USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 694 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 Single : A 22 MET CE :methyl -147:sc= -3.86! (180deg=-6.96!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.314 K(o=0.31,f=-4.6!) USER MOD Single : A 27 GLN : amide:sc= -0.478 K(o=-0.48,f=-3!) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= 0.471 (180deg=0.235) USER MOD Single : A 33 GLN : amide:sc= -3.23! X(o=-3.2!,f=-2.8) USER MOD Single : A 36 HIS : no HD1:sc= -4.45! C(o=-4.5!,f=-3.6!) USER MOD Single : A 46 HIS : no HD1:sc= -2.78! K(o=-2.8!,f=-0.19) USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 0.0049 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -17.5! C(o=-18!,f=-18!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.295) USER MOD Single : A 80 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.3) USER MOD Single : A 82 ASN : amide:sc= -0.103 K(o=-0.1,f=-0.9) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -15:sc= -1.7! USER MOD Single : A 93 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.307) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 0.903 18.166 2.953 1.00 0.00 N ATOM 2 CA GLY A 17 2.147 17.751 2.245 1.00 0.00 C ATOM 3 C GLY A 17 2.277 16.227 2.284 1.00 0.00 C ATOM 4 O GLY A 17 3.198 15.660 1.731 1.00 0.00 O ATOM 0 HA2 GLY A 17 2.122 18.097 1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.016 18.212 2.715 1.00 0.00 H new ATOM 10 N GLU A 18 1.365 15.556 2.934 1.00 0.00 N ATOM 11 CA GLU A 18 1.444 14.067 3.005 1.00 0.00 C ATOM 12 C GLU A 18 1.217 13.458 1.619 1.00 0.00 C ATOM 13 O GLU A 18 0.320 13.847 0.898 1.00 0.00 O ATOM 14 CB GLU A 18 0.325 13.654 3.961 1.00 0.00 C ATOM 15 CG GLU A 18 0.768 13.901 5.404 1.00 0.00 C ATOM 16 CD GLU A 18 -0.007 12.973 6.342 1.00 0.00 C ATOM 17 OE1 GLU A 18 -0.973 12.380 5.892 1.00 0.00 O ATOM 18 OE2 GLU A 18 0.380 12.872 7.495 1.00 0.00 O ATOM 0 H GLU A 18 0.570 15.973 3.418 1.00 0.00 H new ATOM 0 HA GLU A 18 2.420 13.723 3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.580 14.222 3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.082 12.601 3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.839 13.723 5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.591 14.941 5.677 1.00 0.00 H new ATOM 25 N GLU A 19 2.028 12.509 1.241 1.00 0.00 N ATOM 26 CA GLU A 19 1.868 11.879 -0.095 1.00 0.00 C ATOM 27 C GLU A 19 0.512 11.172 -0.200 1.00 0.00 C ATOM 28 O GLU A 19 -0.223 11.358 -1.149 1.00 0.00 O ATOM 29 CB GLU A 19 3.010 10.869 -0.193 1.00 0.00 C ATOM 30 CG GLU A 19 4.289 11.588 -0.625 1.00 0.00 C ATOM 31 CD GLU A 19 5.027 12.108 0.611 1.00 0.00 C ATOM 32 OE1 GLU A 19 4.706 13.199 1.050 1.00 0.00 O ATOM 33 OE2 GLU A 19 5.899 11.407 1.095 1.00 0.00 O ATOM 0 H GLU A 19 2.796 12.143 1.803 1.00 0.00 H new ATOM 0 HA GLU A 19 1.899 12.613 -0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.162 10.381 0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.759 10.088 -0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.930 10.907 -1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.046 12.416 -1.291 1.00 0.00 H new ATOM 40 N PHE A 20 0.177 10.355 0.763 1.00 0.00 N ATOM 41 CA PHE A 20 -1.125 9.633 0.710 1.00 0.00 C ATOM 42 C PHE A 20 -2.076 10.185 1.781 1.00 0.00 C ATOM 43 O PHE A 20 -1.724 11.076 2.529 1.00 0.00 O ATOM 44 CB PHE A 20 -0.749 8.174 0.967 1.00 0.00 C ATOM 45 CG PHE A 20 0.225 7.735 -0.108 1.00 0.00 C ATOM 46 CD1 PHE A 20 1.599 8.017 0.022 1.00 0.00 C ATOM 47 CD2 PHE A 20 -0.241 7.060 -1.247 1.00 0.00 C ATOM 48 CE1 PHE A 20 2.494 7.622 -0.983 1.00 0.00 C ATOM 49 CE2 PHE A 20 0.658 6.670 -2.248 1.00 0.00 C ATOM 50 CZ PHE A 20 2.023 6.950 -2.115 1.00 0.00 C ATOM 0 H PHE A 20 0.750 10.157 1.584 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.651 9.749 -0.238 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.299 8.067 1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.639 7.545 0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.963 8.537 0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.293 6.841 -1.352 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.548 7.837 -0.882 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.297 6.152 -3.124 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.713 6.646 -2.888 1.00 0.00 H new ATOM 60 N ARG A 21 -3.287 9.692 1.848 1.00 0.00 N ATOM 61 CA ARG A 21 -4.249 10.234 2.858 1.00 0.00 C ATOM 62 C ARG A 21 -4.224 9.425 4.156 1.00 0.00 C ATOM 63 O ARG A 21 -4.094 9.970 5.235 1.00 0.00 O ATOM 64 CB ARG A 21 -5.624 10.116 2.201 1.00 0.00 C ATOM 65 CG ARG A 21 -5.655 10.954 0.924 1.00 0.00 C ATOM 66 CD ARG A 21 -5.033 10.150 -0.217 1.00 0.00 C ATOM 67 NE ARG A 21 -5.604 10.740 -1.459 1.00 0.00 N ATOM 68 CZ ARG A 21 -5.144 11.873 -1.922 1.00 0.00 C ATOM 69 NH1 ARG A 21 -4.134 12.461 -1.341 1.00 0.00 N ATOM 70 NH2 ARG A 21 -5.699 12.419 -2.969 1.00 0.00 N ATOM 0 H ARG A 21 -3.649 8.946 1.254 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.995 11.259 3.129 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.839 9.073 1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.398 10.455 2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.681 11.225 0.677 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.106 11.884 1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.946 10.227 -0.207 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.279 9.091 -0.134 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.357 10.259 -1.951 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.699 12.037 -0.522 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.779 13.345 -1.706 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.489 11.962 -3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.343 13.303 -3.333 1.00 0.00 H new ATOM 84 N MET A 22 -4.370 8.134 4.068 1.00 0.00 N ATOM 85 CA MET A 22 -4.381 7.305 5.308 1.00 0.00 C ATOM 86 C MET A 22 -2.958 7.063 5.808 1.00 0.00 C ATOM 87 O MET A 22 -2.002 7.151 5.062 1.00 0.00 O ATOM 88 CB MET A 22 -5.048 5.995 4.897 1.00 0.00 C ATOM 89 CG MET A 22 -6.325 6.307 4.115 1.00 0.00 C ATOM 90 SD MET A 22 -7.355 4.825 4.026 1.00 0.00 S ATOM 91 CE MET A 22 -7.340 4.654 2.226 1.00 0.00 C ATOM 0 H MET A 22 -4.482 7.617 3.196 1.00 0.00 H new ATOM 0 HA MET A 22 -4.912 7.792 6.126 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.368 5.403 4.285 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.283 5.400 5.779 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.873 7.115 4.600 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.075 6.650 3.111 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.290 4.238 1.892 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.192 5.632 1.769 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.529 3.989 1.930 1.00 0.00 H new ATOM 101 N GLU A 23 -2.810 6.767 7.069 1.00 0.00 N ATOM 102 CA GLU A 23 -1.448 6.530 7.620 1.00 0.00 C ATOM 103 C GLU A 23 -0.929 5.156 7.190 1.00 0.00 C ATOM 104 O GLU A 23 0.231 4.849 7.357 1.00 0.00 O ATOM 105 CB GLU A 23 -1.610 6.606 9.135 1.00 0.00 C ATOM 106 CG GLU A 23 -0.352 6.057 9.812 1.00 0.00 C ATOM 107 CD GLU A 23 -0.307 6.528 11.266 1.00 0.00 C ATOM 108 OE1 GLU A 23 -0.923 5.881 12.097 1.00 0.00 O ATOM 109 OE2 GLU A 23 0.344 7.526 11.524 1.00 0.00 O ATOM 0 H GLU A 23 -3.573 6.679 7.741 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.725 7.260 7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.780 7.638 9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.483 6.033 9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.351 4.968 9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.537 6.397 9.281 1.00 0.00 H new ATOM 116 N LYS A 24 -1.766 4.328 6.628 1.00 0.00 N ATOM 117 CA LYS A 24 -1.272 2.993 6.181 1.00 0.00 C ATOM 118 C LYS A 24 -0.388 3.173 4.937 1.00 0.00 C ATOM 119 O LYS A 24 0.792 2.862 4.951 1.00 0.00 O ATOM 120 CB LYS A 24 -2.515 2.136 5.884 1.00 0.00 C ATOM 121 CG LYS A 24 -3.510 2.886 4.991 1.00 0.00 C ATOM 122 CD LYS A 24 -4.926 2.681 5.529 1.00 0.00 C ATOM 123 CE LYS A 24 -5.426 1.289 5.139 1.00 0.00 C ATOM 124 NZ LYS A 24 -5.718 0.610 6.431 1.00 0.00 N ATOM 0 H LYS A 24 -2.755 4.512 6.460 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.663 2.502 6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.212 1.210 5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.000 1.859 6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.267 3.948 4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.442 2.522 3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.933 2.791 6.613 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.593 3.444 5.127 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.317 1.350 4.515 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.674 0.745 4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.066 -0.352 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.850 0.560 7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.442 1.147 6.949 1.00 0.00 H new ATOM 138 N LEU A 25 -0.926 3.710 3.872 1.00 0.00 N ATOM 139 CA LEU A 25 -0.084 3.934 2.669 1.00 0.00 C ATOM 140 C LEU A 25 1.016 4.910 3.043 1.00 0.00 C ATOM 141 O LEU A 25 2.172 4.669 2.800 1.00 0.00 O ATOM 142 CB LEU A 25 -1.004 4.537 1.609 1.00 0.00 C ATOM 143 CG LEU A 25 -2.317 3.747 1.521 1.00 0.00 C ATOM 144 CD1 LEU A 25 -3.034 4.122 0.229 1.00 0.00 C ATOM 145 CD2 LEU A 25 -2.048 2.238 1.502 1.00 0.00 C ATOM 0 H LEU A 25 -1.901 3.999 3.787 1.00 0.00 H new ATOM 0 HA LEU A 25 0.374 3.019 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.215 5.578 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.504 4.532 0.640 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.925 3.990 2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.969 3.566 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.247 5.191 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.400 3.878 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.994 1.701 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.431 1.989 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.527 1.950 2.415 1.00 0.00 H new ATOM 157 N ASN A 26 0.665 6.002 3.664 1.00 0.00 N ATOM 158 CA ASN A 26 1.706 6.974 4.085 1.00 0.00 C ATOM 