USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 573 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 36 HIS HD1 : A 36 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 74 HIS HD1 : A 74 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 30 SER OG : rot 43:sc= 0.514 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00616) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.83) USER MOD Single : A 47 THR OG1 : rot -165:sc= 0.00268 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.588 X(o=-0.59,f=-0.097) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.213 X(o=-0.21,f=0.27) USER MOD Single : A 65 GLN : amide:sc= -6.08! C(o=-6.1!,f=-11!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -8.45! C(o=-8.4!,f=-12!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.981 K(o=-0.98,f=-2.6!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.228 X(o=-0.23,f=0.011) USER MOD Single : A 102 LYS NZ :NH3+ -166:sc=-0.00571 (180deg=-0.156) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -4.549 -12.214 -16.089 1.00 0.00 N ATOM 2 CA GLY A 29 -3.903 -11.595 -17.232 1.00 0.00 C ATOM 3 C GLY A 29 -2.425 -11.925 -17.311 1.00 0.00 C ATOM 4 O GLY A 29 -2.051 -13.057 -17.618 1.00 0.00 O ATOM 0 HA2 GLY A 29 -4.395 -11.925 -18.147 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.028 -10.514 -17.175 1.00 0.00 H new ATOM 8 N SER A 30 -1.584 -10.934 -17.036 1.00 0.00 N ATOM 9 CA SER A 30 -0.139 -11.123 -17.083 1.00 0.00 C ATOM 10 C SER A 30 0.324 -12.057 -15.968 1.00 0.00 C ATOM 11 O SER A 30 0.454 -11.648 -14.815 1.00 0.00 O ATOM 12 CB SER A 30 0.577 -9.776 -16.965 1.00 0.00 C ATOM 13 OG SER A 30 0.150 -9.071 -15.813 1.00 0.00 O ATOM 0 H SER A 30 -1.878 -9.992 -16.778 1.00 0.00 H new ATOM 0 HA SER A 30 0.112 -11.577 -18.042 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.654 -9.936 -16.919 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.382 -9.177 -17.855 1.00 0.00 H new ATOM 0 HG SER A 30 0.095 -9.688 -15.053 1.00 0.00 H new ATOM 19 N SER A 31 0.571 -13.314 -16.323 1.00 0.00 N ATOM 20 CA SER A 31 1.015 -14.308 -15.353 1.00 0.00 C ATOM 21 C SER A 31 2.261 -13.829 -14.615 1.00 0.00 C ATOM 22 O SER A 31 2.986 -12.960 -15.097 1.00 0.00 O ATOM 23 CB SER A 31 1.302 -15.639 -16.050 1.00 0.00 C ATOM 24 OG SER A 31 1.039 -16.734 -15.189 1.00 0.00 O ATOM 0 H SER A 31 0.471 -13.668 -17.274 1.00 0.00 H new ATOM 0 HA SER A 31 0.216 -14.451 -14.626 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.689 -15.723 -16.947 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.343 -15.667 -16.372 1.00 0.00 H new ATOM 0 HG SER A 31 1.229 -17.573 -15.659 1.00 0.00 H new ATOM 30 N GLY A 32 2.503 -14.403 -13.440 1.00 0.00 N ATOM 31 CA GLY A 32 3.662 -14.022 -12.654 1.00 0.00 C ATOM 32 C GLY A 32 3.281 -13.379 -11.335 1.00 0.00 C ATOM 33 O GLY A 32 2.451 -13.907 -10.596 1.00 0.00 O ATOM 0 H GLY A 32 1.918 -15.124 -13.019 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.273 -14.904 -12.462 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.275 -13.328 -13.229 1.00 0.00 H new ATOM 37 N SER A 33 3.891 -12.236 -11.038 1.00 0.00 N ATOM 38 CA SER A 33 3.615 -11.522 -9.796 1.00 0.00 C ATOM 39 C SER A 33 2.336 -10.699 -9.915 1.00 0.00 C ATOM 40 O SER A 33 2.026 -10.164 -10.979 1.00 0.00 O ATOM 41 CB SER A 33 4.790 -10.611 -9.435 1.00 0.00 C ATOM 42 OG SER A 33 4.549 -9.927 -8.218 1.00 0.00 O ATOM 0 H SER A 33 4.579 -11.784 -11.640 1.00 0.00 H new ATOM 0 HA SER A 33 3.479 -12.259 -9.004 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.701 -11.204 -9.349 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.954 -9.889 -10.235 1.00 0.00 H new ATOM 0 HG SER A 33 5.315 -9.353 -8.008 1.00 0.00 H new ATOM 48 N SER A 34 1.597 -10.603 -8.814 1.00 0.00 N ATOM 49 CA SER A 34 0.349 -9.849 -8.794 1.00 0.00 C ATOM 50 C SER A 34 0.331 -8.860 -7.633 1.00 0.00 C ATOM 51 O SER A 34 0.710 -9.195 -6.512 1.00 0.00 O ATOM 52 CB SER A 34 -0.845 -10.800 -8.689 1.00 0.00 C ATOM 53 OG SER A 34 -0.854 -11.470 -7.440 1.00 0.00 O ATOM 0 H SER A 34 1.841 -11.038 -7.924 1.00 0.00 H new ATOM 0 HA SER A 34 0.276 -9.289 -9.726 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.772 -10.240 -8.812 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.805 -11.530 -9.497 1.00 0.00 H new ATOM 0 HG SER A 34 -1.627 -12.071 -7.396 1.00 0.00 H new ATOM 59 N GLY A 35 -0.114 -7.638 -7.911 1.00 0.00 N ATOM 60 CA GLY A 35 -0.174 -6.618 -6.881 1.00 0.00 C ATOM 61 C GLY A 35 -1.023 -7.038 -5.698 1.00 0.00 C ATOM 62 O GLY A 35 -1.776 -8.009 -5.779 1.00 0.00 O ATOM 0 H GLY A 35 -0.434 -7.337 -8.831 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.836 -6.393 -6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.578 -5.700 -7.307 1.00 0.00 H new ATOM 66 N HIS A 36 -0.902 -6.307 -4.595 1.00 0.00 N ATOM 67 CA HIS A 36 -1.664 -6.610 -3.388 1.00 0.00 C ATOM 68 C HIS A 36 -3.146 -6.780 -3.711 1.00 0.00 C ATOM 69 O HIS A 36 -3.583 -6.511 -4.830 1.00 0.00 O ATOM 70 CB HIS A 36 -1.479 -5.503 -2.351 1.00 0.00 C ATOM 71 CG HIS A 36 -0.070 -5.369 -1.861 1.00 0.00 C ATOM 72 ND1 HIS A 36 0.289 -5.553 -0.543 1.00 0.00 N ATOM 73 CD2 HIS A 36 1.073 -5.071 -2.523 1.00 0.00 C ATOM 74 CE1 HIS A 36 1.591 -5.371 -0.414 1.00 0.00 C ATOM 75 NE2 HIS A 36 2.090 -5.078 -1.601 1.00 0.00 N ATOM 0 H HIS A 36 -0.283 -5.500 -4.511 1.00 0.00 H new ATOM 0 HA HIS A 36 -1.290 -7.547 -2.977 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.796 -4.554 -2.784 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -2.133 -5.700 -1.501 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.167 -4.866 -3.579 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.152 -5.449 0.506 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.072 -4.888 -1.800 1.00 0.00 H new ATOM 83 N LYS A 37 -3.913 -7.228 -2.723 1.00 0.00 N ATOM 84 CA LYS A 37 -5.346 -7.434 -2.900 1.00 0.00 C ATOM 85 C LYS A 37 -6.099 -6.110 -2.822 1.00 0.00 C ATOM 86 O LYS A 37 -7.154 -6.020 -2.193 1.00 0.00 O ATOM 87 CB LYS A 37 -5.878 -8.399 -1.838 1.00 0.00 C ATOM 88 CG LYS A 37 -5.748 -9.862 -2.226 1.00 0.00 C ATOM 89 CD LYS A 37 -5.651 -10.757 -1.002 1.00 0.00 C ATOM 90 CE LYS A 37 -6.049 -12.189 -1.326 1.00 0.00 C ATOM 91 NZ LYS A 37 -5.103 -12.823 -2.286 1.00 0.00 N ATOM 0 H LYS A 37 -3.566 -7.456 -1.791 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.507 -7.866 -3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.341 -8.230 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.927 -8.174 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.608 -10.158 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.863 -9.997 -2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.631 -10.740 -0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.296 -10.368 -0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.081 -12.774 -0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.055 -12.200 -1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.379 -13.813 -2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.129 -12.309 -3.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.139 -12.790 -1.897 1.00 0.00 H new ATOM 105 N PHE A 38 -5.552 -5.084 -3.465 1.00 0.00 N ATOM 106 CA PHE A 38 -6.173 -3.764 -3.469 1.00 0.00 C ATOM 107 C PHE A 38 -7.641 -3.855 -3.876 1.00 0.00 C ATOM 108 O PHE A 38 -7.968 -4.332 -4.963 1.00 0.00 O ATOM 109 CB PHE A 38 -5.425 -2.828 -4.420 1.00 0.00 C ATOM 110 CG PHE A 38 -4.066 -2.426 -3.921 1.00 0.00 C ATOM 111 CD1 PHE A 38 -3.928 -1.733 -2.729 1.00 0.00 C ATOM 112 CD2 PHE A 38 -2.927 -2.742 -4.644 1.00 0.00 C ATOM 113 CE1 PHE A 38 -2.679 -1.363 -2.267 1.00 0.00 C ATOM 114 CE2 PHE A 38 -1.676 -2.375 -4.186 1.00 0.00 C ATOM 115 CZ PHE A 38 -1.552 -1.683 -2.997 1.00 0.00 C ATOM 0 H PHE A 38 -4.680 -5.141 -3.990 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.119 -3.361 -2.458 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.318 -3.317 -5.388 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.024 -1.932 -4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.806 -1.479 -2.154 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.018 -3.281 -5.575 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.585 -0.824 -1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.796 -2.629 -4.757 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.575 -1.393 -2.639 1.00 0.00 H new ATOM 125 N THR A 39 -8.523 -3.394 -2.994 1.00 0.00 N ATOM 126 CA THR A 39 -9.955 -3.424 -3.260 1.00 0.00 C ATOM 127 C THR A 39 -10.608 -2.092 -2.907 1.00 0.00 C ATOM 128 O THR A 39 -10.551 -1.646 -1.762 1.00 0.00 O ATOM 129 CB THR A 39 -10.650 -4.549 -2.468 1.00 0.00 C ATOM 130 OG1 THR A 39 -12.046 -4.582 -2.786 1.00 0.00 O ATOM 131 CG2 THR A 39 -10.471 -4.346 -0.971 1.00 0.00 C ATOM 0 H THR A 39 -8.270 -2.996 -2.090 1.00 0.00 H new ATOM 0 HA THR A 39 -10.074 -3.613 -4.327 1.00 0.00 H new ATOM 0 HB THR A 39 -10.192 -5.497 -2.748 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.480 -5.300 -2.280 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.970 -5.152 -0.432 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.408 -4.350 -0.728 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.906 -3.390 -0.679 1.00 0.00 H new ATOM 139 N ALA A 40 -11.228 -1.462 -3.899 1.00 0.00 N ATOM 140 CA ALA A 40 -11.894 -0.182 -3.693 1.00 0.00 C ATOM 141 C ALA A 40 -12.972 -0.291 -2.619 1.00 0.00 C ATOM 142 O ALA A 40 -13.876 -1.120 -2.715 1.00 0.00 O ATOM 143 CB ALA A 40 -12.496 0.316 -4.999 1.00 0.00 C ATOM 0 H ALA A 40 -11.283 -1.817 -4.854 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.149 0.537 -3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.990 1.273 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.706 0.441 -5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.224 -0.409 -5.364 1.00 0.00 H new ATOM 149 N ARG A 41 -12.868 0.552 -1.597 1.00 0.00 N ATOM 150 CA ARG A 41 -13.833 0.549 -0.504 1.00 0.00 C ATOM 151 C ARG A 41 -14.071 1.964 0.015 1.00 0.00 C ATOM 152 O ARG A 41 -13.184 2.816 -0.046 1.00 0.00 O ATOM 153 CB ARG A 41 -13.343 -0.348 0.635 1.00 0.00 C ATOM 154 CG ARG A 41 -12.051 0.132 1.275 1.00 0.00 C ATOM 155 CD ARG A 41 -12.320 1.120 2.400 1.00 0.00 C ATOM 156 NE ARG A 41 -13.216 0.567 3.412 1.00 0.00 N ATOM 157 CZ ARG A 41 -12.797 -0.133 4.460 1.00 0.00 C ATOM 158 NH1 ARG A 41 -11.503 -0.363 4.634 1.00 0.00 N ATOM 159 NH2 ARG A 41 -13.674 -0.604 5.338 1.00 0.00 N ATOM 0 H ARG A 41 -12.126 1.245 -1.503 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.776 0.157 -0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -14.118 -0.406 1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.196 -1.358 0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.497 -0.722 1.664 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.422 0.602 0.519 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.377 1.403 2.867 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.757 2.029 1.987 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.218 0.727 3.308 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.826 -0.002 3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.184 -0.901 5.440 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.670 -0.428 5.208 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.352 -1.142 6.143 1.00 0.00 H new ATOM 173 N PHE A 42 -15.273 2.207 0.526 1.00 0.00 N ATOM 174 CA PHE A 42 -15.628 3.519 1.055 1.00 0.00 C ATOM 175 C PHE A 42 -14.843 3.824 2.327 1.00 0.00 C ATOM 176 O PHE A 42 -14.778 3.002 3.242 1.00 0.00 O ATOM 177 CB PHE A 42 -17.130 3.588 1.340 1.00 0.00 C ATOM 178 CG PHE A 42 -17.962 3.839 0.115 1.00 0.00 C ATOM 179 CD1 PHE A 42 -17.911 2.971 -0.963 1.00 0.00 C ATOM 180 CD2 PHE A 42 -18.796 4.944 0.042 1.00 0.00 C ATOM 181 CE1 PHE A 42 -18.676 3.199 -2.092 1.00 0.00 C ATOM 182 CE2 PHE A 42 -19.563 5.177 -1.084 1.00 0.00 C ATOM 183 CZ PHE A 42 -19.502 4.304 -2.152 1.00 0.00 C ATOM 0 H PHE A 42 -16.018 1.513 0.585 1.00 0.00 H new ATOM 0 HA PHE A 42 -15.373 4.267 0.304 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -17.448 2.652 1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.318 4.379 2.065 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -17.266 2.106 -0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -18.847 5.630 0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.628 2.514 -2.926 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -20.209 6.041 -1.128 1.00 0.00 H new ATOM 0 HZ PHE A 42 -20.100 4.485 -3.033 1.00 0.00 H new ATOM 193 N PHE A 43 -14.247 5.011 2.377 1.00 0.00 N ATOM 194 CA PHE A 43 -13.464 5.424 3.536 1.00 0.00 C ATOM 195 C PHE A 43 -14.075 6.659 4.192 1.00 0.00 C ATOM 196 O PHE A 43 -14.721 7.472 3.531 1.00 0.00 O ATOM 197 CB PHE A 43 -12.019 5.713 3.125 1.00 0.00 C ATOM 198 CG PHE A 43 -11.099 4.539 3.302 1.00 0.00 C ATOM 199 CD1 PHE A 43 -10.979 3.916 4.533 1.00 0.00 C ATOM 200 CD2 PHE A 43 -10.354 4.059 2.236 1.00 0.00 C ATOM 201 CE1 PHE A 43 -10.134 2.835 4.700 1.00 0.00 C ATOM 202 CE2 PHE A 43 -9.508 2.978 2.397 1.00 0.00 C ATOM 203 CZ PHE A 43 -9.397 2.366 3.630 1.00 0.00 C ATOM 0 H PHE A 43 -14.291 5.703 1.629 1.00 0.00 H new ATOM 0 HA PHE A 43 -13.472 4.608 4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -12.002 6.023 2.080 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.643 6.551 3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.553 4.279 5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.436 4.535 1.270 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.050 2.358 5.665 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.934 2.612 1.559 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.735 1.522 3.757 1.00 0.00 H new ATOM 213 N LYS A 44 -13.865 6.793 5.497 1.00 0.00 N ATOM 214 CA LYS A 44 -14.393 7.928 6.245 1.00 0.00 C ATOM 215 C LYS A 44 -13.262 8.805 6.773 1.00 0.00 C ATOM 216 O LYS A 44 -13.318 10.030 6.673 1.00 0.00 O ATOM 217 CB LYS A 44 -15.260 7.440 7.408 1.00 0.00 C ATOM 218 CG LYS A 44 -15.817 8.564 8.265 1.00 0.00 C ATOM 219 CD LYS A 44 -16.435 8.033 9.548 1.00 0.00 C ATOM 220 CE LYS A 44 -16.546 9.121 10.605 1.00 0.00 C ATOM 221 NZ LYS A 44 -17.829 9.870 10.497 1.00 0.00 N ATOM 0 H LYS A 44 -13.332 6.129 6.059 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.006 8.524 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.088 6.852 7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.669 6.774 8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.020 9.267 8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -16.568 9.116 7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.424 7.628 9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.830 7.212 9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.469 8.674 11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.711 9.814 10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.867 10.602 11.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.892 10.318 9.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.626 9.213 10.621 1.00 0.00 H new ATOM 235 N GLN A 45 -12.238 8.169 7.332 1.00 0.00 N ATOM 236 CA GLN A 45 -11.094 8.893 7.874 1.00 0.00 C ATOM 237 C GLN A 45 -9.979 9.002 6.839 1.00 0.00 C ATOM 238 O GLN A 45 -9.868 8.188 5.922 1.00 0.00 O ATOM 239 CB GLN A 45 -10.573 8.198 9.132 1.00 0.00 C ATOM 240 CG GLN A 45 -9.755 6.949 8.843 1.00 0.00 C ATOM 241 CD GLN A 45 -8.726 6.664 9.918 1.00 0.00 C ATOM 242 OE1 GLN A 45 -8.084 7.577 10.438 1.00 0.00 O ATOM 243 NE2 GLN A 45 -8.561 5.390 10.258 1.00 0.00 N ATOM 0 H GLN A 45 -12.177 7.155 7.422 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.423 9.899 8.134 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.961 8.900 9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.419 7.930 9.765 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.425 6.094 8.751 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.250 7.064 7.884 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.114 4.665 9.802 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.881 5.138 10.975 1.00 0.00 H new ATOM 252 N PRO A 46 -9.131 10.031 6.988 1.00 0.00 N ATOM 253 CA PRO A 46 -8.009 10.270 6.076 1.00 0.00 C ATOM 254 C PRO A 46 -6.913 9.220 6.218 1.00 0.00 C ATOM 255 O PRO A 46 -5.908 9.443 6.895 1.00 0.00 O ATOM 256 CB PRO A 46 -7.491 11.645 6.504 1.00 0.00 C ATOM 257 CG PRO A 46 -7.899 11.777 7.931 1.00 0.00 C ATOM 258 CD PRO A 46 -9.204 11.040 8.058 1.00 0.00 C ATOM 0 HA PRO A 46 -8.315 10.221 5.031 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.409 11.712 6.394 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.923 12.438 5.894 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.145 11.352 8.593 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.014 12.825 8.209 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.311 10.578 9.039 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.056 11.706 7.925 1.00 0.00 H new ATOM 266 N THR A 47 -7.111 8.073 5.575 1.00 0.00 N ATOM 267 CA THR A 47 -6.139 6.988 5.630 1.00 0.00 C ATOM 268 C THR A 47 -4.737 7.489 5.306 1.00 0.00 C ATOM 269 O THR A 47 -4.569 8.554 4.712 1.00 0.00 O ATOM 270 CB THR A 47 -6.506 5.856 4.652 1.00 0.00 C ATOM 271 OG1 THR A 47 -7.853 5.428 4.881 1.00 0.00 O ATOM 272 CG2 THR A 47 -5.560 4.675 4.813 1.00 0.00 C ATOM 0 H THR A 47 -7.936 7.872 5.010 1.00 0.00 H new ATOM 0 HA THR A 47 -6.156 6.599 6.648 1.00 0.00 H new ATOM 0 HB THR A 47 -6.415 6.240 3.636 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.005 4.572 4.430 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.838 3.888 4.112 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.539 4.997 4.610 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.625 4.293 5.832 1.00 0.00 H new ATOM 280 N PHE A 48 -3.731 6.715 5.701 1.00 0.00 N ATOM 281 CA PHE A 48 -2.341 7.081 5.453 1.00 0.00 C ATOM 282 C PHE A 48 -1.752 6.244 4.321 1.00 0.00 C ATOM 283 O PHE A 48 -1.791 5.014 4.358 1.00 0.00 O ATOM 284 CB PHE A 48 -1.509 6.899 6.724 1.00 0.00 C ATOM 285 CG PHE A 48 -0.147 7.526 6.643 1.00 0.00 C ATOM 286 CD1 PHE A 48 0.809 7.028 5.773 