATOM 726 C CYS A 50 -1.777 -6.357 0.195 1.00 0.00 C ATOM 727 O CYS A 50 -2.336 -7.374 -0.203 1.00 0.00 O ATOM 728 CB CYS A 50 -2.468 -4.046 -0.587 1.00 0.00 C ATOM 729 SG CYS A 50 -4.195 -4.542 -0.276 1.00 0.00 S ATOM 0 H CYS A 50 -2.239 -5.289 -2.710 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.473 -4.836 -0.525 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.132 -3.424 0.242 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.442 -3.425 -1.482 1.00 0.00 H new ATOM 734 N PRO A 51 -1.352 -6.250 1.459 1.00 0.00 N ATOM 735 CA PRO A 51 -1.518 -7.327 2.440 1.00 0.00 C ATOM 736 C PRO A 51 -2.915 -7.363 3.062 1.00 0.00 C ATOM 737 O PRO A 51 -3.091 -7.845 4.185 1.00 0.00 O ATOM 738 CB PRO A 51 -0.477 -6.979 3.499 1.00 0.00 C ATOM 739 CG PRO A 51 -0.390 -5.493 3.452 1.00 0.00 C ATOM 740 CD PRO A 51 -0.593 -5.113 2.012 1.00 0.00 C ATOM 0 HA PRO A 51 -1.395 -8.311 1.987 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.780 -7.329 4.486 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.485 -7.441 3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.150 -5.037 4.087 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.578 -5.147 3.814 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.145 -4.178 1.918 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.357 -4.975 1.496 1.00 0.00 H new ATOM 748 N ARG A 52 -3.894 -6.805 2.363 1.00 0.00 N ATOM 749 CA ARG A 52 -5.253 -6.737 2.890 1.00 0.00 C ATOM 750 C ARG A 52 -6.208 -7.636 2.108 1.00 0.00 C ATOM 751 O ARG A 52 -7.234 -8.067 2.639 1.00 0.00 O ATOM 752 CB ARG A 52 -5.757 -5.298 2.877 1.00 0.00 C ATOM 753 CG ARG A 52 -4.796 -4.316 3.527 1.00 0.00 C ATOM 754 CD ARG A 52 -5.176 -2.874 3.239 1.00 0.00 C ATOM 755 NE ARG A 52 -5.844 -2.722 1.948 1.00 0.00 N ATOM 756 CZ ARG A 52 -7.075 -2.237 1.803 1.00 0.00 C ATOM 757 NH1 ARG A 52 -7.800 -1.930 2.875 1.00 0.00 N ATOM 758 NH2 ARG A 52 -7.590 -2.079 0.591 1.00 0.00 N ATOM 0 H ARG A 52 -3.776 -6.395 1.436 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.224 -7.097 3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.935 -4.992 1.846 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.716 -5.252 3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.784 -4.480 4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.785 -4.504 3.165 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.832 -2.509 4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.280 -2.254 3.257 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.337 -3.004 1.109 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.413 -2.066 3.809 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.743 -1.558 2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.042 -2.329 -0.232 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.534 -1.707 0.482 1.00 0.00 H new ATOM 772 N CYS A 53 -5.845 -7.973 0.875 1.00 0.00 N ATOM 773 CA CYS A 53 -6.650 -8.875 0.073 1.00 0.00 C ATOM 774 C CYS A 53 -6.292 -10.314 0.420 1.00 0.00 C ATOM 775 O CYS A 53 -7.115 -11.227 0.325 1.00 0.00 O ATOM 776 CB CYS A 53 -6.392 -8.599 -1.404 1.00 0.00 C ATOM 777 SG CYS A 53 -4.730 -7.939 -1.740 1.00 0.00 S ATOM 0 H CYS A 53 -5.001 -7.634 0.414 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.708 -8.718 0.281 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.528 -9.522 -1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.136 -7.891 -1.768 1.00 0.00 H new ATOM 782 N THR A 54 -5.052 -10.490 0.847 1.00 0.00 N ATOM 783 CA THR A 54 -4.545 -11.785 1.241 1.00 0.00 C ATOM 784 C THR A 54 -5.256 -12.297 2.486 1.00 0.00 C ATOM 785 O THR A 54 -5.268 -11.633 3.525 1.00 0.00 O ATOM 786 CB THR A 54 -3.037 -11.706 