159 C ASN A 26 2.851 6.206 4.741 1.00 0.00 C ATOM 160 O ASN A 26 3.938 6.118 4.217 1.00 0.00 O ATOM 161 CB ASN A 26 1.017 7.882 5.105 1.00 0.00 C ATOM 162 CG ASN A 26 0.565 9.169 4.418 1.00 0.00 C ATOM 163 OD1 ASN A 26 1.184 9.615 3.475 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.493 9.792 4.858 1.00 0.00 N ATOM 0 H ASN A 26 -0.294 6.260 3.896 1.00 0.00 H new ATOM 0 HA ASN A 26 2.116 7.550 3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.160 7.370 5.543 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.701 8.114 5.922 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.800 10.655 4.409 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.013 9.416 5.651 1.00 0.00 H new ATOM 171 N GLN A 27 2.599 5.631 5.883 1.00 0.00 N ATOM 172 CA GLN A 27 3.656 4.847 6.578 1.00 0.00 C ATOM 173 C GLN A 27 4.407 3.979 5.566 1.00 0.00 C ATOM 174 O GLN A 27 5.598 3.778 5.674 1.00 0.00 O ATOM 175 CB GLN A 27 2.904 3.971 7.580 1.00 0.00 C ATOM 176 CG GLN A 27 2.667 4.759 8.870 1.00 0.00 C ATOM 177 CD GLN A 27 3.333 4.033 10.041 1.00 0.00 C ATOM 178 OE1 GLN A 27 4.141 3.149 9.843 1.00 0.00 O ATOM 179 NE2 GLN A 27 3.024 4.374 11.263 1.00 0.00 N ATOM 0 H GLN A 27 1.702 5.671 6.367 1.00 0.00 H new ATOM 0 HA GLN A 27 4.393 5.483 7.068 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.952 3.651 7.157 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.478 3.069 7.793 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.074 5.766 8.774 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.598 4.863 9.054 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.345 5.117 11.429 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.462 3.898 12.052 1.00 0.00 H new ATOM 188 N LEU A 28 3.716 3.455 4.588 1.00 0.00 N ATOM 189 CA LEU A 28 4.398 2.596 3.573 1.00 0.00 C ATOM 190 C LEU A 28 5.406 3.413 2.757 1.00 0.00 C ATOM 191 O LEU A 28 6.546 3.028 2.594 1.00 0.00 O ATOM 192 CB LEU A 28 3.265 2.076 2.674 1.00 0.00 C ATOM 193 CG LEU A 28 3.224 0.544 2.685 1.00 0.00 C ATOM 194 CD1 LEU A 28 4.318 0.001 1.766 1.00 0.00 C ATOM 195 CD2 LEU A 28 3.441 0.020 4.108 1.00 0.00 C ATOM 0 H LEU A 28 2.714 3.583 4.448 1.00 0.00 H new ATOM 0 HA LEU A 28 4.962 1.786 4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.310 2.473 3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.410 2.434 1.655 1.00 0.00 H new ATOM 0 HG LEU A 28 2.248 0.210 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.291 -1.089 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.153 0.362 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.292 0.342 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.410 -1.070 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.412 0.354 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.656 0.403 4.760 1.00 0.00 H new ATOM 207 N TRP A 29 4.990 4.532 2.246 1.00 0.00 N ATOM 208 CA TRP A 29 5.900 5.387 1.441 1.00 0.00 C ATOM 209 C TRP A 29 7.029 5.924 2.324 1.00 0.00 C ATOM 210 O TRP A 29 8.197 5.712 2.059 1.00 0.00 O ATOM 211 CB TRP A 29 4.982 6.506 0.963 1.00 0.00 C ATOM 212 CG TRP A 29 5.731 7.490 0.137 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.717 8.821 0.339 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.574 7.255 -1.024 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.516 9.425 -0.614 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.065 8.500 -1.479 1.00 0.00 C ATOM 217 CE3 TRP A 29 6.963 6.094 -1.716 1.00 0.00 C ATOM 218 CZ2 TRP A 29 7.909 8.592 -2.585 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.812 6.183 -2.830 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.283 7.429 -3.263 1.00 0.00 C ATOM 0 H TRP A 29 4.044 4.897 2.353 1.00 0.00 H new ATOM 0 HA TRP A 29 6.388 4.866 0.617 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.162 6.086 0.381 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.538 7.009 1.822 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.171 9.333 1.118 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.680 10.430 -0.671 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.606 5.129 -1.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.271 9.555 -2.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.104 5.286 -3.356 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.936 7.491 -4.121 1.00 0.00 H new ATOM 231 N GLU A 30 6.687 6.608 3.381 1.00 0.00 N ATOM 232 CA GLU A 30 7.733 7.143 4.286 1.00 0.00 C ATOM 233 C GLU A 30 8.633 6.001 4.752 1.00 0.00 C ATOM 234 O GLU A 30 9.817 6.175 4.954 1.00 0.00 O ATOM 235 CB GLU A 30 6.977 7.752 5.467 1.00 0.00 C ATOM 236 CG GLU A 30 7.215 9.263 5.499 1.00 0.00 C ATOM 237 CD GLU A 30 8.491 9.564 6.286 1.00 0.00 C ATOM 238 OE1 GLU A 30 8.486 9.359 7.489 1.00 0.00 O ATOM 239 OE2 GLU A 30 9.454 9.997 5.673 1.00 0.00 O ATOM 0 H GLU A 30 5.727 6.818 3.654 1.00 0.00 H new ATOM 0 HA GLU A 30 8.369 7.883 3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.911 7.543 5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.313 7.300 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.302 9.649 4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.364 9.766 5.959 1.00 0.00 H new ATOM 246 N LYS A 31 8.084 4.825 4.898 1.00 0.00 N ATOM 247 CA LYS A 31 8.919 3.670 5.319 1.00 0.00 C ATOM 248 C LYS A 31 9.945 3.421 4.218 1.00 0.00 C ATOM 249 O LYS A 31 11.134 3.300 4.459 1.00 0.00 O ATOM 250 CB LYS A 31 7.926 2.508 5.448 1.00 0.00 C ATOM 251 CG LYS A 31 8.633 1.164 5.278 1.00 0.00 C ATOM 252 CD LYS A 31 8.697 0.452 6.626 1.00 0.00 C ATOM 253 CE LYS A 31 10.072 0.691 7.241 1.00 0.00 C ATOM 254 NZ LYS A 31 10.400 -0.569 7.963 1.00 0.00 N ATOM 0 H LYS A 31 7.097 4.617 4.744 1.00 0.00 H new ATOM 0 HA LYS A 31 9.463 3.815 6.252 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.440 2.547 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.143 2.609 4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.099 0.549 4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.639 1.316 4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.917 0.826 7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.521 -0.616 6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.814 0.910 6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.057 1.542 7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.414 -0.583 8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.845 -0.620 8.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.170 -1.385 7.360 1.00 0.00 H new ATOM 268 N ALA A 32 9.486 3.374 3.001 1.00 0.00 N ATOM 269 CA ALA A 32 10.410 3.172 1.865 1.00 0.00 C ATOM 270 C ALA A 32 11.512 4.224 1.935 1.00 0.00 C ATOM 271 O ALA A 32 12.669 3.953 1.675 1.00 0.00 O ATOM 272 CB ALA A 32 9.543 3.367 0.622 1.00 0.00 C ATOM 0 H ALA A 32 8.503 3.468 2.747 1.00 0.00 H new ATOM 0 HA ALA A 32 10.892 2.194 1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.153 3.234 -0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.736 2.634 0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.121 4.372 0.627 1.00 0.00 H new ATOM 278 N GLN A 33 11.160 5.426 2.305 1.00 0.00 N ATOM 279 CA GLN A 33 12.184 6.501 2.418 1.00 0.00 C ATOM 280 C GLN A 33 13.107 6.197 3.597 1.00 0.00 C ATOM 281 O GLN A 33 14.281 6.512 3.578 1.00 0.00 O ATOM 282 CB GLN A 33 11.390 7.784 2.670 1.00 0.00 C ATOM 283 CG GLN A 33 10.594 8.139 1.414 1.00 0.00 C ATOM 284 CD GLN A 33 9.553 9.207 1.750 1.00 0.00 C ATOM 285 OE1 GLN A 33 9.810 10.103 2.529 1.00 0.00 O ATOM 286 NE2 GLN A 33 8.382 9.144 1.184 1.00 0.00 N ATOM 0 H GLN A 33 10.207 5.709 2.534 1.00 0.00 H new ATOM 0 HA GLN A 33 12.807 6.586 1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.716 7.648 3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.066 8.599 2.929 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.266 8.504 0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.103 7.250 1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.171 8.390 0.531 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.675 9.849 1.394 1.00 0.00 H new ATOM 295 N ARG A 34 12.586 5.575 4.620 1.00 0.00 N ATOM 296 CA ARG A 34 13.436 5.234 5.793 1.00 0.00 C ATOM 297 C ARG A 34 14.493 4.218 5.367 1.00 0.00 C ATOM 298 O ARG A 34 15.627 4.275 5.794 1.00 0.00 O ATOM 299 CB ARG A 34 12.483 4.628 6.823 1.00 0.00 C ATOM 300 CG ARG A 34 13.173 4.586 8.188 1.00 0.00 C ATOM 301 CD ARG A 34 12.540 3.489 9.046 1.00 0.00 C ATOM 302 NE ARG A 34 11.282 4.089 9.566 1.00 0.00 N ATOM 303 CZ ARG A 34 10.249 3.332 9.813 1.00 0.00 C ATOM 304 NH1 ARG A 34 10.317 2.423 10.747 1.00 0.00 N ATOM 305 NH2 ARG A 34 9.150 3.483 9.126 1.00 0.00 N ATOM 0 H ARG A 34 11.610 5.289 4.693 1.00 0.00 H new ATOM 0 HA ARG A 34 13.958 6.099 6.202 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.570 5.220 6.883 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.192 3.623 6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.239 4.395 8.063 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.078 5.551 8.685 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.337 2.594 8.457 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.202 3.192 9.859 1.00 0.00 H new ATOM 0 HE ARG A 34 11.227 5.094 9.730 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.177 2.305 11.283 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.510 1.830 10.941 1.00 0.00 H new ATOM 0 HH21 ARG A 34 9.099 4.193 8.396 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.342 2.891 9.319 1.00 0.00 H new ATOM 319 N LEU A 35 14.135 3.298 4.511 1.00 0.00 N ATOM 320 CA LEU A 35 15.138 2.297 4.042 1.00 0.00 C ATOM 321 C LEU A 35 16.082 2.959 3.034 1.00 0.00 C ATOM 322 O LEU A 35 17.053 2.375 2.597 1.00 0.00 O ATOM 323 CB LEU A 35 14.323 1.191 3.372 1.00 0.00 C ATOM 324 CG LEU A 35 13.798 0.238 4.442 1.00 0.00 C ATOM 325 CD1 LEU A 35 12.329 0.553 4.722 1.00 0.00 C ATOM 326 CD2 LEU A 35 13.929 -1.204 3.950 1.00 0.00 C ATOM 0 H LEU A 35 13.199 3.196 4.119 1.00 0.00 H new ATOM 0 HA LEU A 35 15.749 1.903 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.493 1.622 2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.942 0.649 2.657 1.00 0.00 H new ATOM 0 HG LEU A 35 14.377 0.360 5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.951 -0.126 5.486 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.238 