1.00 0.00 C ATOM 287 CD2 PHE A 48 0.178 8.613 7.439 1.00 0.00 C ATOM 288 CE1 PHE A 48 2.064 7.602 5.696 1.00 0.00 C ATOM 289 CE2 PHE A 48 1.431 9.192 7.366 1.00 0.00 C ATOM 290 CZ PHE A 48 2.375 8.685 6.494 1.00 0.00 C ATOM 0 H PHE A 48 -3.852 5.830 6.194 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.315 8.130 5.157 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.049 7.330 7.567 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.398 5.834 6.927 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.571 6.181 5.147 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.556 9.012 8.124 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.800 7.204 5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.672 10.040 7.990 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.355 9.135 6.437 1.00 0.00 H new ATOM 300 N CYS A 49 -1.207 6.920 3.315 1.00 0.00 N ATOM 301 CA CYS A 49 -0.611 6.241 2.172 1.00 0.00 C ATOM 302 C CYS A 49 0.831 5.838 2.469 1.00 0.00 C ATOM 303 O CYS A 49 1.732 6.676 2.472 1.00 0.00 O ATOM 304 CB CYS A 49 -0.655 7.142 0.936 1.00 0.00 C ATOM 305 SG CYS A 49 -0.077 6.338 -0.592 1.00 0.00 S ATOM 0 H CYS A 49 -1.166 7.938 3.269 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.190 5.338 1.976 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.678 7.487 0.787 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.045 8.026 1.122 1.00 0.00 H new ATOM 310 N SER A 50 1.040 4.550 2.720 1.00 0.00 N ATOM 311 CA SER A 50 2.371 4.036 3.022 1.00 0.00 C ATOM 312 C SER A 50 3.205 3.908 1.751 1.00 0.00 C ATOM 313 O SER A 50 3.959 2.948 1.583 1.00 0.00 O ATOM 314 CB SER A 50 2.270 2.678 3.719 1.00 0.00 C ATOM 315 OG SER A 50 2.005 2.832 5.102 1.00 0.00 O ATOM 0 H SER A 50 0.305 3.843 2.720 1.00 0.00 H new ATOM 0 HA SER A 50 2.864 4.743 3.689 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.479 2.087 3.258 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.200 2.126 3.583 1.00 0.00 H new ATOM 0 HG SER A 50 1.944 1.949 5.524 1.00 0.00 H new ATOM 321 N HIS A 51 3.065 4.882 0.858 1.00 0.00 N ATOM 322 CA HIS A 51 3.806 4.880 -0.398 1.00 0.00 C ATOM 323 C HIS A 51 4.413 6.253 -0.674 1.00 0.00 C ATOM 324 O HIS A 51 5.597 6.367 -0.993 1.00 0.00 O ATOM 325 CB HIS A 51 2.892 4.472 -1.554 1.00 0.00 C ATOM 326 CG HIS A 51 3.560 4.521 -2.893 1.00 0.00 C ATOM 327 ND1 HIS A 51 3.967 3.392 -3.572 1.00 0.00 N ATOM 328 CD2 HIS A 51 3.891 5.571 -3.680 1.00 0.00 C ATOM 329 CE1 HIS A 51 4.521 3.746 -4.718 1.00 0.00 C ATOM 330 NE2 HIS A 51 4.487 5.063 -4.808 1.00 0.00 N ATOM 0 H HIS A 51 2.445 5.683 0.981 1.00 0.00 H new ATOM 0 HA HIS A 51 4.616 4.155 -0.312 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.526 3.461 -1.377 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.022 5.128 -1.567 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.718 6.615 -3.462 1.00 0.00 H new ATOM 0 HE1 HIS A 51 4.932 3.073 -5.456 1.00 0.00 H new ATOM 0 HE2 HIS A 51 4.845 5.613 -5.588 1.00 0.00 H new ATOM 338 N CYS A 52 3.594 7.291 -0.550 1.00 0.00 N ATOM 339 CA CYS A 52 4.048 8.656 -0.786 1.00 0.00 C ATOM 340 C CYS A 52 3.824 9.526 0.448 1.00 0.00 C ATOM 341 O CYS A 52 3.644 10.740 0.342 1.00 0.00 O ATOM 342 CB CYS A 52 3.316 9.259 -1.988 1.00 0.00 C ATOM 343 SG CYS A 52 1.505 9.323 -1.799 1.00 0.00 S ATOM 0 H CYS A 52 2.612 7.213 -0.287 1.00 0.00 H new ATOM 0 HA CYS A 52 5.117 8.625 -0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.689 10.269 -2.158 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.558 8.676 -2.877 1.00 0.00 H new ATOM 348 N THR A 53 3.837 8.896 1.619 1.00 0.00 N ATOM 349 CA THR A 53 3.635 9.611 2.873 1.00 0.00 C ATOM 350 C THR A 53 2.598 10.716 2.715 1.00 0.00 C ATOM 351 O THR A 53 2.853 11.873 3.048 1.00 0.00 O ATOM 352 CB THR A 53 4.950 10.227 3.387 1.00 0.00 C ATOM 353 OG1 THR A 53 5.950 9.210 3.515 1.00 0.00 O ATOM 354 CG2 THR A 53 4.739 10.910 4.729 1.00 0.00 C ATOM 0 H THR A 53 3.985 7.892 1.725 1.00 0.00 H new ATOM 0 HA THR A 53 3.276 8.881 3.598 1.00 0.00 H new ATOM 0 HB THR A 53 5.282 10.974 2.666 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.783 9.610 3.841 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.681 11.337 5.072 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.999 11.703 4.621 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.385 10.180 5.457 1.00 0.00 H new ATOM 362 N ASP A 54 1.426 10.353 2.205 1.00 0.00 N ATOM 363 CA ASP A 54 0.348 11.314 2.004 1.00 0.00 C ATOM 364 C ASP A 54 -0.984 10.745 2.484 1.00 0.00 C ATOM 365 O ASP A 54 -1.138 9.532 2.623 1.00 0.00 O ATOM 366 CB ASP A 54 0.249 11.701 0.528 1.00 0.00 C ATOM 367 CG ASP A 54 1.266 12.756 0.137 1.00 0.00 C ATOM 368 OD1 ASP A 54 1.474 13.700 0.926 1.00 0.00 O ATOM 369 OD2 ASP A 54 1.853 12.637 -0.959 1.00 0.00 O ATOM 0 H ASP A 54 1.198 9.399 1.923 1.00 0.00 H new ATOM 0 HA ASP A 54 0.575 12.204 2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.395 10.814 -0.088 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.754 12.072 0.319 1.00 0.00 H new ATOM 374 N PHE A 55 -1.943 11.630 2.737 1.00 0.00 N ATOM 375 CA PHE A 55 -3.261 11.216 3.203 1.00 0.00 C ATOM 376 C PHE A 55 -4.196 10.951 2.026 1.00 0.00 C ATOM 377 O PHE A 55 -4.080 11.580 0.974 1.00 0.00 O ATOM 378 CB PHE A 55 -3.862 12.288 4.115 1.00 0.00 C ATOM 379 CG PHE A 55 -2.982 12.649 5.277 1.00 0.00 C ATOM 380 CD1 PHE A 55 -3.031 11.918 6.453 1.00 0.00 C ATOM 381 CD2 PHE A 55 -2.105 13.718 5.193 1.00 0.00 C ATOM 382 CE1 PHE A 55 -2.223 12.249 7.524 1.00 0.00 C ATOM 383 CE2 PHE A 55 -1.294 14.053 6.261 1.00 0.00 C ATOM 384 CZ PHE A 55 -1.352 13.317 7.427 1.00 0.00 C ATOM 0 H PHE A 55 -1.832 12.638 2.627 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.145 10.291 3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.060 13.184 3.527 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.822 11.936 4.492 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.708 11.080 6.533 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.054 14.296 4.282 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.272 11.673 8.436 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.616 14.890 6.183 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.718 13.575 8.262 1.00 0.00 H new ATOM 394 N ILE A 56 -5.121 10.015 2.212 1.00 0.00 N ATOM 395 CA ILE A 56 -6.075 9.667 1.167 1.00 0.00 C ATOM 396 C ILE A 56 -7.472 10.174 1.507 1.00 0.00 C ATOM 397 O ILE A 56 -8.248 9.488 2.173 1.00 0.00 O ATOM 398 CB ILE A 56 -6.135 8.144 0.944 1.00 0.00 C ATOM 399 CG1 ILE A 56 -4.764 7.616 0.514 1.00 0.00 C ATOM 400 CG2 ILE A 56 -7.190 7.802 -0.097 1.00 0.00 C ATOM 401 CD1 ILE A 56 -4.612 6.121 0.688 1.00 0.00 C ATOM 0 H ILE A 56 -5.230 9.485 3.076 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.729 10.147 0.252 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.411 7.664 1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.597 7.871 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.991 8.122 1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.220 6.722 -0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.165 8.149 0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.942 8.289 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.617 5.816 0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.747 5.861 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.363 5.607 0.088 1.00 0.00 H new ATOM 413 N TRP A 57 -7.787 11.379 1.045 1.00 0.00 N ATOM 414 CA TRP A 57 -9.092 11.978 1.299 1.00 0.00 C ATOM 415 C TRP A 57 -9.543 12.823 0.113 1.00 0.00 C ATOM 416 O TRP A 57 -8.721 13.391 -0.605 1.00 0.00 O ATOM 417 CB TRP A 57 -9.044 12.838 2.564 1.00 0.00 C ATOM 418 CG TRP A 57 -10.170 13.823 2.655 1.00 0.00 C ATOM 419 CD1 TRP A 57 -10.075 15.184 2.588 1.00 0.00 C ATOM 420 CD2 TRP A 57 -11.559 13.524 2.833 1.00 0.00 C ATOM 421 NE1 TRP A 57 -11.322 15.748 2.712 1.00 0.00 N ATOM 422 CE2 TRP A 57 -12.249 14.751 2.863 1.00 0.00 C ATOM 423 CE3 TRP A 57 -12.287 12.338 2.967 1.00 0.00 C ATOM 424 CZ2 TRP A 57 -13.630 14.825 3.023 1.00 0.00 C ATOM 425 CZ3 TRP A 57 -13.657 12.413 3.126 1.00 0.00 C ATOM 426 CH2 TRP A 57 -14.317 13.648 3.153 1.00 0.00 C ATOM 0 H TRP A 57 -7.157 11.960 0.493 1.00 0.00 H new ATOM 0 HA TRP A 57 -9.812 11.172 1.442 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -9.068 12.187 3.438 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -8.097 13.376 2.593 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -9.156 15.735 2.457 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -11.525 16.748 2.694 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -11.787 11.381 2.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.141 15.776 3.