1.521 1.00 0.00 C ATOM 787 OG1 THR A 54 -2.594 -10.347 1.385 1.00 0.00 O ATOM 788 CG2 THR A 54 -2.262 -12.593 0.563 1.00 0.00 C ATOM 0 H THR A 54 -4.371 -9.735 0.929 1.00 0.00 H new ATOM 0 HA THR A 54 -4.731 -12.476 0.419 1.00 0.00 H new ATOM 0 HB THR A 54 -2.855 -12.054 2.538 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.624 -10.331 1.246 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.196 -12.520 0.781 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.587 -13.627 0.681 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.446 -12.270 -0.462 1.00 0.00 H new ATOM 796 N CYS A 55 -5.775 -13.509 2.394 1.00 0.00 N ATOM 797 CA CYS A 55 -6.388 -14.168 3.531 1.00 0.00 C ATOM 798 C CYS A 55 -5.540 -15.371 3.923 1.00 0.00 C ATOM 799 O CYS A 55 -5.613 -16.425 3.290 1.00 0.00 O ATOM 800 CB CYS A 55 -7.815 -14.604 3.187 1.00 0.00 C ATOM 801 SG CYS A 55 -8.519 -13.754 1.752 1.00 0.00 S ATOM 0 H CYS A 55 -5.783 -14.059 1.535 1.00 0.00 H new ATOM 0 HA CYS A 55 -6.441 -13.475 4.371 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.821 -15.678 2.999 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.456 -14.428 4.051 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.843 -12.669 1.516 1.00 0.00 H new ATOM 807 N PRO A 56 -4.607 -15.176 4.866 1.00 0.00 N ATOM 808 CA PRO A 56 -3.643 -16.211 5.245 1.00 0.00 C ATOM 809 C PRO A 56 -4.306 -17.414 5.899 1.00 0.00 C ATOM 810 O PRO A 56 -5.327 -17.284 6.579 1.00 0.00 O ATOM 811 CB PRO A 56 -2.722 -15.503 6.246 1.00 0.00 C ATOM 812 CG PRO A 56 -3.501 -14.330 6.729 1.00 0.00 C ATOM 813 CD PRO A 56 -4.360 -13.909 5.575 1.00 0.00 C ATOM 0 HA PRO A 56 -3.122 -16.610 4.375 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.453 -16.164 7.070 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.792 -15.190 5.772 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.110 -14.594 7.594 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.839 -13.522 7.039 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.288 -13.447 5.911 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.854 -13.183 4.939 1.00 0.00 H new ATOM 821 N ALA A 57 -3.698 -18.574 5.720 1.00 0.00 N ATOM 822 CA ALA A 57 -4.185 -19.795 6.334 1.00 0.00 C ATOM 823 C ALA A 57 -3.766 -19.849 7.799 1.00 0.00 C ATOM 824 O ALA A 57 -3.242 -18.870 8.339 1.00 0.00 O ATOM 825 CB ALA A 57 -3.651 -21.004 5.579 1.00 0.00 C ATOM 0 H ALA A 57 -2.861 -18.695 5.150 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.274 -19.808 6.287 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.021 -21.917 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.988 -20.964 4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.561 -20.998 5.607 1.00 0.00 H new ATOM 831 N LEU A 58 -3.979 -20.988 8.438 1.00 0.00 N ATOM 832 CA LEU A 58 -3.588 -21.159 9.830 1.00 0.00 C ATOM 833 C LEU A 58 -2.101 -21.485 9.924 1.00 0.00 C ATOM 834 O LEU A 58 -1.709 -22.652 9.857 1.00 0.00 O ATOM 835 CB LEU A 58 -4.418 -22.258 10.490 1.00 0.00 C ATOM 836 CG LEU A 58 -5.099 -21.853 11.797 1.00 0.00 C ATOM 837 CD1 LEU A 58 -6.522 -21.383 11.535 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.088 -23.011 12.783 1.00 0.00 C ATOM 0 H LEU A 58 -4.419 -21.806 8.017 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.775 -20.225 10.359 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.182 -22.588 9.786 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.772 -23.114 10.684 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.542 -21.025 12.235 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.991 -21.099 12.477 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.504 -20.523 10.865 