1.581 5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.750 0.429 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.554 -1.885 4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.350 -1.330 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.977 -1.426 3.749 1.00 0.00 H new ATOM 338 N HIS A 36 15.795 4.182 2.671 1.00 0.00 N ATOM 339 CA HIS A 36 16.657 4.915 1.699 1.00 0.00 C ATOM 340 C HIS A 36 16.627 4.243 0.325 1.00 0.00 C ATOM 341 O HIS A 36 17.596 4.272 -0.407 1.00 0.00 O ATOM 342 CB HIS A 36 18.066 4.869 2.292 1.00 0.00 C ATOM 343 CG HIS A 36 18.020 5.300 3.732 1.00 0.00 C ATOM 344 ND1 HIS A 36 17.984 6.635 4.103 1.00 0.00 N ATOM 345 CD2 HIS A 36 17.999 4.584 4.903 1.00 0.00 C ATOM 346 CE1 HIS A 36 17.945 6.681 5.447 1.00 0.00 C ATOM 347 NE2 HIS A 36 17.951 5.458 5.985 1.00 0.00 N ATOM 0 H HIS A 36 14.991 4.709 3.011 1.00 0.00 H new ATOM 0 HA HIS A 36 16.312 5.938 1.549 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.471 3.860 2.216 1.00 0.00 H new ATOM 0 HB3 HIS A 36 18.731 5.522 1.727 1.00 0.00 H new ATOM 0 HD2 HIS A 36 18.017 3.506 4.974 1.00 0.00 H new ATOM 0 HE1 HIS A 36 17.913 7.595 6.021 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.926 5.217 6.976 1.00 0.00 H new ATOM 355 N LEU A 37 15.525 3.648 -0.044 1.00 0.00 N ATOM 356 CA LEU A 37 15.457 2.996 -1.381 1.00 0.00 C ATOM 357 C LEU A 37 16.041 3.935 -2.437 1.00 0.00 C ATOM 358 O LEU A 37 16.249 5.103 -2.180 1.00 0.00 O ATOM 359 CB LEU A 37 13.966 2.795 -1.667 1.00 0.00 C ATOM 360 CG LEU A 37 13.405 1.636 -0.841 1.00 0.00 C ATOM 361 CD1 LEU A 37 11.889 1.576 -1.037 1.00 0.00 C ATOM 362 CD2 LEU A 37 14.013 0.317 -1.314 1.00 0.00 C ATOM 0 H LEU A 37 14.676 3.586 0.518 1.00 0.00 H new ATOM 0 HA LEU A 37 16.013 2.059 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.420 3.710 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.818 2.596 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 37 13.648 1.792 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.479 0.753 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.442 2.514 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.664 1.419 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.609 -0.503 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.769 0.160 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.096 0.352 -1.194 1.00 0.00 H new ATOM 374 N PRO A 38 16.247 3.400 -3.605 1.00 0.00 N ATOM 375 CA PRO A 38 16.759 4.208 -4.725 1.00 0.00 C ATOM 376 C PRO A 38 15.587 4.987 -5.339 1.00 0.00 C ATOM 377 O PRO A 38 14.459 4.817 -4.924 1.00 0.00 O ATOM 378 CB PRO A 38 17.325 3.169 -5.688 1.00 0.00 C ATOM 379 CG PRO A 38 16.598 1.894 -5.383 1.00 0.00 C ATOM 380 CD PRO A 38 16.028 2.004 -3.985 1.00 0.00 C ATOM 0 HA PRO A 38 17.514 4.945 -4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.170 3.470 -6.724 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.399 3.050 -5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.801 1.727 -6.108 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.275 1.043 -5.453 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.968 1.750 -3.968 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.530 1.323 -3.298 1.00 0.00 H new ATOM 388 N PRO A 39 15.881 5.824 -6.293 1.00 0.00 N ATOM 389 CA PRO A 39 14.815 6.636 -6.933 1.00 0.00 C ATOM 390 C PRO A 39 13.866 5.754 -7.755 1.00 0.00 C ATOM 391 O PRO A 39 12.659 5.872 -7.660 1.00 0.00 O ATOM 392 CB PRO A 39 15.591 7.606 -7.820 1.00 0.00 C ATOM 393 CG PRO A 39 16.896 6.928 -8.084 1.00 0.00 C ATOM 394 CD PRO A 39 17.204 6.097 -6.866 1.00 0.00 C ATOM 0 HA PRO A 39 14.176 7.147 -6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 39 15.056 7.807 -8.748 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.738 8.565 -7.323 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.834 6.302 -8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.684 7.660 -8.263 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.725 5.176 -7.130 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.842 6.634 -6.164 1.00 0.00 H new ATOM 402 N VAL A 40 14.392 4.873 -8.558 1.00 0.00 N ATOM 403 CA VAL A 40 13.505 3.995 -9.375 1.00 0.00 C ATOM 404 C VAL A 40 12.546 3.210 -8.474 1.00 0.00 C ATOM 405 O VAL A 40 11.370 3.092 -8.757 1.00 0.00 O ATOM 406 CB VAL A 40 14.453 3.044 -10.107 1.00 0.00 C ATOM 407 CG1 VAL A 40 14.951 1.958 -9.150 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.708 2.394 -11.274 1.00 0.00 C ATOM 0 H VAL A 40 15.393 4.722 -8.685 1.00 0.00 H new ATOM 0 HA VAL A 40 12.886 4.568 -10.066 1.00 0.00 H new ATOM 0 HB VAL A 40 15.309 3.606 -10.480 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.625 1.286 -9.681 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.481 2.421 -8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.101 1.392 -8.768 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.378 1.715 -11.800 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.852 1.837 -10.894 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.362 3.167 -11.961 1.00 0.00 H new ATOM 418 N ARG A 41 13.043 2.667 -7.399 1.00 0.00 N ATOM 419 CA ARG A 41 12.176 1.882 -6.485 1.00 0.00 C ATOM 420 C ARG A 41 11.162 2.787 -5.797 1.00 0.00 C ATOM 421 O ARG A 41 10.036 2.403 -5.572 1.00 0.00 O ATOM 422 CB ARG A 41 13.140 1.306 -5.468 1.00 0.00 C ATOM 423 CG ARG A 41 13.297 -0.188 -5.709 1.00 0.00 C ATOM 424 CD ARG A 41 13.189 -0.913 -4.375 1.00 0.00 C ATOM 425 NE ARG A 41 14.554 -0.841 -3.789 1.00 0.00 N ATOM 426 CZ ARG A 41 15.286 -1.917 -3.701 1.00 0.00 C ATOM 427 NH1 ARG A 41 14.743 -3.054 -3.360 1.00 0.00 N ATOM 428 NH2 ARG A 41 16.564 -1.855 -3.952 1.00 0.00 N ATOM 0 H ARG A 41 14.020 2.735 -7.114 1.00 0.00 H new ATOM 0 HA ARG A 41 11.604 1.116 -7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.108 1.802 -5.547 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.771 1.486 -4.458 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.528 -0.543 -6.395 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.260 -0.396 -6.175 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.454 -0.437 -3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.872 -1.947 -4.512 1.00 0.00 H new ATOM 0 HE ARG A 41 14.918 0.051 -3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.744 -3.103 -3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.318 -3.894 -3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.989 -0.966 -4.216 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.138 -2.695 -3.884 1.00 0.00 H new ATOM 442 N LEU A 42 11.547 3.982 -5.459 1.00 0.00 N ATOM 443 CA LEU A 42 10.588 4.900 -4.788 1.00 0.00 C ATOM 444 C LEU A 42 9.562 5.386 -5.807 1.00 0.00 C ATOM 445 O LEU A 42 8.471 5.789 -5.461 1.00 0.00 O ATOM 446 CB LEU A 42 11.432 6.068 -4.287 1.00 0.00 C ATOM 447 CG LEU A 42 12.359 5.594 -3.171 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.606 6.477 -3.157 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.635 5.709 -1.827 1.00 0.00 C ATOM 0 H LEU A 42 12.480 4.363 -5.617 1.00 0.00 H new ATOM 0 HA LEU A 42 10.047 4.419 -3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.018 6.484 -5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.785 6.865 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 42 12.644 4.555 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.276 6.148 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.116 6.401 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.316 7.513 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.295 5.371 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.356 6.748 -1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.738 5.090 -1.843 1.00 0.00 H new ATOM 461 N ALA A 43 9.905 5.350 -7.063 1.00 0.00 N ATOM 462 CA ALA A 43 8.943 5.804 -8.104 1.00 0.00 C ATOM 463 C ALA A 43 7.919 4.699 -8.366 1.00 0.00 C ATOM 464 O ALA A 43 6.725 4.925 -8.326 1.00 0.00 O ATOM 465 CB ALA A 43 9.791 6.066 -9.346 1.00 0.00 C ATOM 0 H ALA A 43 10.807 5.027 -7.413 1.00 0.00 H new ATOM 0 HA ALA A 43 8.389 6.695 -7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.150 6.405 -10.159 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.533 6.833 -9.125 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.297 5.147 -9.642 1.00 0.00 H new ATOM 471 N GLU A 44 8.373 3.500 -8.613 1.00 0.00 N ATOM 472 CA GLU A 44 7.418 2.382 -8.852 1.00 0.00 C ATOM 473 C GLU A 44 6.643 2.105 -7.564 1.00 0.00 C ATOM 474 O GLU A 44 5.470 1.781 -7.583 1.00 0.00 O ATOM 475 CB GLU A 44 8.291 1.184 -9.228 1.00 0.00 C ATOM 476 CG GLU A 44 8.859 1.389 -10.633 1.00 0.00 C ATOM 477 CD GLU A 44 8.739 0.087 -11.429 1.00 0.00 C ATOM 478 OE1 GLU A 44 9.362 -0.884 -11.035 1.00 0.00 O ATOM 479 OE2 GLU A 44 8.025 0.085 -12.418 1.00 0.00 O ATOM 0 H GLU A 44 9.360 3.248 -8.659 1.00 0.00 H new ATOM 0 HA GLU A 44 6.691 2.603 -9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.102 1.072 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.704 0.267 -9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.320 2.189 -11.141 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.903 1.696 -10.573 1.00 0.00 H new ATOM 486 N LEU A 45 7.291 2.256 -6.441 1.00 0.00 N ATOM 487 CA LEU A 45 6.603 2.031 -5.141 1.00 0.00 C ATOM 488 C LEU A 45 5.545 3.112 -4.963 1.00 0.00 C ATOM 489 O LEU A 45 4.399 2.830 -4.703 1.00 0.00 O ATOM 490 CB LEU A 45 7.702 2.152 -4.076 1.00 0.00 C ATOM 491 CG LEU A 45 7.102 2.544 -2.717 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.427 1.328 -2.071 1.00 0.00 C ATOM 493 CD2 LEU A 45 8.223 3.041 -1.807 1.00 0.00 C ATOM 0 H LEU A 45 8.272 2.527 -6.369 1.00 0.00 H new ATOM 0 HA LEU A 45 6.105 1.064 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.233 1.204 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.434 2.899 -4.385 1.00 0.00 H new ATOM 0 HG LEU A 45 6.359 3.328 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.005 1.615 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.632 0.965 -2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.164 0.539 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.808 3.322 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.959 2.249 -1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.703 