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.229 11.503 3.231 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -15.389 13.672 3.279 1.00 0.00 H new ATOM 437 N GLY A 58 -10.855 12.901 -0.087 1.00 0.00 N ATOM 438 CA GLY A 58 -11.392 13.679 -1.189 1.00 0.00 C ATOM 439 C GLY A 58 -12.644 13.060 -1.780 1.00 0.00 C ATOM 440 O GLY A 58 -13.016 11.941 -1.427 1.00 0.00 O ATOM 0 H GLY A 58 -11.555 12.440 0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.618 14.687 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.634 13.772 -1.967 1.00 0.00 H new ATOM 444 N ILE A 59 -13.295 13.790 -2.679 1.00 0.00 N ATOM 445 CA ILE A 59 -14.511 13.306 -3.319 1.00 0.00 C ATOM 446 C ILE A 59 -14.203 12.651 -4.662 1.00 0.00 C ATOM 447 O ILE A 59 -13.730 13.306 -5.589 1.00 0.00 O ATOM 448 CB ILE A 59 -15.525 14.445 -3.537 1.00 0.00 C ATOM 449 CG1 ILE A 59 -15.903 15.083 -2.199 1.00 0.00 C ATOM 450 CG2 ILE A 59 -16.763 13.923 -4.250 1.00 0.00 C ATOM 451 CD1 ILE A 59 -14.975 16.203 -1.780 1.00 0.00 C ATOM 0 H ILE A 59 -13.000 14.719 -2.980 1.00 0.00 H new ATOM 0 HA ILE A 59 -14.947 12.566 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 59 -15.063 15.208 -4.164 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -16.920 15.470 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -15.904 14.314 -1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -17.470 14.740 -4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -16.479 13.511 -5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -17.229 13.144 -3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -15.303 16.609 -0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -13.960 15.817 -1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.992 16.991 -2.533 1.00 0.00 H new ATOM 463 N GLY A 60 -14.477 11.353 -4.758 1.00 0.00 N ATOM 464 CA GLY A 60 -14.225 10.632 -5.991 1.00 0.00 C ATOM 465 C GLY A 60 -13.179 9.546 -5.824 1.00 0.00 C ATOM 466 O GLY A 60 -13.511 8.367 -5.703 1.00 0.00 O ATOM 0 H GLY A 60 -14.869 10.789 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.155 10.186 -6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.897 11.333 -6.758 1.00 0.00 H new ATOM 470 N LYS A 61 -11.912 9.944 -5.819 1.00 0.00 N ATOM 471 CA LYS A 61 -10.813 8.998 -5.667 1.00 0.00 C ATOM 472 C LYS A 61 -10.715 8.506 -4.226 1.00 0.00 C ATOM 473 O LYS A 61 -10.704 9.302 -3.289 1.00 0.00 O ATOM 474 CB LYS A 61 -9.492 9.647 -6.086 1.00 0.00 C ATOM 475 CG LYS A 61 -9.247 9.615 -7.584 1.00 0.00 C ATOM 476 CD LYS A 61 -8.804 8.237 -8.047 1.00 0.00 C ATOM 477 CE LYS A 61 -8.570 8.202 -9.550 1.00 0.00 C ATOM 478 NZ LYS A 61 -7.222 8.719 -9.913 1.00 0.00 N ATOM 0 H LYS A 61 -11.620 10.916 -5.919 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.011 8.142 -6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.482 10.683 -5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.671 9.138 -5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.159 9.901 -8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.485 10.350 -7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.888 7.955 -7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.562 7.501 -7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.676 7.179 -9.910 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.334 8.797 -10.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.101 8.679 -10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.130 9.704 -9.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.492 8.136 -9.456 1.00 0.00 H new ATOM 492 N GLN A 62 -10.644 7.189 -4.059 1.00 0.00 N ATOM 493 CA GLN A 62 -10.546 6.592 -2.733 1.00 0.00 C ATOM 494 C GLN A 62 -9.236 5.827 -2.575 1.00 0.00 C ATOM 495 O GLN A 62 -8.463 5.698 -3.523 1.00 0.00 O ATOM 496 CB GLN A 62 -11.730 5.656 -2.483 1.00 0.00 C ATOM 497 CG GLN A 62 -11.847 4.537 -3.506 1.00 0.00 C ATOM 498 CD GLN A 62 -13.258 3.995 -3.619 1.00 0.00 C ATOM 499 OE1 GLN A 62 -13.945 3.806 -2.615 1.00 0.00 O ATOM 500 NE2 GLN A 62 -13.699 3.742 -4.846 1.00 0.00 N ATOM 0 H GLN A 62 -10.653 6.516 -4.825 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.566 7.397 -1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.634 5.220 -1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.651 6.239 -2.488 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.524 4.905 -4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.172 3.727 -3.231 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.096 3.913 -5.650 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.641 3.376 -4.984 1.00 0.00 H new ATOM 509 N GLY A 63 -8.993 5.321 -1.370 1.00 0.00 N ATOM 510 CA GLY A 63 -7.775 4.576 -1.110 1.00 0.00 C ATOM 511 C GLY A 63 -7.994 3.076 -1.148 1.00 0.00 C ATOM 512 O GLY A 63 -8.999 2.575 -0.642 1.00 0.00 O ATOM 0 H GLY A 63 -9.618 5.414 -0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.021 4.849 -1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.382 4.858 -0.133 1.00 0.00 H new ATOM 516 N LEU A 64 -7.052 2.357 -1.749 1.00 0.00 N ATOM 517 CA LEU A 64 -7.147 0.905 -1.852 1.00 0.00 C ATOM 518 C LEU A 64 -6.367 0.227 -0.730 1.00 0.00 C ATOM 519 O LEU A 64 -5.142 0.324 -0.668 1.00 0.00 O ATOM 520 CB LEU A 64 -6.622 0.436 -3.210 1.00 0.00 C ATOM 521 CG LEU A 64 -7.210 1.135 -4.436 1.00 0.00 C ATOM 522 CD1 LEU A 64 -6.370 0.846 -5.670 1.00 0.00 C ATOM 523 CD2 LEU A 64 -8.652 0.700 -4.657 1.00 0.00 C ATOM 0 H LEU A 64 -6.214 2.756 -2.172 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.197 0.626 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.540 0.570 -3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.812 -0.633 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.198 2.210 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.804 1.352 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.354 1.207 -5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.349 -0.228 -5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.055 1.207 -5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.687 -0.378 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.248 0.959 -3.782 1.00 0.00 H new ATOM 535 N GLN A 65 -7.086 -0.459 0.152 1.00 0.00 N ATOM 536 CA GLN A 65 -6.461 -1.155 1.270 1.00 0.00 C ATOM 537 C GLN A 65 -6.233 -2.626 0.938 1.00 0.00 C ATOM 538 O GLN A 65 -7.060 -3.261 0.283 1.00 0.00 O ATOM 539 CB GLN A 65 -7.328 -1.032 2.524 1.00 0.00 C ATOM 540 CG GLN A 65 -6.844 -1.884 3.686 1.00 0.00 C ATOM 541 CD GLN A 65 -5.657 -1.273 4.403 1.00 0.00 C ATOM 542 OE1 GLN A 65 -4.523 -1.351 3.930 1.00 0.00 O ATOM 543 NE2 GLN A 65 -5.912 -0.659 5.553 1.00 0.00 N ATOM 0 H GLN A 65 -8.101 -0.548 0.114 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.493 -0.690 1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.354 0.012 2.836 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.351 -1.317 2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.660 -2.022 4.395 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.571 -2.873 3.318 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.867 -0.618 5.908 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.153 -0.229 6.081 1.00 0.00 H new ATOM 552 N CYS A 66 -5.105 -3.162 1.393 1.00 0.00 N ATOM 553 CA CYS A 66 -4.767 -4.558 1.144 1.00 0.00 C ATOM 554 C CYS A 66 -5.339 -5.459 2.235 1.00 0.00 C ATOM 555 O CYS A 66 -5.258 -5.142 3.421 1.00 0.00 O ATOM 556 CB CYS A 66 -3.249 -4.731 1.069 1.00 0.00 C ATOM 557 SG CYS A 66 -2.702 -6.466 0.975 1.00 0.00 S ATOM 0 H CYS A 66 -4.410 -2.650 1.936 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.207 -4.848 0.190 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.876 -4.196 0.196 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.797 -4.266 1.945 1.00 0.00 H new ATOM 562 N GLN A 67 -5.915 -6.584 1.823 1.00 0.00 N ATOM 563 CA GLN A 67 -6.501 -7.531 2.765 1.00 0.00 C ATOM 564 C GLN A 67 -5.467 -8.555 3.220 1.00 0.00 C ATOM 565 O GLN A 67 -5.804 -9.701 3.520 1.00 0.00 O ATOM 566 CB GLN A 67 -7.696 -8.242 2.129 1.00 0.00 C ATOM 567 CG GLN A 67 -8.758 -7.292 1.597 1.00 0.00 C ATOM 568 CD GLN A 67 -10.100 -7.968 1.401 1.00 0.00 C ATOM 569 OE1 GLN A 67 -11.040 -7.741 2.163 1.00 0.00 O ATOM 570 NE2 GLN A 67 -10.197 -8.805 0.374 1.00 0.00 N ATOM 0 H GLN A 67 -5.988 -6.862 0.844 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.842 -6.974 3.638 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.341 -8.871 1.312 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.149 -8.904 2.867 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.873 -6.458 2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.424 -6.874 0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.392 -8.964 -0.232 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.076 -9.289 0.192 1.00 0.00 H new ATOM 579 N VAL A 68 -4.207 -8.136 3.269 1.00 0.00 N ATOM 580 CA VAL A 68 -3.124 -9.017 3.689 1.00 0.00 C ATOM 581 C VAL A 68 -2.215 -8.328 4.700 1.00 0.00 C ATOM 582 O VAL A 68 -2.144 -8.729 5.862 1.00 0.00 O ATOM 583 CB VAL A 68 -2.278 -9.478 2.486 1.00 0.00 C ATOM 584 CG1 VAL A 68 -1.231 -10.490 2.927 1.00 0.00 C ATOM 585 CG2 VAL A 68 -3.171 -10.061 1.401 1.00 0.00 C ATOM 0 H VAL A 68 -3.911 -7.191 3.023 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.586 -9.887 4.155 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.761 -8.612 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.643 -10.804 2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.574 -10.034 3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.725 -11.357 3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.558 -10.382 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.716 -10.917 1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.879 -9.303 1.066 1.00 0.00 H new ATOM 595 N CYS A 69 -1.521 -7.287 4.251 1.00 0.00 N ATOM 596 CA CYS A 69 -0.616 -6.540 5.116 1.00 0.00 C ATOM 597 C CYS A 69 -1.200 -5.174 5.464 1.00 0.00 C ATOM 598 O CYS A 69 -0.466 -4.234 5.772 1.00 0.00 O ATOM 599 CB CYS A 69 0.745 -6.368 4.439 1.00 0.00 C ATOM 600 SG CYS A 69 0.654 -5.691 2.750 1.00 0.00 S ATOM 0 H CYS A 69 -1.568 -6.942 3.292 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.486 -7.106 6.039 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.362 -5.710 5.050 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.247 -7.335 4.405 1.00 0.00 H new ATOM 605 N SER A 70 -2.524 -5.071 5.412 1.00 0.00 N ATOM 606 CA SER A 70 -3.206 -3.820 5.718 1.00 0.00 C ATOM 607 C SER A 70 -2.520 -2.644 5.029 1.00 0.00 C ATOM 608 O SER A 70 -2.554 -1.516 5.520 1.00 0.00 O ATOM 609 CB SER A 70 -3.241 -3.589 7.230 1.00 0.00 C ATOM 610 OG SER A 70 -4.357 -4.235 7.818 1.00 0.00 O ATOM 0 H SER A 70 -3.146 -5.840 5.161 1.00 0.00 H new ATOM 0 HA SER A 70 -4.228 -3.892 5.345 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.321 -3.963 7.680 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.285 -2.520 7.437 1.00 0.00 H new ATOM 0 HG SER A 70 -4.356 -4.074 8.785 1.00 0.00 H new ATOM 616 N PHE A 71 -1.897 -2.918 3.887 1.00 0.00 N ATOM 617 CA PHE A 71 -1.200 -1.884 3.130 1.00 0.00 C ATOM 618 C PHE A 71 -2.172 -1.116 2.238 1.00 0.00 C ATOM 619 O PHE A 71 -2.639 -1.630 1.222 1.00 0.00 O ATOM 620 CB PHE A 71 -0.092 -2.506 2.278 1.00 0.00 C ATOM 621 CG PHE A 71 0.795 -1.491 1.614 1.00 0.00 C ATOM 622 CD1 PHE A 71 1.762 -0.816 2.341 1.00 0.00 C ATOM 623 CD2 PHE A 71 0.661 -1.212 0.264 1.00 0.00 C ATOM 624 CE1 PHE A 71 2.579 0.119 1.733 1.00 0.00 C ATOM 625 CE2 PHE A 71 1.475 -0.279 -0.350 1.00 0.00 C ATOM 626 CZ PHE A 71 2.436 0.387 0.386 1.00 0.00 C ATOM 0 H PHE A 71 -1.861 -3.846 3.466 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.755 -1.186 3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.518 -3.154 2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.544 -3.138 1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.879 -1.023 3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -0.089 -1.730 -0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.328 0.639 2.311 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.360 -0.071 -1.404 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.074 1.116 -0.091 1.00 0.00 H new ATOM 636 N VAL A 72 -2.471 0.120 2.627 1.00 0.00 N ATOM 637 CA VAL A 72 -3.386 0.960 1.864 1.00 0.00 C ATOM 638 C VAL A 72 -2.661 2.162 1.268 1.00 0.00 C ATOM 639 O VAL A 72 -1.976 2.901 1.976 1.00 0.00 O ATOM 640 CB VAL A 72 -4.551 1.460 2.739 1.00 0.00 C ATOM 641 CG1 VAL A 72 -4.025 2.230 3.941 1.00 0.00 C ATOM 642 CG2 VAL A 72 -5.502 2.319 1.919 1.00 0.00 C ATOM 0 H VAL A 72 -2.093 0.561 3.465 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.785 0.343 1.059 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.104 0.595 3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.863 2.575 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.388 1.579 4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.447 3.088 3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.319 2.664 2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.964 3.179 1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.905 1.730 1.095 1.00 0.00 H new ATOM 652 N VAL A 73 -2.817 2.352 -0.038 1.00 0.00 N ATOM 653 CA VAL A 73 -2.179 3.465 -0.730 1.00 0.00 C ATOM 654 C VAL A 73 -3.064 3.994 -1.853 1.00 0.00 C ATOM 655 O VAL A 73 -3.888 3.264 -2.405 1.00 0.00 O ATOM 656 CB VAL A 73 -0.815 3.054 -1.316 1.00 0.00 C ATOM 657 CG1 VAL A 73 0.153 2.680 -0.204 1.00 0.00 C ATOM 658 CG2 VAL A 73 -0.982 1.904 -2.298 1.00 0.00 C ATOM 0 H VAL A 73 -3.380 1.749 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.026 4.251 0.009 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.400 3.905 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.111 2.392 -0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.296 3.535 0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.253 1.844 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.009 1.627 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.419 1.048 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.638 2.213 -3.112 1.00 0.00 H new ATOM 668 N HIS A 74 -2.887 5.268 -2.188 1.00 0.00 N ATOM 669 CA HIS A 74 -3.669 5.895 -3.248 1.00 0.00 C ATOM 670 C HIS A 74 -3.978 4.897 -4.359 1.00 0.00 C ATOM 671 O HIS A 74 -3.226 3.948 -4.581 1.00 0.00 O ATOM 672 CB HIS A 74 -2.919 7.098 -3.821 1.00 0.00 C ATOM 673 CG HIS A 74 -2.876 8.274 -2.895 1.00 0.00 C ATOM 674 ND1 HIS A 74 -1.703 8.782 -2.377 1.00 0.00 N ATOM 675 CD2 HIS A 74 -3.871 9.045 -2.396 1.00 0.00 C ATOM 676 CE1 HIS A 74 -1.979 9.812 -1.598 1.00 0.00 C ATOM 677 NE2 HIS A 74 -3.287 9.993 -1.593 1.00 0.00 N ATOM 0 H HIS A 74 -2.210 5.886 -1.741 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.611 6.235 -2.817 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.899 6.799 -4.062 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.392 7.399 -4.756 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.927 8.935 -2.593 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.257 10.406 -1.057 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.783 10.719 -1.076 1.00 0.00 H new ATOM 685 N ARG A 75 -5.089 5.117 -5.054 1.00 0.00 N ATOM 686 CA ARG A 75 -5.498 4.235 -6.140 1.00 0.00 C ATOM 687 C ARG A 75 -4.373 4.066 -7.157 1.00 0.00 C ATOM 688 O ARG A 75 -4.045 2.948 -7.555 1.00 0.00 O ATOM 689 CB ARG A 75 -6.746 4.788 -6.832 1.00 0.00 C ATOM 690 CG ARG A 75 -7.492 3.754 -7.660 1.00 0.00 C ATOM 691 CD ARG A 75 -8.541 4.404 -8.548 1.00 0.00 C ATOM 692 NE ARG A 75 -8.895 3.559 -9.686 1.00 0.00 N ATOM 693 CZ ARG A 75 -9.815 3.885 -10.586 1.00 0.00 C ATOM 694 NH1 ARG A 75 -10.471 5.033 -10.482 1.00 0.00 N ATOM 695 NH2 ARG A 75 -10.081 3.063 -11.593 1.00 0.00 N ATOM 0 H ARG A 75 -5.722 5.899 -4.884 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.729 3.259 -5.714 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.421 5.192 -6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.456 5.617 -7.477 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.784 3.200 -8.277 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.971 3.032 -6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.435 4.613 -7.960 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.167 5.361 -8.910 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.408 2.669 -9.795 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.269 5.668 -9.709 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.177 5.281 -11.175 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.578 2.179 -11.676 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.788 3.315 -12.284 1.00 0.00 H new ATOM 709 N ARG A 76 -3.785 5.183 -7.572 1.00 0.00 N ATOM 710 CA ARG A 76 -2.698 5.159 -8.543 1.00 0.00 C ATOM 711 C ARG A 76 -1.438 4.549 -7.934 1.00 0.00 C ATOM 712 O ARG A 76 -0.831 3.647 -8.511 1.00 0.00 O ATOM 713 CB ARG A 76 -2.401 6.574 -9.044 1.00 0.00 C ATOM 714 CG ARG A 76 -1.994 7.538 -7.941 1.00 0.00 C ATOM 715 CD ARG A 76 -1.787 8.945 -8.479 1.00 0.00 C ATOM 716 NE ARG A 76 -0.975 9.760 -7.580 1.00 0.00 N ATOM 717 CZ ARG A 76 -1.478 10.473 -6.578 1.00 0.00 C ATOM 718 NH1 ARG A 76 -2.784 10.469 -6.348 1.00 0.00 N ATOM 719 NH2 ARG A 76 -0.675 11.190 -5.803 1.00 0.00 N ATOM 0 H ARG A 76 -4.043 6.116 -7.251 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.010 4.541 -9.385 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.604 6.528 -9.787 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.285 6.965 -9.549 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.762 7.552 -7.167 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.075 7.188 -7.471 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.305 8.893 -9.455 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.755 9.423 -8.626 1.00 0.00 H new ATOM 0 HE ARG A 76 0.034 9.783 -7.729 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.405 9.918 -6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.168 11.017 -5.578 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.330 11.195 -5.976 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.063 11.737 -5.034 1.00 0.00 H new ATOM 733 N CYS A 77 -1.052 5.048 -6.764 1.00 0.00 N ATOM 734 CA CYS A 77 0.135 4.555 -6.077 1.00 0.00 C ATOM 735 C CYS A 77 0.223 3.034 -6.167 1.00 0.00 C ATOM 736 O CYS A 77 1.305 2.473 -6.343 1.00 0.00 O ATOM 737 CB CYS A 77 0.118 4.990 -4.610 1.00 0.00 C ATOM 738 SG CYS A 77 0.672 6.703 -4.336 1.00 0.00 S ATOM 0 H CYS A 77 -1.545 5.794 -6.272 1.00 0.00 H new ATOM 0 HA CYS A 77 1.011 4.982 -6.566 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.894 4.880 -4.221 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.755 4.317 -4.035 1.00 0.00 H new ATOM 743 N HIS A 78 -0.924 2.372 -6.044 1.00 0.00 N ATOM 744 CA HIS A 78 -0.977 0.916 -6.112 1.00 0.00 C ATOM 745 C HIS A 78 -0.060 0.390 -7.212 1.00 0.00 C ATOM 746 O HIS A 78 0.982 -0.202 -6.934 1.00 0.00 O ATOM 747 CB HIS A 78 -2.412 0.449 -6.361 1.00 0.00 C ATOM 748 CG HIS A 78 -2.498 -0.889 -7.029 1.00 0.00 C ATOM 749 ND1 HIS A 78 -1.482 -1.820 -6.985 1.00 0.00 N ATOM 750 CD2 HIS A 78 -3.490 -1.451 -7.759 1.00 0.00 C ATOM 751 CE1 HIS A 78 -1.843 -2.896 -7.660 1.00 0.00 C ATOM 752 NE2 HIS A 78 -3.058 -2.698 -8.139 1.00 0.00 N ATOM 0 H HIS A 78 -1.828 2.821 -5.897 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.634 0.519 -5.157 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -2.942 0.406 -5.409 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.924 1.188 -6.978 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.443 -1.003 -7.998 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -1.247 -3.786 -7.797 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -3.589 -3.364 -8.700 1.00 0.00 H new ATOM 760 N GLU A 79 -0.457 0.609 -8.462 1.00 0.00 N ATOM 761 CA GLU A 79 0.329 0.155 -9.603 1.00 0.00 C ATOM 762 C GLU A 79 1.812 0.448 -9.393 1.00 0.00 C ATOM 763 O GLU A 79 2.672 -0.355 -9.756 1.00 0.00 O ATOM 764 CB GLU A 79 -0.158 0.830 -10.887 1.00 0.00 C ATOM 765 CG GLU A 79 0.334 2.258 -11.049 1.00 0.00 C ATOM 766 CD GLU A 79 -0.579 3.094 -11.926 1.00 0.00 C ATOM 767 OE1 GLU A 79 -0.790 2.714 -13.096 1.00 0.00 O ATOM 768 OE2 GLU A 79 -1.082 4.129 -11.440 1.00 0.00 O ATOM 0 H GLU A 79 -1.317 1.098 -8.710 1.00 0.00 H new ATOM 0 HA GLU A 79 0.198 -0.923 -9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.171 0.242 -11.744 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.248 0.827 -10.898 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.415 2.724 -10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.335 2.247 -11.480 1.00 0.00 H new ATOM 775 N PHE A 80 2.104 1.603 -8.805 1.00 0.00 N ATOM 776 CA PHE A 80 3.482 2.004 -8.548 1.00 0.00 C ATOM 777 C PHE A 80 4.112 1.125 -7.471 1.00 0.00 C ATOM 778 O PHE A 80 5.300 0.807 -7.529 1.00 0.00 O ATOM 779 CB PHE A 80 3.538 3.472 -8.121 1.00 0.00 C ATOM 780 CG PHE A 80 3.387 4.435 -9.264 1.00 0.00 C ATOM 781 CD1 PHE A 80 4.230 4.365 -10.361 1.00 0.00 C ATOM 782 CD2 PHE A 80 2.404 5.410 -9.240 1.00 0.00 C ATOM 783 CE1 PHE A 80 4.094 5.249 -11.415 1.00 0.00 C ATOM 784 CE2 PHE A 80 2.263 6.297 -10.291 1.00 0.00 C ATOM 785 CZ PHE A 80 3.110 6.217 -11.379 1.00 0.00 C ATOM 0 H PHE A 80 1.404 2.278 -8.497 1.00 0.00 H new ATOM 0 HA PHE A 80 4.048 1.880 -9.471 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.750 3.660 -7.391 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.488 3.661 -7.621 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.003 3.611 -10.393 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.740 5.478 -8.391 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.756 5.183 -12.265 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.491 7.052 -10.261 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.003 6.910 -12.200 1.00 0.00 H new ATOM 795 N VAL A 81 3.306 0.735 -6.488 1.00 0.00 N ATOM 796 CA VAL A 81 3.783 -0.107 -5.398 1.00 0.00 C ATOM 797 C VAL A 81 4.702 -1.208 -5.915 1.00 0.00 C ATOM 798 O VAL A 81 4.385 -1.889 -6.891 1.00 0.00 O ATOM 799 CB VAL A 81 2.611 -0.749 -4.631 1.00 0.00 C ATOM 800 CG1 VAL A 81 3.126 -1.758 -3.615 1.00 0.00 C ATOM 801 CG2 VAL A 81 1.769 0.320 -3.953 1.00 0.00 C ATOM 0 H VAL A 81 2.320 0.989 -6.425 1.00 0.00 H new ATOM 0 HA VAL A 81 4.341 0.539 -4.720 1.00 0.00 H new ATOM 0 HB VAL A 81 1.979 -1.278 -5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.284 -2.201 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.682 -2.541 -4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.781 -1.256 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.946 -0.151 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.387 0.879 -3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.369 1.000 -4.705 1.00 0.00 H new ATOM 811 N THR A 82 5.843 -1.379 -5.254 1.00 0.00 N ATOM 812 CA THR A 82 6.809 -2.397 -5.647 1.00 0.00 C ATOM 813 C THR A 82 6.947 -3.468 -4.571 1.00 0.00 C ATOM 814 O THR A 82 6.979 -4.662 -4.870 1.00 0.00 O ATOM 815 CB THR A 82 8.193 -1.781 -5.924 1.00 0.00 C ATOM 816 OG1 THR A 82 8.616 -1.003 -4.799 1.00 0.00 O ATOM 817 CG2 THR A 82 8.157 -0.906 -7.168 1.00 0.00 C ATOM 0 H THR A 82 6.120 -0.825 -4.444 1.00 0.00 H new ATOM 0 HA THR A 82 6.433 -2.853 -6.563 1.00 0.00 H new ATOM 0 HB THR A 82 8.901 -2.593 -6.091 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.498 -0.616 -4.982 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.146 -0.482 -7.343 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.863 -1.508 -8.028 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.437 -0.100 -7.025 1.00 0.00 H new ATOM 825 N PHE A 83 7.028 -3.034 -3.318 1.00 0.00 N ATOM 826 CA PHE A 83 7.164 -3.956 -2.197 1.00 0.00 C ATOM 827 C PHE A 83 6.230 -5.152 -2.360 1.00 0.00 C ATOM 828 O PHE A 83 5.015 -4.991 -2.478 1.00 0.00 O ATOM 829 CB PHE A 83 6.866 -3.238 -0.879 1.00 0.00 C ATOM 830 CG PHE A 83 6.680 -4.171 0.284 1.00 0.00 C ATOM 831 CD1 PHE A 83 7.730 -4.957 0.732 1.00 0.00 C ATOM 832 CD2 PHE A 83 5.457 -4.262 0.927 1.00 0.00 C ATOM 833 CE1 PHE A 83 7.563 -5.816 1.802 1.00 0.00 C ATOM 834 CE2 PHE A 83 5.284 -5.119 1.998 1.00 0.00 C ATOM 835 CZ PHE A 83 6.338 -5.898 2.435 1.00 0.00 C ATOM 0 H PHE A 83 7.002 -2.049 -3.053 1.00 0.00 H new ATOM 0 HA PHE A 83 8.192 -4.319 -2.181 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.682 -2.551 -0.656 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.966 -2.635 -0.998 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.689 -4.898 0.240 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.629 -3.657 0.588 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.389 -6.422 2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.326 -5.179 2.493 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.204 -6.570 3.270 1.00 0.00 H new ATOM 845 N GLU A 84 6.806 -6.349 -2.367 1.00 0.00 N ATOM 846 CA GLU A 84 6.026 -7.572 -2.517 1.00 0.00 C ATOM 847 C GLU A 84 5.256 -7.886 -1.238 1.00 0.00 C ATOM 848 O GLU A 84 5.805 -7.825 -0.137 1.00 0.00 O ATOM 849 CB GLU A 84 6.939 -8.746 -2.877 1.00 0.00 C ATOM 850 CG GLU A 84 6.249 -9.824 -3.697 1.00 0.00 C ATOM 851 CD GLU A 84 7.216 -10.602 -4.567 1.00 0.00 C ATOM 852 OE1 GLU A 84 8.111 -11.271 -4.010 1.00 0.00 O ATOM 853 OE2 GLU A 84 7.077 -10.542 -5.807 1.00 0.00 O ATOM 0 H GLU A 84 7.810 -6.499 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 84 5.310 -7.418 -3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.797 -8.370 -3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.325 -9.190 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.735 -10.512 -3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.488 -9.365 -4.327 1.00 0.00 H new ATOM 860 N CYS A 85 3.979 -8.223 -1.390 1.00 0.00 N ATOM 861 CA CYS A 85 3.132 -8.546 -0.249 1.00 0.00 C ATOM 862 C CYS A 85 3.713 -9.711 0.548 1.00 0.00 C ATOM 863 O CYS A 85 4.123 -10.731 -0.006 1.00 0.00 O ATOM 864 CB CYS A 85 1.717 -8.891 -0.719 1.00 0.00 C ATOM 865 SG CYS A 85 0.437 -8.683 0.560 1.00 0.00 S ATOM 0 H CYS A 85 3.509 -8.279 -2.293 1.00 0.00 H new ATOM 0 HA CYS A 85 3.089 -7.671 0.399 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.467 -8.263 -1.574 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.703 -9.924 -1.067 1.00 0.00 H new ATOM 870 N PRO A 86 3.750 -9.556 1.880 1.00 0.00 N ATOM 871 CA PRO A 86 4.278 -10.584 2.782 1.00 0.00 C ATOM 872 C PRO A 86 3.378 -11.813 2.851 1.00 0.00 C ATOM 873 O PRO A 86 3.832 -12.939 2.656 1.00 0.00 O ATOM 874 CB PRO A 86 4.323 -9.877 4.138 1.00 0.00 C ATOM 875 CG PRO A 86 3.286 -8.811 4.044 1.00 0.00 C ATOM 876 CD PRO A 86 3.278 -8.366 2.608 1.00 0.00 C ATOM 0 HA PRO A 86 5.246 -10.960 2.450 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.107 -10.569 4.952 1.00 0.00 H new ATOM 0 HB3 PRO A 86 5.309 -9.454 4.332 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.308 -9.191 4.340 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.520 -7.979 4.709 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.281 -8.067 2.285 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.935 -7.511 2.449 1.00 0.00 H new ATOM 884 N GLY A 87 2.097 -11.588 3.130 1.00 0.00 N ATOM 885 CA GLY A 87 1.153 -12.687 3.219 1.00 0.00 C ATOM 886 C GLY A 87 0.941 -13.378 1.887 1.00 0.00 C ATOM 887 O GLY A 87 1.641 -14.336 1.558 1.00 0.00 O ATOM 0 H GLY A 87 1.697 -10.665 3.296 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.513 -13.413 3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.198 -12.313 3.587 1.00 0.00 H new ATOM 891 N ALA A 88 -0.029 -12.894 1.118 1.00 0.00 N ATOM 892 CA ALA A 88 -0.332 -13.471 -0.185 1.00 0.00 C ATOM 893 C ALA A 88 0.933 -13.988 -0.863 1.00 0.00 C ATOM 894 O ALA A 88 2.025 -13.469 -0.640 1.00 0.00 O ATOM 895 CB ALA A 88 -1.025 -12.446 -1.069 1.00 0.00 C ATOM 0 H ALA A 88 -0.619 -12.103 1.376 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.004 -14.316 -0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.245 -12.892 -2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.954 -12.127 -0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.373 -11.583 -1.206 1.00 0.00 H new ATOM 901 N GLY A 89 0.776 -15.016 -1.693 1.00 0.00 N ATOM 902 CA GLY A 89 1.914 -15.586 -2.390 1.00 0.00 C ATOM 903 C GLY A 89 2.113 -17.054 -2.070 1.00 0.00 C ATOM 904 O GLY A 89 2.233 -17.433 -0.905 1.00 0.00 O ATOM 0 H GLY A 89 -0.118 -15.463 -1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.775 -15.467 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.815 -15.033 -2.122 1.00 0.00 H new ATOM 908 N LYS A 90 2.148 -17.884 -3.107 1.00 0.00 N ATOM 909 CA LYS A 90 2.333 -19.320 -2.933 1.00 0.00 C ATOM 910 C LYS A 90 3.675 -19.768 -3.502 1.00 0.00 C ATOM 911 O LYS A 90 3.760 -20.198 -4.652 1.00 0.00 O ATOM 912 CB LYS A 90 1.197 -20.088 -3.612 1.00 0.00 C ATOM 913 CG LYS A 90 1.287 -21.593 -3.430 1.00 0.00 C ATOM 914 CD LYS A 90 0.618 -22.041 -2.141 1.00 0.00 C ATOM 915 CE LYS A 90 1.226 -23.333 -1.617 1.00 0.00 C ATOM 916 NZ LYS A 90 0.688 -24.526 -2.326 1.00 0.00 N ATOM 0 H LYS A 90 2.051 -17.586 -4.078 1.00 0.00 H new ATOM 0 HA LYS A 90 2.321 -19.536 -1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.244 -19.739 -3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.200 -19.858 -4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.816 -22.091 -4.277 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.334 -21.897 -3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.717 -21.259 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.449 -22.184 -2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.309 -23.299 -1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.024 -23.423 -0.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.127 -25.386 -1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.342 -24.573 -2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.903 -24.453 -3.341 1.00 0.00 H new ATOM 930 N GLY A 91 4.722 -19.667 -2.689 1.00 0.00 N ATOM 931 CA GLY A 91 6.046 -20.067 -3.130 1.00 0.00 C ATOM 932 C GLY A 91 6.900 -20.596 -1.995 1.00 0.00 C ATOM 933 O GLY A 91 6.673 -21.690 -1.476 1.00 0.00 O ATOM 0 H GLY A 91 4.677 -19.315 -1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.953 -20.834 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.546 -19.214 -3.589 1.00 0.00 H new ATOM 937 N PRO A 92 7.909 -19.810 -1.592 1.00 0.00 N ATOM 938 CA PRO A 92 8.821 -20.185 -0.508 1.00 0.00 C ATOM 939 C PRO A 92 8.138 -20.171 0.855 1.00 0.00 C ATOM 940 O PRO A 92 7.288 -19.322 1.125 1.00 0.00 O ATOM 941 CB PRO A 92 9.909 -19.110 -0.571 1.00 0.00 C ATOM 942 CG PRO A 92 9.243 -17.934 -1.197 1.00 0.00 C ATOM 943 CD PRO A 92 8.237 -18.493 -2.165 1.00 0.00 C ATOM 0 HA PRO A 92 9.199 -21.201 -0.627 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.286 -18.869 0.423 1.00 0.00 H new ATOM 0 HB3 PRO A 92 10.762 -19.444 -1.163 1.00 0.00 H new ATOM 0 HG2 PRO A 92 8.757 -17.314 -0.444 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.968 -17.302 -1.710 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.355 -17.857 -2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 92 8.652 -18.583 -3.169 1.00 0.00 H new ATOM 951 N GLN A 93 8.514 -21.117 1.710 1.00 0.00 N ATOM 952 CA GLN A 93 7.936 -21.212 3.046 1.00 0.00 C ATOM 953 C GLN A 93 7.980 -19.863 3.756 1.00 0.00 C ATOM 954 O GLN A 93 8.968 -19.133 3.666 1.00 0.00 O ATOM 955 CB GLN A 93 8.681 -22.262 3.873 1.00 0.00 C ATOM 956 CG GLN A 93 8.019 -22.566 5.207 1.00 0.00 C ATOM 957 CD GLN A 93 6.540 -22.867 5.070 1.00 0.00 C ATOM 958 OE1 GLN A 93 6.072 -23.263 4.002 1.00 0.00 O ATOM 959 NE2 GLN A 93 5.794 -22.679 6.152 1.00 0.00 N ATOM 0 H GLN A 93 9.215 -21.828 1.502 1.00 0.00 H new ATOM 0 HA GLN A 93 6.894 -21.513 2.943 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.754 -23.183 3.295 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.699 -21.916 4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.518 -23.418 5.670 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.152 -21.716 5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.223 -22.350 7.017 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.791 -22.864 6.119 1.00 0.00 H new ATOM 968 N THR A 94 6.902 -19.536 4.462 1.00 0.00 N ATOM 969 CA THR A 94 6.816 -18.275 5.186 1.00 0.00 C ATOM 970 C THR A 94 6.563 -18.509 6.671 1.00 0.00 C ATOM 971 O THR A 94 5.881 -19.460 7.051 1.00 0.00 O ATOM 972 CB THR A 94 5.698 -17.378 4.621 1.00 0.00 C ATOM 973 OG1 THR A 94 5.947 -17.095 3.240 1.00 0.00 O ATOM 974 CG2 THR A 94 5.603 -16.075 5.402 1.00 0.00 C ATOM 0 H THR A 94 6.076 -20.128 4.547 1.00 0.00 H new ATOM 0 HA THR A 94 7.775 -17.772 5.059 1.00 0.00 H new ATOM 0 HB THR A 94 4.752 -17.911 4.717 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.231 -16.526 2.888 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.807 -15.458 4.985 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.384 -16.293 6.447 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.550 -15.540 5.334 1.00 0.00 H new ATOM 982 N ASP A 95 7.116 -17.636 7.505 1.00 0.00 N ATOM 983 CA ASP A 95 6.948 -17.747 8.950 1.00 0.00 C ATOM 984 C ASP A 95 5.933 -16.728 9.459 1.00 0.00 C ATOM 985 O ASP A 95 6.302 -15.667 9.962 1.00 0.00 O ATOM 986 CB ASP A 95 8.290 -17.546 9.657 1.00 0.00 C ATOM 987 CG ASP A 95 8.223 -17.888 11.132 1.00 0.00 C ATOM 988 OD1 ASP A 95 7.512 -17.179 11.875 1.00 0.00 O ATOM 989 OD2 ASP A 95 8.881 -18.866 11.544 1.00 0.00 O ATOM 0 H ASP A 95 7.684 -16.844 7.206 1.00 0.00 H new ATOM 0 HA ASP A 95 6.575 -18.747 9.172 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.047 -18.166 9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.607 -16.510 9.541 1.00 0.00 H new ATOM 994 N ASP A 96 4.653 -17.058 9.323 1.00 0.00 N ATOM 995 CA ASP A 96 3.584 -16.172 9.769 1.00 0.00 C ATOM 996 C ASP A 96 2.498 -16.956 10.500 1.00 0.00 C ATOM 997 O ASP A 96 2.312 -18.154 10.284 1.00 0.00 O ATOM 998 CB ASP A 96 2.979 -15.427 8.578 1.00 0.00 C ATOM 999 CG ASP A 96 1.903 -16.233 7.877 1.00 0.00 C ATOM 1000 OD1 ASP A 96 2.098 -17.454 7.698 1.00 0.00 O ATOM 1001 OD2 ASP A 96 0.866 -15.644 7.509 1.00 0.00 O ATOM 0 H ASP A 96 4.331 -17.932 8.908 1.00 0.00 H new ATOM 0 HA ASP A 96 4.012 -15.447 10.461 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.556 -14.483 8.921 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.768 -15.184 7.867 1.00 0.00 H new ATOM 1006 N PRO A 97 1.765 -16.266 11.386 1.00 0.00 N ATOM 1007 CA PRO A 97 0.685 -16.878 12.167 1.00 0.00 C ATOM 1008 C PRO A 97 -0.519 -17.242 11.305 1.00 0.00 C ATOM 1009 O PRO A 97 -1.629 -17.407 11.811 1.00 0.00 O ATOM 1010 CB PRO A 97 0.313 -15.786 13.173 1.00 0.00 C ATOM 1011 CG PRO A 97 0.715 -14.511 12.515 1.00 0.00 C ATOM 1012 CD PRO A 97 1.932 -14.836 11.693 1.00 0.00 C ATOM 0 HA PRO A 97 0.996 -17.815 12.630 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.754 -15.798 13.394 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.836 -15.925 14.119 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.088 -14.125 11.887 1.00 0.00 H new ATOM 0 HG3 PRO A 97 0.938 -13.743 13.256 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.977 -14.233 10.786 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.852 -14.649 12.246 1.00 0.00 H new ATOM 1020 N ARG A 98 -0.292 -17.366 10.001 1.00 0.00 N ATOM 1021 CA ARG A 98 -1.359 -17.710 9.070 1.00 0.00 C ATOM 1022 C ARG A 98 -2.380 -18.632 9.729 1.00 0.00 C ATOM 1023 O ARG A 98 -2.044 -19.411 10.620 1.00 0.00 O ATOM 1024 CB ARG A 98 -0.780 -18.381 7.823 1.00 0.00 C ATOM 1025 CG ARG A 98 -0.101 -19.711 8.106 1.00 0.00 C ATOM 1026 CD ARG A 98 0.809 -20.127 6.961 1.00 0.00 C ATOM 1027 NE ARG A 98 0.088 -20.218 5.695 1.00 0.00 N ATOM 1028 CZ ARG A 98 0.544 -20.877 4.635 1.00 0.00 C ATOM 1029 NH1 ARG A 98 1.714 -21.499 4.690 1.00 0.00 N ATOM 1030 NH2 ARG A 98 -0.170 -20.915 3.518 1.00 0.00 N ATOM 0 H ARG A 98 0.621 -17.233 9.566 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.863 -16.789 8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.581 -18.538 7.100 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.060 -17.707 7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.480 -19.636 9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.857 -20.479 8.269 1.00 0.00 H new ATOM 0 HD2 ARG A 98 1.622 -19.407 6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 98 1.262 -21.091 7.190 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.815 -19.750 5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 98 2.266 -21.472 5.547 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.062 -22.004 3.875 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.070 -20.438 3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.181 -21.421 2.705 1.00 0.00 H new ATOM 1044 N ASN A 99 -3.629 -18.538 9.285 1.00 0.00 N ATOM 1045 CA ASN A 99 -4.700 -19.363 9.832 1.00 0.00 C ATOM 1046 C ASN A 99 -4.457 -20.839 9.532 1.00 0.00 C ATOM 1047 O ASN A 99 -4.361 -21.240 8.372 1.00 0.00 O ATOM 1048 CB ASN A 99 -6.051 -18.930 9.259 1.00 0.00 C ATOM 1049 CG ASN A 99 -7.213 -19.344 10.140 1.00 0.00 C ATOM 1050 OD1 ASN A 99 -7.977 -20.245 9.796 1.00 0.00 O ATOM 1051 ND2 ASN A 99 -7.351 -18.684 11.285 1.00 0.00 N ATOM 0 H ASN A 99 -3.925 -17.898 8.547 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.712 -19.227 10.913 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.060 -17.847 9.136 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -6.178 -19.364 8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.115 -18.918 11.920 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -6.693 -17.944 11.529 1.00 0.00 H new ATOM 1058 N LYS A 100 -4.360 -21.643 10.585 1.00 0.00 N ATOM 1059 CA LYS A 100 -4.130 -23.076 10.435 1.00 0.00 C ATOM 1060 C LYS A 100 -5.191 -23.706 9.539 1.00 0.00 C ATOM 1061 O LYS A 100 -6.377 -23.710 9.872 1.00 0.00 O ATOM 1062 CB LYS A 100 -4.133 -23.759 11.805 1.00 0.00 C ATOM 1063 CG LYS A 100 -3.572 -25.170 11.781 1.00 0.00 C ATOM 1064 CD LYS A 100 -4.068 -25.987 12.963 1.00 0.00 C ATOM 1065 CE LYS A 100 -3.149 -27.165 13.251 1.00 0.00 C ATOM 1066 NZ LYS A 100 -3.199 -28.184 12.167 1.00 0.00 N ATOM 0 H LYS A 100 -4.437 -21.327 11.552 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.155 -23.216 9.968 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.551 -23.157 12.503 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.154 -23.789 12.185 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.860 -25.661 10.851 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.483 -25.130 11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.133 -25.350 13.845 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.075 -26.351 12.758 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.126 -26.808 13.367 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.435 -27.626 14.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.560 -28.970 12.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.170 -28.544 12.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.902 -27.751 11.269 1.00 0.00 H new ATOM 1080 N HIS A 101 -4.758 -24.240 8.401 1.00 0.00 N ATOM 1081 CA HIS A 101 -5.671 -24.875 7.458 1.00 0.00 C ATOM 1082 C HIS A 101 -5.254 -26.317 7.186 1.00 0.00 C ATOM 1083 O HIS A 101 -4.065 -26.630 7.124 1.00 0.00 O ATOM 1084 CB HIS A 101 -5.713 -24.089 6.148 1.00 0.00 C ATOM 1085 CG HIS A 101 -4.366 -23.896 5.521 1.00 0.00 C ATOM 1086 ND1 HIS A 101 -3.920 -24.642 4.451 1.00 0.00 N ATOM 1087 CD2 HIS A 101 -3.366 -23.034 5.819 1.00 0.00 C ATOM 1088 CE1 HIS A 101 -2.704 -24.249 4.119 1.00 0.00 C ATOM 1089 NE2 HIS A 101 -2.344 -23.274 4.934 1.00 0.00 N ATOM 0 H HIS A 101 -3.780 -24.245 8.110 1.00 0.00 H new ATOM 0 HA HIS A 101 -6.667 -24.880 7.902 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -6.362 -24.609 5.443 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -6.161 -23.113 6.334 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.371 -22.295 6.606 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -2.105 -24.656 3.317 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -1.452 -22.780 4.910 1.00 0.00 H new ATOM 1097 N LYS A 102 -6.240 -27.193 7.026 1.00 0.00 N ATOM 1098 CA LYS A 102 -5.977 -28.603 6.761 1.00 0.00 C ATOM 1099 C LYS A 102 -5.253 -28.780 5.430 1.00 0.00 C ATOM 1100 O LYS A 102 -5.582 -28.125 4.441 1.00 0.00 O ATOM 1101 CB LYS A 102 -7.287 -29.394 6.750 1.00 0.00 C ATOM 1102 CG LYS A 102 -7.125 -30.845 7.169 1.00 0.00 C ATOM 1103 CD LYS A 102 -8.220 -31.720 6.583 1.00 0.00 C ATOM 1104 CE LYS A 102 -9.557 -31.472 7.264 1.00 0.00 C ATOM 1105 NZ LYS A 102 -9.572 -31.987 8.661 1.00 0.00 N ATOM 0 H LYS A 102 -7.230 -26.951 7.075 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.337 -28.984 7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -8.000 -28.909 7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.714 -29.360 5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.152 -31.212 6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.145 -30.915 8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.312 -31.522 5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.945 -32.769 6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.769 -30.403 7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.351 -31.952 6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.551 -32.018 9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.167 -32.945 8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.008 -31.359 9.269 1.00 0.00 H new ATOM 1119 N PHE A 103 -4.266 -29.670 5.412 1.00 0.00 N ATOM 1120 CA PHE A 103 -3.495 -29.933 4.203 1.00 0.00 C ATOM 1121 C PHE A 103 -4.052 -31.142 3.456 1.00 0.00 C ATOM 1122 O PHE A 103 -4.995 -31.787 3.913 1.00 0.00 O ATOM 1123 CB PHE A 103 -2.024 -30.167 4.551 1.00 0.00 C ATOM 1124 CG PHE A 103 -1.092 -29.943 3.395 1.00 0.00 C ATOM 1125 CD1 PHE A 103 -0.761 -28.658 2.993 1.00 0.00 C ATOM 1126 CD2 PHE A 103 -0.545 -31.016 2.709 1.00 0.00 C ATOM 1127 CE1 PHE A 103 0.096 -28.449 1.930 1.00 0.00 C ATOM 1128 CE2 PHE A 103 0.313 -30.813 1.645 1.00 0.00 C ATOM 1129 CZ PHE A 103 0.635 -29.527 1.255 1.00 0.00 C ATOM 0 H PHE A 103 -3.981 -30.221 6.222 1.00 0.00 H new ATOM 0 HA PHE A 103 -3.573 -29.060 3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -1.742 -29.503 5.368 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -1.902 -31.188 4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -1.178 -27.811 3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.792 -32.023 3.010 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.345 -27.443 1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 103 0.731 -31.658 1.119 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.306 -29.365 0.425 1.00 0.00 H new ATOM 1139 N ARG A 104 -3.461 -31.441 2.303 1.00 0.00 N ATOM 1140 CA ARG A 104 -3.899 -32.570 1.491 1.00 0.00 C ATOM 1141 C ARG A 104 -2.721 -33.473 1.137 1.00 0.00 C ATOM 1142 O ARG A 104 -1.570 -33.035 1.127 1.00 0.00 O ATOM 1143 CB ARG A 104 -4.578 -32.074 0.213 1.00 0.00 C ATOM 1144 CG ARG A 104 -5.585 -33.057 -0.362 1.00 0.00 C ATOM 1145 CD ARG A 104 -6.797 -33.206 0.544 1.00 0.00 C ATOM 1146 NE ARG A 104 -7.951 -33.744 -0.171 1.00 0.00 N ATOM 1147 CZ ARG A 104 -9.063 -34.153 0.430 1.00 0.00 C ATOM 1148 NH1 ARG A 104 -9.170 -34.085 1.750 1.00 0.00 N ATOM 1149 NH2 ARG A 104 -10.071 -34.630 -0.289 1.00 0.00 N ATOM 0 H ARG A 104 -2.678 -30.917 1.911 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.616 -33.148 2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -5.082 -31.131 0.422 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.815 -31.868 -0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.905 -32.717 -1.347 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.110 -34.028 -0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.548 -33.863 1.377 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.054 -32.236 0.969 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.901 -33.809 -1.188 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.398 -33.718 2.306 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.025 -34.400 2.209 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.993 -34.683 -1.305 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.924 -34.944 0.174 1.00 0.00 H new ATOM 1163 N LEU A 105 -3.016 -34.735 0.848 1.00 0.00 N ATOM 1164 CA LEU A 105 -1.982 -35.701 0.493 1.00 0.00 C ATOM 1165 C LEU A 105 -1.139 -35.193 -0.673 1.00 0.00 C ATOM 1166 O LEU A 105 -1.492 -34.212 -1.325 1.00 0.00 O ATOM 1167 CB LEU A 105 -2.614 -37.046 0.131 1.00 0.00 C ATOM 1168 CG LEU A 105 -1.680 -38.256 0.158 1.00 0.00 C ATOM 1169 CD1 LEU A 105 -2.470 -39.545 -0.010 1.00 0.00 C ATOM 1170 CD2 LEU A 105 -0.619 -38.134 -0.926 1.00 0.00 C ATOM 0 H LEU A 105 -3.963 -35.114 0.852 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.332 -35.833 1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.439 -37.234 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.043 -36.966 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.181 -38.284 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.788 -40.395 0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.192 -39.638 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.997 -39.527 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.037 -39.004 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.101 -38.080 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.032 -37.230 -0.761 1.00 0.00 H new TER 1182 LEU A 105 HETATM 1183 ZN ZN A 201 0.149 7.754 -2.434 1.00 0.00 ZN HETATM 1184 ZN ZN A 401 -0.339 -6.701 1.100 1.00 0.00 ZN