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.093 -22.190 11.075 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.577 -22.706 13.708 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.621 -23.859 12.354 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.058 -23.299 12.995 1.00 0.00 H new ATOM 850 N LYS A 59 -1.287 -20.431 9.996 1.00 0.00 N ATOM 851 CA LYS A 59 0.174 -20.536 10.026 1.00 0.00 C ATOM 852 C LYS A 59 0.719 -21.026 8.687 1.00 0.00 C ATOM 853 O LYS A 59 1.265 -20.245 7.908 1.00 0.00 O ATOM 854 CB LYS A 59 0.645 -21.448 11.164 1.00 0.00 C ATOM 855 CG LYS A 59 1.425 -20.720 12.245 1.00 0.00 C ATOM 856 CD LYS A 59 0.593 -19.629 12.895 1.00 0.00 C ATOM 857 CE LYS A 59 0.693 -19.682 14.410 1.00 0.00 C ATOM 858 NZ LYS A 59 2.011 -19.195 14.893 1.00 0.00 N ATOM 0 H LYS A 59 -1.626 -19.470 10.036 1.00 0.00 H new ATOM 0 HA LYS A 59 0.568 -19.536 10.210 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.223 -21.929 11.616 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.268 -22.240 10.749 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.748 -21.433 13.004 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.326 -20.283 11.813 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.928 -18.654 12.541 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.449 -19.736 12.594 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.101 -19.077 14.848 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.537 -20.706 14.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.041 -19.246 15.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.767 -19.788 14.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.149 -18.209 14.591 1.00 0.00 H new ATOM 872 N GLY A 60 0.523 -22.299 8.400 1.00 0.00 N ATOM 873 CA GLY A 60 0.958 -22.851 7.140 1.00 0.00 C ATOM 874 C GLY A 60 0.012 -23.918 6.644 1.00 0.00 C ATOM 875 O GLY A 60 -0.356 -24.821 7.395 1.00 0.00 O ATOM 0 H GLY A 60 0.066 -22.965 9.023 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.030 -22.055 6.399 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.957 -23.273 7.253 1.00 0.00 H new ATOM 879 N LYS A 61 -0.408 -23.792 5.396 1.00 0.00 N ATOM 880 CA LYS A 61 -1.326 -24.739 4.788 1.00 0.00 C ATOM 881 C LYS A 61 -1.307 -24.561 3.277 1.00 0.00 C ATOM 882 O LYS A 61 -1.337 -23.398 2.819 1.00 0.00 O ATOM 883 CB LYS A 61 -2.746 -24.536 5.325 1.00 0.00 C ATOM 884 CG LYS A 61 -3.705 -25.657 4.960 1.00 0.00 C ATOM 885 CD LYS A 61 -4.625 -26.003 6.119 1.00 0.00 C ATOM 886 CE LYS A 61 -6.088 -25.925 5.719 1.00 0.00 C ATOM 887 NZ LYS A 61 -6.966 -25.626 6.878 1.00 0.00 N ATOM 888 OXT LYS A 61 -1.230 -25.573 2.554 1.00 0.00 O ATOM 0 H LYS A 61 -0.123 -23.032 4.778 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.009 -25.751 5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.705 -24.445 6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.139 -23.595 4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.301 -25.361 4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.138 -26.541 4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.399 -27.008 6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.438 -25.321 6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.216 -25.154 4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.392 -26.870 5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.956 -25.582 6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.864 -26.375 7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.694 -24.712 7.293 1.00 0.00 H new TER 902 LYS A 61 HETATM 903 ZN ZN A 62 -4.947 -5.707 -2.098 1.00 0.00 ZN HETATM 904 ZN ZN A 63 4.239 3.984 3.629 1.00 0.00 ZN