3.908 -2.261 1.00 0.00 H new ATOM 505 N HIS A 46 5.925 4.350 -5.116 1.00 0.00 N ATOM 506 CA HIS A 46 4.935 5.448 -4.965 1.00 0.00 C ATOM 507 C HIS A 46 3.745 5.188 -5.881 1.00 0.00 C ATOM 508 O HIS A 46 2.608 5.363 -5.499 1.00 0.00 O ATOM 509 CB HIS A 46 5.666 6.719 -5.390 1.00 0.00 C ATOM 510 CG HIS A 46 4.810 7.905 -5.045 1.00 0.00 C ATOM 511 ND1 HIS A 46 3.706 8.267 -5.799 1.00 0.00 N ATOM 512 CD2 HIS A 46 4.871 8.804 -4.014 1.00 0.00 C ATOM 513 CE1 HIS A 46 3.151 9.344 -5.212 1.00 0.00 C ATOM 514 NE2 HIS A 46 3.824 9.714 -4.120 1.00 0.00 N ATOM 0 H HIS A 46 6.875 4.646 -5.338 1.00 0.00 H new ATOM 0 HA HIS A 46 4.557 5.528 -3.946 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.629 6.788 -4.884 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.869 6.698 -6.461 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.619 8.806 -3.235 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.269 9.847 -5.580 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.616 10.495 -3.498 1.00 0.00 H new ATOM 522 N ALA A 47 3.999 4.761 -7.087 1.00 0.00 N ATOM 523 CA ALA A 47 2.877 4.476 -8.021 1.00 0.00 C ATOM 524 C ALA A 47 2.031 3.333 -7.458 1.00 0.00 C ATOM 525 O ALA A 47 0.819 3.339 -7.547 1.00 0.00 O ATOM 526 CB ALA A 47 3.545 4.064 -9.333 1.00 0.00 C ATOM 0 H ALA A 47 4.933 4.598 -7.464 1.00 0.00 H new ATOM 0 HA ALA A 47 2.216 5.331 -8.164 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.780 3.837 -10.075 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.171 4.880 -9.695 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.162 3.181 -9.166 1.00 0.00 H new ATOM 532 N ASP A 48 2.666 2.356 -6.870 1.00 0.00 N ATOM 533 CA ASP A 48 1.907 1.213 -6.292 1.00 0.00 C ATOM 534 C ASP A 48 1.091 1.679 -5.084 1.00 0.00 C ATOM 535 O ASP A 48 0.036 1.150 -4.789 1.00 0.00 O ATOM 536 CB ASP A 48 2.977 0.216 -5.855 1.00 0.00 C ATOM 537 CG ASP A 48 2.915 -1.025 -6.746 1.00 0.00 C ATOM 538 OD1 ASP A 48 1.816 -1.443 -7.070 1.00 0.00 O ATOM 539 OD2 ASP A 48 3.968 -1.537 -7.089 1.00 0.00 O ATOM 0 H ASP A 48 3.679 2.301 -6.765 1.00 0.00 H new ATOM 0 HA ASP A 48 1.205 0.779 -7.004 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.964 0.674 -5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.824 -0.064 -4.813 1.00 0.00 H new ATOM 544 N LEU A 49 1.567 2.677 -4.389 1.00 0.00 N ATOM 545 CA LEU A 49 0.824 3.186 -3.215 1.00 0.00 C ATOM 546 C LEU A 49 -0.350 4.010 -3.696 1.00 0.00 C ATOM 547 O LEU A 49 -1.412 3.988 -3.118 1.00 0.00 O ATOM 548 CB LEU A 49 1.821 4.063 -2.471 1.00 0.00 C ATOM 549 CG LEU A 49 2.987 3.206 -1.994 1.00 0.00 C ATOM 550 CD1 LEU A 49 3.979 4.085 -1.241 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.461 2.111 -1.068 1.00 0.00 C ATOM 0 H LEU A 49 2.443 3.160 -4.590 1.00 0.00 H new ATOM 0 HA LEU A 49 0.434 2.392 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.182 4.858 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.337 4.544 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 49 3.485 2.748 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.816 3.477 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.348 4.868 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.484 4.539 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.292 1.495 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.967 2.567 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.748 1.489 -1.609 1.00 0.00 H new ATOM 563 N LYS A 50 -0.165 4.732 -4.763 1.00 0.00 N ATOM 564 CA LYS A 50 -1.278 5.548 -5.294 1.00 0.00 C ATOM 565 C LYS A 50 -2.366 4.607 -5.794 1.00 0.00 C ATOM 566 O LYS A 50 -3.533 4.815 -5.559 1.00 0.00 O ATOM 567 CB LYS A 50 -0.683 6.361 -6.442 1.00 0.00 C ATOM 568 CG LYS A 50 0.141 7.524 -5.879 1.00 0.00 C ATOM 569 CD LYS A 50 -0.667 8.274 -4.815 1.00 0.00 C ATOM 570 CE LYS A 50 -2.103 8.489 -5.309 1.00 0.00 C ATOM 571 NZ LYS A 50 -2.496 9.826 -4.779 1.00 0.00 N ATOM 0 H LYS A 50 0.708 4.790 -5.287 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.721 6.208 -4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.053 5.724 -7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.479 6.743 -7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.067 7.147 -5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.420 8.205 -6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.674 7.707 -3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.199 9.235 -4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.154 8.465 -6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.768 7.707 -4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.435 10.082 -5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.527 9.792 -3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.801 10.538 -5.082 1.00 0.00 H new ATOM 585 N ILE A 51 -1.989 3.551 -6.462 1.00 0.00 N ATOM 586 CA ILE A 51 -3.009 2.583 -6.939 1.00 0.00 C ATOM 587 C ILE A 51 -3.718 1.984 -5.725 1.00 0.00 C ATOM 588 O ILE A 51 -4.932 1.928 -5.662 1.00 0.00 O ATOM 589 CB ILE A 51 -2.220 1.514 -7.694 1.00 0.00 C ATOM 590 CG1 ILE A 51 -1.634 2.124 -8.970 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.148 0.355 -8.062 1.00 0.00 C ATOM 592 CD1 ILE A 51 -2.712 2.924 -9.702 1.00 0.00 C ATOM 0 H ILE A 51 -1.023 3.320 -6.696 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.768 3.035 -7.577 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.413 1.143 -7.062 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.793 2.771 -8.722 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.250 1.336 -9.618 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.583 -0.406 -8.600 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.567 -0.078 -7.154 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.956 0.723 -8.695 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.291 3.357 -10.610 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.539 2.265 -9.964 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.075 3.722 -9.055 1.00 0.00 H new ATOM 604 N GLN A 52 -2.966 1.556 -4.741 1.00 0.00 N ATOM 605 CA GLN A 52 -3.600 0.984 -3.523 1.00 0.00 C ATOM 606 C GLN A 52 -4.361 2.084 -2.784 1.00 0.00 C ATOM 607 O GLN A 52 -5.257 1.816 -2.014 1.00 0.00 O ATOM 608 CB GLN A 52 -2.437 0.464 -2.670 1.00 0.00 C ATOM 609 CG GLN A 52 -2.915 -0.678 -1.767 1.00 0.00 C ATOM 610 CD GLN A 52 -4.037 -0.190 -0.847 1.00 0.00 C ATOM 611 OE1 GLN A 52 -3.968 0.898 -0.311 1.00 0.00 O ATOM 612 NE2 GLN A 52 -5.076 -0.957 -0.635 1.00 0.00 N ATOM 0 H GLN A 52 -1.946 1.579 -4.732 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.312 0.191 -3.752 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.631 0.115 -3.315 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.031 1.273 -2.062 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.270 -1.509 -2.376 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.083 -1.053 -1.171 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.135 -1.871 -1.084 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.826 -0.641 -0.021 1.00 0.00 H new ATOM 621 N GLU A 53 -4.024 3.323 -3.023 1.00 0.00 N ATOM 622 CA GLU A 53 -4.746 4.429 -2.340 1.00 0.00 C ATOM 623 C GLU A 53 -6.125 4.593 -2.977 1.00 0.00 C ATOM 624 O GLU A 53 -7.131 4.422 -2.333 1.00 0.00 O ATOM 625 CB GLU A 53 -3.881 5.668 -2.569 1.00 0.00 C ATOM 626 CG GLU A 53 -4.053 6.639 -1.400 1.00 0.00 C ATOM 627 CD GLU A 53 -4.248 8.058 -1.938 1.00 0.00 C ATOM 628 OE1 GLU A 53 -5.274 8.305 -2.550 1.00 0.00 O ATOM 629 OE2 GLU A 53 -3.367 8.877 -1.727 1.00 0.00 O ATOM 0 H GLU A 53 -3.282 3.614 -3.660 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.900 4.248 -1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.834 5.380 -2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.164 6.154 -3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.911 6.347 -0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.178 6.602 -0.751 1.00 0.00 H new ATOM 636 N ARG A 54 -6.174 4.904 -4.242 1.00 0.00 N ATOM 637 CA ARG A 54 -7.490 5.054 -4.925 1.00 0.00 C ATOM 638 C ARG A 54 -8.325 3.796 -4.687 1.00 0.00 C ATOM 639 O ARG A 54 -9.525 3.855 -4.492 1.00 0.00 O ATOM 640 CB ARG A 54 -7.147 5.198 -6.409 1.00 0.00 C ATOM 641 CG ARG A 54 -8.425 5.118 -7.246 1.00 0.00 C ATOM 642 CD ARG A 54 -8.169 4.261 -8.487 1.00 0.00 C ATOM 643 NE ARG A 54 -7.390 5.137 -9.406 1.00 0.00 N ATOM 644 CZ ARG A 54 -6.915 4.654 -10.521 1.00 0.00 C ATOM 645 NH1 ARG A 54 -6.352 3.477 -10.534 1.00 0.00 N ATOM 646 NH2 ARG A 54 -7.003 5.349 -11.623 1.00 0.00 N ATOM 0 H ARG A 54 -5.358 5.061 -4.834 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.065 5.905 -4.560 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.645 6.149 -6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.455 4.412 -6.710 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.233 4.688 -6.655 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.743 6.118 -7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.612 3.358 -8.235 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.105 3.941 -8.945 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.228 6.114 -9.164 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.283 2.935 -9.673 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.981 3.099 -11.405 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.443 6.269 -11.612 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.632 4.972 -12.495 1.00 0.00 H new ATOM 660 N ASP A 55 -7.688 2.658 -4.701 1.00 0.00 N ATOM 661 CA ASP A 55 -8.422 1.382 -4.478 1.00 0.00 C ATOM 662 C ASP A 55 -8.837 1.250 -3.010 1.00 0.00 C ATOM 663 O ASP A 55 -9.857 0.670 -2.691 1.00 0.00 O ATOM 664 CB ASP A 55 -7.406 0.295 -4.841 1.00 0.00 C ATOM 665 CG ASP A 55 -7.163 0.303 -6.351 1.00 0.00 C ATOM 666 OD1 ASP A 55 -7.646 1.211 -7.005 1.00 0.00 O ATOM 667 OD2 ASP A 55 -6.496 -0.602 -6.826 1.00 0.00 O ATOM 0 H ASP A 55 -6.685 2.557 -4.858 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.336 1.319 -5.068 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.469 0.467 -4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.775 -0.681 -4.527 1.00 0.00 H new ATOM 672 N GLU A 56 -8.046 1.772 -2.115 1.00 0.00 N ATOM 673 CA GLU A 56 -8.382 1.658 -0.667 1.00 0.00 C ATOM 674 C GLU A 56 -9.413 2.708 -0.251 1.00 0.00 C ATOM 675 O GLU A 56 -10.138 2.506 0.684 1.00 0.00 O ATOM 676 CB GLU A 56 -7.059 1.863 0.069 1.00 0.00 C ATOM 677 CG GLU A 56 -7.227 1.520 1.549 1.00 0.00 C ATOM 678 CD GLU A 56 -5.861 1.193 2.155 1.00 0.00 C ATOM 679 OE1 GLU A 56 -4.970 2.017 2.035 1.00 0.00 O ATOM 680 OE2 GLU A 56 -5.730 0.123 2.728 1.00 0.00 O ATOM 0 H GLU A 56 -7.182 2.272 -2.322 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.831 0.693 -0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.286 1.235 -0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.730 2.896 -0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.680 2.358 2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.900 0.670 1.662 1.00 0.00 H new ATOM 687 N LEU A 57 -9.524 3.805 -0.946 1.00 0.00 N ATOM 688 CA LEU A 57 -10.566 4.798 -0.560 1.00 0.00 C ATOM 689 C LEU A 57 -11.849 4.373 -1.247 1.00 0.00 C ATOM 690 O LEU A 57 -12.884 4.209 -0.629 1.00 0.00 O ATOM 691 CB LEU A 57 -10.108 6.155 -1.091 1.00 0.00 C ATOM 692 CG LEU A 57 -8.640 6.385 -0.754 1.00 0.00 C ATOM 693 CD1 LEU A 57 -7.922 6.832 -2.021 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.521 7.477 0.313 1.00 0.00 C ATOM 0 H LEU A 57 -8.950 4.055 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.721 4.857 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.252 6.198 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.717 6.948 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.195 5.466 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.868 7.002 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.013 6.058 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.370 7.756 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.470 7.639 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.955 8.403 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.054 7.167 1.212 1.00 0.00 H new ATOM 706 N ALA A 58 -11.770 4.148 -2.528 1.00 0.00 N ATOM 707 CA ALA A 58 -12.970 3.679 -3.257 1.00 0.00 C ATOM 708 C ALA A 58 -13.491 2.447 -2.531 1.00 0.00 C ATOM 709 O ALA A 58 -14.672 2.310 -2.249 1.00 0.00 O ATOM 710 CB ALA A 58 -12.475 3.321 -4.661 1.00 0.00 C ATOM 0 H ALA A 58 -10.931 4.269 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.772 4.415 -3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.312 2.964 -5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.042 4.204 -5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.719 2.539 -4.592 1.00 0.00 H new ATOM 716 N TRP A 59 -12.610 1.552 -2.188 1.00 0.00 N ATOM 717 CA TRP A 59 -13.064 0.363 -1.451 1.00 0.00 C ATOM 718 C TRP A 59 -13.449 0.774 -0.028 1.00 0.00 C ATOM 719 O TRP A 59 -14.374 0.254 0.544 1.00 0.00 O ATOM 720 CB TRP A 59 -11.891 -0.609 -1.417 1.00 0.00 C ATOM 721 CG TRP A 59 -12.237 -1.665 -0.432 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.917 -2.794 -0.719 1.00 0.00 C ATOM 723 CD2 TRP A 59 -11.988 -1.680 1.003 1.00 0.00 C ATOM 724 NE1 TRP A 59 -13.091 -3.516 0.445 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.531 -2.874 1.535 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.341 -0.788 1.886 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.442 -3.173 2.895 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.254 -1.088 3.254 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.801 -2.277 3.756 1.00 0.00 C ATOM 0 H TRP A 59 -11.611 1.598 -2.386 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.931 -0.098 -1.924 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.719 -1.041 -2.403 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.973 -0.097 -1.128 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -13.268 -3.085 -1.698 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.574 -4.413 0.495 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.912 0.128 1.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.865 -4.089 3.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.762 -0.398 3.924 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.727 -2.501 4.810 1.00 0.00 H new ATOM 740 N LYS A 60 -12.765 1.715 0.557 1.00 0.00 N ATOM 741 CA LYS A 60 -13.169 2.119 1.930 1.00 0.00 C ATOM 742 C LYS A 60 -14.663 2.406 1.867 1.00 0.00 C ATOM 743 O LYS A 60 -15.412 2.137 2.788 1.00 0.00 O ATOM 744 CB LYS A 60 -12.356 3.366 2.268 1.00 0.00 C ATOM 745 CG LYS A 60 -11.079 2.951 3.006 1.00 0.00 C ATOM 746 CD LYS A 60 -11.403 2.606 4.451 1.00 0.00 C ATOM 747 CE LYS A 60 -10.545 3.462 5.386 1.00 0.00 C ATOM 748 NZ LYS A 60 -10.018 2.511 6.405 1.00 0.00 N ATOM 0 H LYS A 60 -11.967 2.210 0.159 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.987 1.364 2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.104 3.908 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.945 4.042 2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.626 2.092 2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.350 3.760 2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.461 2.781 4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.215 1.548 4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.734 3.948 4.843 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.135 4.251 5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.419 3.025 7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.812 2.069 6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.454 1.775 5.934 1.00 0.00 H new ATOM 762 N LYS A 61 -15.106 2.883 0.730 1.00 0.00 N ATOM 763 CA LYS A 61 -16.557 3.115 0.542 1.00 0.00 C ATOM 764 C LYS A 61 -17.213 1.745 0.370 1.00 0.00 C ATOM 765 O LYS A 61 -18.256 1.471 0.923 1.00 0.00 O ATOM 766 CB LYS A 61 -16.678 3.952 -0.734 1.00 0.00 C ATOM 767 CG LYS A 61 -16.797 5.432 -0.365 1.00 0.00 C ATOM 768 CD LYS A 61 -18.273 5.817 -0.255 1.00 0.00 C ATOM 769 CE LYS A 61 -18.714 6.524 -1.539 1.00 0.00 C ATOM 770 NZ LYS A 61 -19.222 7.851 -1.092 1.00 0.00 N ATOM 0 H LYS A 61 -14.520 3.119 -0.071 1.00 0.00 H new ATOM 0 HA LYS A 61 -17.036 3.630 1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.807 3.794 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.551 3.638 -1.306 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.290 5.623 0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.306 6.046 -1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.880 4.927 -0.090 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.426 6.471 0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.882 6.634 -2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.489 5.958 -2.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.543 8.396 -1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.017 7.715 -0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.460 8.370 -0.610 1.00 0.00 H new ATOM 784 N LEU A 62 -16.579 0.863 -0.371 1.00 0.00 N ATOM 785 CA LEU A 62 -17.147 -0.513 -0.542 1.00 0.00 C ATOM 786 C LEU A 62 -17.564 -1.060 0.831 1.00 0.00 C ATOM 787 O LEU A 62 -18.707 -1.400 1.064 1.00 0.00 O ATOM 788 CB LEU A 62 -15.998 -1.372 -1.105 1.00 0.00 C ATOM 789 CG LEU A 62 -16.049 -1.467 -2.635 1.00 0.00 C ATOM 790 CD1 LEU A 62 -16.882 -2.681 -3.036 1.00 0.00 C ATOM 791 CD2 LEU A 62 -16.653 -0.192 -3.233 1.00 0.00 C ATOM 0 H LEU A 62 -15.701 1.036 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.017 -0.518 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.043 -0.945 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.051 -2.373 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.035 -1.577 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.921 -2.753 -4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.428 -3.584 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -17.893 -2.574 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.681 -0.278 -4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -17.666 -0.056 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -16.042 0.666 -2.952 1.00 0.00 H new ATOM 803 N LYS A 63 -16.623 -1.148 1.734 1.00 0.00 N ATOM 804 CA LYS A 63 -16.900 -1.670 3.102 1.00 0.00 C ATOM 805 C LYS A 63 -17.930 -0.797 3.827 1.00 0.00 C ATOM 806 O LYS A 63 -18.923 -1.282 4.331 1.00 0.00 O ATOM 807 CB LYS A 63 -15.543 -1.589 3.800 1.00 0.00 C ATOM 808 CG LYS A 63 -15.462 -2.630 4.918 1.00 0.00 C ATOM 809 CD LYS A 63 -15.923 -2.003 6.234 1.00 0.00 C ATOM 810 CE LYS A 63 -14.913 -2.330 7.337 1.00 0.00 C ATOM 811 NZ LYS A 63 -15.692 -2.255 8.605 1.00 0.00 N ATOM 0 H LYS A 63 -15.653 -0.874 1.575 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.316 -2.677 3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.744 -1.757 3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.396 -0.590 4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.086 -3.490 4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.440 -2.995 5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.017 -0.923 6.121 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.908 -2.382 6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.482 -3.321 7.196 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.086 -1.620 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.068 -2.467 9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.085 -1.298 8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.468 -2.947 8.577 1.00 0.00 H new ATOM 825 N LEU A 64 -17.699 0.487 3.897 1.00 0.00 N ATOM 826 CA LEU A 64 -18.668 1.378 4.603 1.00 0.00 C ATOM 827 C LEU A 64 -20.080 1.186 4.043 1.00 0.00 C ATOM 828 O LEU A 64 -21.062 1.461 4.703 1.00 0.00 O ATOM 829 CB LEU A 64 -18.178 2.796 4.323 1.00 0.00 C ATOM 830 CG LEU A 64 -16.873 3.042 5.077 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.048 4.090 4.329 1.00 0.00 C ATOM 832 CD2 LEU A 64 -17.190 3.547 6.486 1.00 0.00 C ATOM 0 H LEU A 64 -16.886 0.956 3.498 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.718 1.162 5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -18.024 2.934 3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -18.931 3.520 4.633 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.306 2.114 5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.115 4.269 4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.827 3.730 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.613 5.020 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -16.260 3.724 7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -17.754 4.477 6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -17.782 2.800 7.016 1.00 0.00 H new ATOM 844 N ASP A 65 -20.186 0.723 2.831 1.00 0.00 N ATOM 845 CA ASP A 65 -21.533 0.518 2.223 1.00 0.00 C ATOM 846 C ASP A 65 -22.004 -0.920 2.453 1.00 0.00 C ATOM 847 O ASP A 65 -23.186 -1.205 2.443 1.00 0.00 O ATOM 848 CB ASP A 65 -21.339 0.789 0.731 1.00 0.00 C ATOM 849 CG ASP A 65 -21.409 2.294 0.471 1.00 0.00 C ATOM 850 OD1 ASP A 65 -20.726 3.028 1.166 1.00 0.00 O ATOM 851 OD2 ASP A 65 -22.143 2.688 -0.420 1.00 0.00 O ATOM 0 H ASP A 65 -19.398 0.476 2.232 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.288 1.171 2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.377 0.397 0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -22.107 0.274 0.154 1.00 0.00 H new ATOM 856 N GLY A 66 -21.090 -1.828 2.657 1.00 0.00 N ATOM 857 CA GLY A 66 -21.484 -3.246 2.886 1.00 0.00 C ATOM 858 C GLY A 66 -21.293 -4.044 1.594 1.00 0.00 C ATOM 859 O GLY A 66 -22.183 -4.735 1.143 1.00 0.00 O ATOM 0 H GLY A 66 -20.086 -1.649 2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.881 -3.678 3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.524 -3.298 3.208 1.00 0.00 H new ATOM 863 N LEU A 67 -20.139 -3.950 0.992 1.00 0.00 N ATOM 864 CA LEU A 67 -19.894 -4.696 -0.273 1.00 0.00 C ATOM 865 C LEU A 67 -18.845 -5.786 -0.058 1.00 0.00 C ATOM 866 O LEU A 67 -18.988 -6.902 -0.520 1.00 0.00 O ATOM 867 CB LEU A 67 -19.363 -3.643 -1.246 1.00 0.00 C ATOM 868 CG LEU A 67 -20.320 -2.441 -1.290 1.00 0.00 C ATOM 869 CD1 LEU A 67 -20.070 -1.635 -2.567 1.00 0.00 C ATOM 870 CD2 LEU A 67 -21.775 -2.928 -1.285 1.00 0.00 C ATOM 0 H LEU A 67 -19.355 -3.388 1.323 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.794 -5.189 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.370 -3.317 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -19.261 -4.074 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 67 -20.143 -1.816 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.749 -0.783 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.040 -1.279 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.243 -2.269 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -22.446 -2.070 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -21.951 -3.558 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -21.963 -3.503 -0.378 1.00 0.00 H new ATOM 882 N ASP A 68 -17.785 -5.466 0.624 1.00 0.00 N ATOM 883 CA ASP A 68 -16.716 -6.473 0.856 1.00 0.00 C ATOM 884 C ASP A 68 -16.989 -7.267 2.144 1.00 0.00 C ATOM 885 O ASP A 68 -16.096 -7.859 2.718 1.00 0.00 O ATOM 886 CB ASP A 68 -15.426 -5.636 0.931 1.00 0.00 C ATOM 887 CG ASP A 68 -14.736 -5.772 2.294 1.00 0.00 C ATOM 888 OD1 ASP A 68 -15.111 -5.049 3.201 1.00 0.00 O ATOM 889 OD2 ASP A 68 -13.846 -6.599 2.405 1.00 0.00 O ATOM 0 H ASP A 68 -17.612 -4.548 1.032 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.653 -7.228 0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.741 -5.952 0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.662 -4.588 0.746 1.00 0.00 H new ATOM 894 N GLU A 69 -18.218 -7.287 2.589 1.00 0.00 N ATOM 895 CA GLU A 69 -18.565 -8.043 3.830 1.00 0.00 C ATOM 896 C GLU A 69 -17.730 -9.318 3.936 1.00 0.00 C ATOM 897 O GLU A 69 -17.336 -9.735 5.008 1.00 0.00 O ATOM 898 CB GLU A 69 -20.039 -8.399 3.666 1.00 0.00 C ATOM 899 CG GLU A 69 -20.256 -9.085 2.316 1.00 0.00 C ATOM 900 CD GLU A 69 -21.755 -9.188 2.029 1.00 0.00 C ATOM 901 OE1 GLU A 69 -22.505 -9.396 2.970 1.00 0.00 O ATOM 902 OE2 GLU A 69 -22.129 -9.058 0.876 1.00 0.00 O ATOM 0 H GLU A 69 -19.001 -6.809 2.144 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.371 -7.461 4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.356 -9.057 4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -20.650 -7.499 3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.762 -8.520 1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -19.808 -10.079 2.325 1.00 0.00 H new ATOM 909 N ASP A 70 -17.458 -9.938 2.824 1.00 0.00 N ATOM 910 CA ASP A 70 -16.647 -11.190 2.839 1.00 0.00 C ATOM 911 C ASP A 70 -15.151 -10.860 2.839 1.00 0.00 C ATOM 912 O ASP A 70 -14.385 -11.405 3.608 1.00 0.00 O ATOM 913 CB ASP A 70 -17.033 -11.928 1.557 1.00 0.00 C ATOM 914 CG ASP A 70 -18.554 -12.047 1.477 1.00 0.00 C ATOM 915 OD1 ASP A 70 -19.151 -12.442 2.466 1.00 0.00 O ATOM 916 OD2 ASP A 70 -19.100 -11.741 0.429 1.00 0.00 O ATOM 0 H ASP A 70 -17.763 -9.632 1.900 1.00 0.00 H new ATOM 0 HA ASP A 70 -16.836 -11.790 3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.653 -11.392 0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.579 -12.919 1.544 1.00 0.00 H new ATOM 921 N GLY A 71 -14.728 -9.972 1.981 1.00 0.00 N ATOM 922 CA GLY A 71 -13.281 -9.612 1.935 1.00 0.00 C ATOM 923 C GLY A 71 -12.732 -9.843 0.525 1.00 0.00 C ATOM 924 O GLY A 71 -11.537 -9.881 0.315 1.00 0.00 O ATOM 0 H GLY A 71 -15.320 -9.481 1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.148 -8.569 2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.725 -10.213 2.654 1.00 0.00 H new ATOM 928 N GLU A 72 -13.593 -9.997 -0.445 1.00 0.00 N ATOM 929 CA GLU A 72 -13.111 -10.224 -1.839 1.00 0.00 C ATOM 930 C GLU A 72 -12.481 -8.943 -2.394 1.00 0.00 C ATOM 931 O GLU A 72 -11.314 -8.906 -2.721 1.00 0.00 O ATOM 932 CB GLU A 72 -14.359 -10.599 -2.637 1.00 0.00 C ATOM 933 CG GLU A 72 -14.425 -12.119 -2.799 1.00 0.00 C ATOM 934 CD GLU A 72 -15.174 -12.464 -4.088 1.00 0.00 C ATOM 935 OE1 GLU A 72 -15.074 -11.697 -5.030 1.00 0.00 O ATOM 936 OE2 GLU A 72 -15.835 -13.489 -4.109 1.00 0.00 O ATOM 0 H GLU A 72 -14.607 -9.976 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.349 -11.002 -1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.252 -10.238 -2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.335 -10.119 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.418 -12.536 -2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.930 -12.565 -1.942 1.00 0.00 H new ATOM 943 N LYS A 73 -13.243 -7.888 -2.497 1.00 0.00 N ATOM 944 CA LYS A 73 -12.672 -6.615 -3.023 1.00 0.00 C ATOM 945 C LYS A 73 -11.513 -6.171 -2.131 1.00 0.00 C ATOM 946 O LYS A 73 -10.438 -5.859 -2.602 1.00 0.00 O ATOM 947 CB LYS A 73 -13.819 -5.607 -2.964 1.00 0.00 C ATOM 948 CG LYS A 73 -15.048 -6.192 -3.662 1.00 0.00 C ATOM 949 CD LYS A 73 -15.491 -5.256 -4.789 1.00 0.00 C ATOM 950 CE LYS A 73 -16.565 -5.942 -5.638 1.00 0.00 C ATOM 951 NZ LYS A 73 -17.785 -5.957 -4.781 1.00 0.00 N ATOM 0 H LYS A 73 -14.230 -7.852 -2.242 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.282 -6.715 -4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.055 -5.369 -1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.523 -4.675 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.816 -7.178 -4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.858 -6.323 -2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.882 -4.328 -4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.636 -4.991 -5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.741 -5.398 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.264 -6.953 -5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.632 -5.986 -5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.768 -6.797 -4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.807 -5.099 -4.193 1.00 0.00 H new ATOM 965 N GLU A 74 -11.721 -6.155 -0.842 1.00 0.00 N ATOM 966 CA GLU A 74 -10.624 -5.748 0.081 1.00 0.00 C ATOM 967 C GLU A 74 -9.425 -6.678 -0.112 1.00 0.00 C ATOM 968 O GLU A 74 -8.309 -6.354 0.241 1.00 0.00 O ATOM 969 CB GLU A 74 -11.210 -5.908 1.486 1.00 0.00 C ATOM 970 CG GLU A 74 -10.086 -5.831 2.523 1.00 0.00 C ATOM 971 CD GLU A 74 -10.604 -6.333 3.872 1.00 0.00 C ATOM 972 OE1 GLU A 74 -11.620 -7.008 3.881 1.00 0.00 O ATOM 973 OE2 GLU A 74 -9.973 -6.035 4.873 1.00 0.00 O ATOM 0 H GLU A 74 -12.600 -6.405 -0.390 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.278 -4.730 -0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.947 -5.127 1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.729 -6.863 1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.237 -6.433 2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.732 -4.804 2.616 1.00 0.00 H new ATOM 980 N ALA A 75 -9.653 -7.833 -0.676 1.00 0.00 N ATOM 981 CA ALA A 75 -8.533 -8.789 -0.900 1.00 0.00 C ATOM 982 C ALA A 75 -7.508 -8.177 -1.853 1.00 0.00 C ATOM 983 O ALA A 75 -6.320 -8.385 -1.715 1.00 0.00 O ATOM 984 CB ALA A 75 -9.178 -10.025 -1.530 1.00 0.00 C ATOM 0 H ALA A 75 -10.568 -8.155 -0.991 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.009 -9.034 0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.412 -10.776 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.923 -10.435 -0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.659 -9.746 -2.467 1.00 0.00 H new ATOM 990 N ARG A 76 -7.953 -7.421 -2.819 1.00 0.00 N ATOM 991 CA ARG A 76 -6.990 -6.798 -3.769 1.00 0.00 C ATOM 992 C ARG A 76 -6.102 -5.797 -3.030 1.00 0.00 C ATOM 993 O ARG A 76 -4.926 -5.672 -3.308 1.00 0.00 O ATOM 994 CB ARG A 76 -7.850 -6.083 -4.811 1.00 0.00 C ATOM 995 CG ARG A 76 -6.938 -5.415 -5.842 1.00 0.00 C ATOM 996 CD ARG A 76 -7.782 -4.618 -6.837 1.00 0.00 C ATOM 997 NE ARG A 76 -7.001 -4.641 -8.103 1.00 0.00 N ATOM 998 CZ ARG A 76 -7.591 -4.390 -9.239 1.00 0.00 C ATOM 999 NH1 ARG A 76 -8.631 -5.088 -9.603 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -7.140 -3.439 -10.012 1.00 0.00 N ATOM 0 H ARG A 76 -8.936 -7.209 -2.991 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.332 -7.535 -4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.514 -6.794 -5.302 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.482 -5.337 -4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.229 -4.755 -5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.354 -6.170 -6.368 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.766 -5.068 -6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.943 -3.597 -6.490 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.004 -4.853 -8.083 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.983 -5.831 -8.999 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.092 -4.891 -10.491 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.327 -2.893 -9.727 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.601 -3.242 -10.900 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.652 -5.088 -2.081 1.00 0.00 N ATOM 1015 CA LEU A 77 -5.834 -4.104 -1.319 1.00 0.00 C ATOM 1016 C LEU A 77 -4.797 -4.842 -0.479 1.00 0.00 C ATOM 1017 O LEU A 77 -3.673 -4.411 -0.340 1.00 0.00 O ATOM 1018 CB LEU A 77 -6.826 -3.371 -0.416 1.00 0.00 C ATOM 1019 CG LEU A 77 -7.892 -2.699 -1.279 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -9.063 -2.252 -0.403 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.300 -1.484 -1.987 1.00 0.00 C ATOM 0 H LEU A 77 -7.631 -5.148 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.297 -3.415 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.291 -4.072 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.306 -2.626 0.186 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.245 -3.414 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.820 -1.773 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.497 -3.119 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.708 -1.544 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.067 -1.011 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.937 -0.772 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.472 -1.800 -2.622 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.173 -5.953 0.080 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.214 -6.735 0.911 1.00 0.00 C ATOM 1035 C ILE A 78 -3.092 -7.300 0.031 1.00 0.00 C ATOM 1036 O ILE A 78 -1.929 -7.248 0.381 1.00 0.00 O ATOM 1037 CB ILE A 78 -5.045 -7.867 1.516 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -6.141 -7.275 2.404 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -4.141 -8.770 2.357 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -6.881 -8.405 3.124 1.00 0.00 C ATOM 0 H ILE A 78 -6.106 -6.358 -0.001 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.739 -6.125 1.679 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.500 -8.452 0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.704 -6.591 3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.839 -6.695 1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.733 -9.577 2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.359 -9.191 1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.686 -8.186 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.662 -7.983 3.757 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.331 -9.072 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.178 -8.966 3.740 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.433 -7.834 -1.112 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.389 -8.399 -2.017 1.00 0.00 C ATOM 1054 C ARG A 79 -1.557 -7.270 -2.631 1.00 0.00 C ATOM 1055 O ARG A 79 -0.401 -7.448 -2.958 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.162 -9.145 -3.103 1.00 0.00 C ATOM 1057 CG ARG A 79 -2.832 -10.638 -3.032 1.00 0.00 C ATOM 1058 CD ARG A 79 -3.134 -11.291 -4.381 1.00 0.00 C ATOM 1059 NE ARG A 79 -4.584 -11.043 -4.611 1.00 0.00 N ATOM 1060 CZ ARG A 79 -5.187 -11.580 -5.636 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -4.505 -12.264 -6.515 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -6.475 -11.430 -5.784 1.00 0.00 N ATOM 0 H ARG A 79 -4.390 -7.903 -1.458 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.697 -9.055 -1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.233 -8.992 -2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.902 -8.751 -4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.782 -10.777 -2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.418 -11.114 -2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.528 -10.855 -5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.914 -12.358 -4.361 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.107 -10.452 -3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.498 -12.380 -6.401 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.979 -12.683 -7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.008 -10.894 -5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.949 -11.849 -6.584 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.131 -6.108 -2.783 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.363 -4.969 -3.362 1.00 0.00 C ATOM 1078 C ASN A 80 -0.364 -4.464 -2.323 1.00 0.00 C ATOM 1079 O ASN A 80 0.790 -4.228 -2.615 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.410 -3.899 -3.669 1.00 0.00 C ATOM 1081 CG ASN A 80 -3.000 -4.136 -5.060 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -3.273 -5.260 -5.434 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -3.207 -3.117 -5.847 1.00 0.00 N ATOM 0 H ASN A 80 -3.097 -5.898 -2.532 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.801 -5.243 -4.255 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.201 -3.925 -2.919 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.957 -2.909 -3.620 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.598 -3.263 -6.778 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.978 -2.174 -5.532 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.804 -4.314 -1.103 1.00 0.00 N ATOM 1091 CA LEU A 81 0.109 -3.846 -0.029 1.00 0.00 C ATOM 1092 C LEU A 81 1.172 -4.912 0.229 1.00 0.00 C ATOM 1093 O LEU A 81 2.309 -4.611 0.499 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.780 -3.663 1.200 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.484 -2.307 1.839 1.00 0.00 C ATOM 1096 CD1 LEU A 81 1.027 -2.143 2.012 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -1.016 -1.197 0.931 1.00 0.00 C ATOM 0 H LEU A 81 -1.762 -4.497 -0.806 1.00 0.00 H new ATOM 0 HA LEU A 81 0.627 -2.922 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.831 -3.722 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.598 -4.463 1.917 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.968 -2.248 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.238 -1.176 2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.408 -2.937 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.513 -2.199 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.808 -0.227 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.528 -1.257 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.092 -1.315 0.805 1.00 0.00 H new ATOM 1109 N ASN A 82 0.810 -6.159 0.131 1.00 0.00 N ATOM 1110 CA ASN A 82 1.807 -7.239 0.347 1.00 0.00 C ATOM 1111 C ASN A 82 2.727 -7.314 -0.874 1.00 0.00 C ATOM 1112 O ASN A 82 3.888 -7.655 -0.774 1.00 0.00 O ATOM 1113 CB ASN A 82 0.980 -8.518 0.493 1.00 0.00 C ATOM 1114 CG ASN A 82 0.738 -8.803 1.977 1.00 0.00 C ATOM 1115 OD1 ASN A 82 1.627 -8.646 2.790 1.00 0.00 O ATOM 1116 ND2 ASN A 82 -0.437 -9.216 2.366 1.00 0.00 N ATOM 0 H ASN A 82 -0.134 -6.476 -0.090 1.00 0.00 H new ATOM 0 HA ASN A 82 2.437 -7.076 1.222 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.028 -8.410 -0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.502 -9.356 0.031 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.609 -9.407 3.353 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.183 -9.348 1.683 1.00 0.00 H new ATOM 1123 N VAL A 83 2.214 -6.969 -2.025 1.00 0.00 N ATOM 1124 CA VAL A 83 3.052 -6.990 -3.256 1.00 0.00 C ATOM 1125 C VAL A 83 4.142 -5.928 -3.126 1.00 0.00 C ATOM 1126 O VAL A 83 5.313 -6.190 -3.315 1.00 0.00 O ATOM 1127 CB VAL A 83 2.081 -6.651 -4.392 1.00 0.00 C ATOM 1128 CG1 VAL A 83 2.849 -6.104 -5.597 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.327 -7.916 -4.807 1.00 0.00 C ATOM 0 H VAL A 83 1.248 -6.673 -2.164 1.00 0.00 H new ATOM 0 HA VAL A 83 3.547 -7.945 -3.431 1.00 0.00 H new ATOM 0 HB VAL A 83 1.377 -5.895 -4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.149 -5.867 -6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.387 -5.202 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.559 -6.853 -5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.635 -7.679 -5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.038 -8.668 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.770 -8.304 -3.954 1.00 0.00 H new ATOM 1139 N ILE A 84 3.758 -4.733 -2.774 1.00 0.00 N ATOM 1140 CA ILE A 84 4.753 -3.646 -2.591 1.00 0.00 C ATOM 1141 C ILE A 84 5.688 -4.034 -1.451 1.00 0.00 C ATOM 1142 O ILE A 84 6.891 -4.046 -1.590 1.00 0.00 O ATOM 1143 CB ILE A 84 3.889 -2.440 -2.227 1.00 0.00 C ATOM 1144 CG1 ILE A 84 2.923 -2.169 -3.378 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.757 -1.206 -1.986 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.776 -1.297 -2.878 1.00 0.00 C ATOM 0 H ILE A 84 2.789 -4.463 -2.604 1.00 0.00 H new ATOM 0 HA ILE A 84 5.380 -3.448 -3.460 1.00 0.00 H new ATOM 0 HB ILE A 84 3.339 -2.655 -1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.444 -1.671 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.536 -3.109 -3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.121 -0.359 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.449 -1.402 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.320 -0.975 -2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.084 -1.101 -3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.250 -1.813 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.173 -0.353 -2.505 1.00 0.00 H new ATOM 1158 N LEU A 85 5.130 -4.386 -0.331 1.00 0.00 N ATOM 1159 CA LEU A 85 5.961 -4.814 0.824 1.00 0.00 C ATOM 1160 C LEU A 85 6.787 -6.028 0.421 1.00 0.00 C ATOM 1161 O LEU A 85 7.793 -6.343 1.024 1.00 0.00 O ATOM 1162 CB LEU A 85 4.948 -5.176 1.905 1.00 0.00 C ATOM 1163 CG LEU A 85 4.210 -3.912 2.325 1.00 0.00 C ATOM 1164 CD1 LEU A 85 3.190 -4.251 3.410 1.00 0.00 C ATOM 1165 CD2 LEU A 85 5.216 -2.898 2.858 1.00 0.00 C ATOM 0 H LEU A 85 4.124 -4.396 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 85 6.659 -4.049 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.243 -5.918 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.453 -5.621 2.762 1.00 0.00 H new ATOM 0 HG LEU A 85 3.688 -3.489 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.663 -3.345 3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.474 -4.976 3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.704 -4.674 4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.693 -1.991 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.737 -3.320 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.938 -2.657 2.078 1.00 0.00 H new ATOM 1177 N ALA A 86 6.369 -6.706 -0.609 1.00 0.00 N ATOM 1178 CA ALA A 86 7.134 -7.894 -1.080 1.00 0.00 C ATOM 1179 C ALA A 86 8.261 -7.427 -2.005 1.00 0.00 C ATOM 1180 O ALA A 86 9.302 -8.047 -2.102 1.00 0.00 O ATOM 1181 CB ALA A 86 6.119 -8.744 -1.848 1.00 0.00 C ATOM 0 H ALA A 86 5.530 -6.489 -1.146 1.00 0.00 H new ATOM 0 HA ALA A 86 7.588 -8.458 -0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.609 -9.641 -2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.305 -9.030 -1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.719 -8.168 -2.683 1.00 0.00 H new ATOM 1187 N LYS A 87 8.056 -6.327 -2.677 1.00 0.00 N ATOM 1188 CA LYS A 87 9.101 -5.789 -3.595 1.00 0.00 C ATOM 1189 C LYS A 87 10.122 -4.969 -2.808 1.00 0.00 C ATOM 1190 O LYS A 87 11.228 -4.737 -3.252 1.00 0.00 O ATOM 1191 CB LYS A 87 8.341 -4.868 -4.546 1.00 0.00 C ATOM 1192 CG LYS A 87 9.292 -4.350 -5.622 1.00 0.00 C ATOM 1193 CD LYS A 87 8.519 -3.474 -6.607 1.00 0.00 C ATOM 1194 CE LYS A 87 8.617 -4.078 -8.010 1.00 0.00 C ATOM 1195 NZ LYS A 87 7.529 -3.423 -8.789 1.00 0.00 N ATOM 0 H LYS A 87 7.201 -5.773 -2.629 1.00 0.00 H new ATOM 0 HA LYS A 87 9.641 -6.582 -4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.513 -5.407 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.910 -4.033 -3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.098 -3.777 -5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.754 -5.186 -6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.475 -3.400 -6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.924 -2.462 -6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.593 -3.885 -8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.487 -5.160 -7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.532 -3.786 -9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.611 -3.630 -8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.683 -2.394 -8.803 1.00 0.00 H new ATOM 1209 N TYR A 88 9.743 -4.510 -1.652 1.00 0.00 N ATOM 1210 CA TYR A 88 10.669 -3.680 -0.836 1.00 0.00 C ATOM 1211 C TYR A 88 10.813 -4.262 0.565 1.00 0.00 C ATOM 1212 O TYR A 88 11.521 -3.726 1.395 1.00 0.00 O ATOM 1213 CB TYR A 88 9.991 -2.310 -0.754 1.00 0.00 C ATOM 1214 CG TYR A 88 9.430 -1.925 -2.098 1.00 0.00 C ATOM 1215 CD1 TYR A 88 10.293 -1.633 -3.156 1.00 0.00 C ATOM 1216 CD2 TYR A 88 8.047 -1.856 -2.277 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.774 -1.273 -4.401 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.519 -1.498 -3.524 1.00 0.00 C ATOM 1219 CZ TYR A 88 8.384 -1.207 -4.589 1.00 0.00 C ATOM 1220 OH TYR A 88 7.870 -0.850 -5.818 1.00 0.00 O ATOM 0 H TYR A 88 8.827 -4.674 -1.234 1.00 0.00 H new ATOM 0 HA TYR A 88 11.667 -3.634 -1.272 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.193 -2.335 -0.012 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.709 -1.560 -0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.362 -1.686 -3.011 1.00 0.00 H new ATOM 0 HD2 TYR A 88 7.384 -2.079 -1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.441 -1.045 -5.219 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.449 -1.446 -3.665 1.00 0.00 H new ATOM 0 HH TYR A 88 8.578 -0.450 -6.365 1.00 0.00 H new ATOM 1230 N GLY A 89 10.133 -5.339 0.845 1.00 0.00 N ATOM 1231 CA GLY A 89 10.219 -5.930 2.209 1.00 0.00 C ATOM 1232 C GLY A 89 10.122 -4.793 3.227 1.00 0.00 C ATOM 1233 O GLY A 89 10.783 -4.795 4.245 1.00 0.00 O ATOM 0 H GLY A 89 9.525 -5.833 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.414 -6.649 2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.157 -6.471 2.331 1.00 0.00 H new ATOM 1237 N LEU A 90 9.308 -3.810 2.940 1.00 0.00 N ATOM 1238 CA LEU A 90 9.171 -2.654 3.865 1.00 0.00 C ATOM 1239 C LEU A 90 8.634 -3.114 5.224 1.00 0.00 C ATOM 1240 O LEU A 90 9.042 -2.626 6.258 1.00 0.00 O ATOM 1241 CB LEU A 90 8.171 -1.737 3.165 1.00 0.00 C ATOM 1242 CG LEU A 90 8.896 -0.867 2.135 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.867 -0.209 1.206 1.00 0.00 C ATOM 1244 CD2 LEU A 90 9.701 0.207 2.862 1.00 0.00 C ATOM 0 H LEU A 90 8.731 -3.761 2.100 1.00 0.00 H new ATOM 0 HA LEU A 90 10.121 -2.158 4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.401 -2.332 2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.668 -1.106 3.898 1.00 0.00 H new ATOM 0 HG LEU A 90 9.570 -1.484 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.383 0.411 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.296 -0.981 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.191 0.412 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.219 0.829 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.028 0.827 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.431 -0.267 3.518 1.00 0.00 H new ATOM 1256 N ASP A 91 7.724 -4.048 5.231 1.00 0.00 N ATOM 1257 CA ASP A 91 7.167 -4.530 6.530 1.00 0.00 C ATOM 1258 C ASP A 91 6.801 -6.014 6.439 1.00 0.00 C ATOM 1259 O ASP A 91 5.671 -6.399 6.668 1.00 0.00 O ATOM 1260 CB ASP A 91 5.916 -3.683 6.760 1.00 0.00 C ATOM 1261 CG ASP A 91 5.502 -3.773 8.230 1.00 0.00 C ATOM 1262 OD1 ASP A 91 6.039 -3.018 9.024 1.00 0.00 O ATOM 1263 OD2 ASP A 91 4.654 -4.594 8.538 1.00 0.00 O ATOM 0 H ASP A 91 7.342 -4.498 4.399 1.00 0.00 H new ATOM 0 HA ASP A 91 7.884 -4.434 7.345 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.112 -2.645 6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.105 -4.032 6.121 1.00 0.00 H new ATOM 1268 N GLY A 92 7.746 -6.850 6.110 1.00 0.00 N ATOM 1269 CA GLY A 92 7.451 -8.308 6.007 1.00 0.00 C ATOM 1270 C GLY A 92 8.077 -8.865 4.728 1.00 0.00 C ATOM 1271 O GLY A 92 8.785 -8.175 4.022 1.00 0.00 O ATOM 0 H GLY A 92 8.711 -6.587 5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.847 -8.832 6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.373 -8.472 5.999 1.00 0.00 H new ATOM 1275 N LYS A 93 7.822 -10.107 4.420 1.00 0.00 N ATOM 1276 CA LYS A 93 8.406 -10.699 3.183 1.00 0.00 C ATOM 1277 C LYS A 93 9.888 -10.330 3.075 1.00 0.00 C ATOM 1278 O LYS A 93 10.277 -9.516 2.261 1.00 0.00 O ATOM 1279 CB LYS A 93 7.612 -10.078 2.033 1.00 0.00 C ATOM 1280 CG LYS A 93 6.119 -10.091 2.373 1.00 0.00 C ATOM 1281 CD LYS A 93 5.317 -10.500 1.136 1.00 0.00 C ATOM 1282 CE LYS A 93 4.681 -11.873 1.367 1.00 0.00 C ATOM 1283 NZ LYS A 93 5.828 -12.820 1.441 1.00 0.00 N ATOM 0 H LYS A 93 7.236 -10.736 4.969 1.00 0.00 H new ATOM 0 HA LYS A 93 8.347 -11.787 3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.946 -9.055 1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.790 -10.634 1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.927 -10.787 3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.804 -9.105 2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.544 -9.760 0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.968 -10.532 0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.097 -11.888 2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.003 -12.136 0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.489 -13.789 1.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.532 -12.570 0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.265 -12.763 2.383 1.00 0.00 H new ATOM 1297 N LYS A 94 10.717 -10.923 3.893 1.00 0.00 N ATOM 1298 CA LYS A 94 12.180 -10.611 3.848 1.00 0.00 C ATOM 1299 C LYS A 94 12.879 -11.157 5.097 1.00 0.00 C ATOM 1300 O LYS A 94 14.074 -11.376 5.103 1.00 0.00 O ATOM 1301 CB LYS A 94 12.275 -9.083 3.816 1.00 0.00 C ATOM 1302 CG LYS A 94 12.910 -8.641 2.496 1.00 0.00 C ATOM 1303 CD LYS A 94 14.347 -9.159 2.420 1.00 0.00 C ATOM 1304 CE LYS A 94 15.293 -8.138 3.057 1.00 0.00 C ATOM 1305 NZ LYS A 94 16.651 -8.524 2.580 1.00 0.00 N ATOM 0 H LYS A 94 10.445 -11.613 4.594 1.00 0.00 H new ATOM 0 HA LYS A 94 12.662 -11.066 2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.283 -8.644 3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.871 -8.727 4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.330 -9.023 1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.900 -7.554 2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 94 14.427 -10.116 2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 94 14.628 -9.332 1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.041 -7.122 2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.233 -8.169 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 17.357 -7.870 2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.866 -9.493 2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 16.680 -8.479 1.541 1.00 0.00 H new ATOM 1319 N ASP A 95 12.146 -11.371 6.156 1.00 0.00 N ATOM 1320 CA ASP A 95 12.769 -11.897 7.407 1.00 0.00 C ATOM 1321 C ASP A 95 13.729 -13.047 7.087 1.00 0.00 C ATOM 1322 O ASP A 95 13.805 -13.514 5.969 1.00 0.00 O ATOM 1323 CB ASP A 95 11.597 -12.397 8.249 1.00 0.00 C ATOM 1324 CG ASP A 95 11.651 -11.751 9.635 1.00 0.00 C ATOM 1325 OD1 ASP A 95 11.242 -10.608 9.749 1.00 0.00 O ATOM 1326 OD2 ASP A 95 12.102 -12.410 10.557 1.00 0.00 O ATOM 0 H ASP A 95 11.141 -11.204 6.210 1.00 0.00 H new ATOM 0 HA ASP A 95 13.353 -11.137 7.926 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.654 -12.154 7.759 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.638 -13.482 8.340 1.00 0.00 H new ATOM 1331 N ALA A 96 14.462 -13.505 8.066 1.00 0.00 N ATOM 1332 CA ALA A 96 15.419 -14.624 7.827 1.00 0.00 C ATOM 1333 C ALA A 96 16.476 -14.206 6.802 1.00 0.00 C ATOM 1334 O ALA A 96 16.238 -14.218 5.611 1.00 0.00 O ATOM 1335 CB ALA A 96 14.567 -15.772 7.284 1.00 0.00 C ATOM 0 H ALA A 96 14.439 -13.152 9.023 1.00 0.00 H new ATOM 0 HA ALA A 96 15.952 -14.910 8.734 1.00 0.00 H new ATOM 0 HB1 ALA A 96 15.203 -16.634 7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.810 -16.043 8.020 1.00 0.00 H new ATOM 0 HB3 ALA A 96 14.080 -15.458 6.361 1.00 0.00 H new ATOM 1341 N ARG A 97 17.643 -13.839 7.258 1.00 0.00 N ATOM 1342 CA ARG A 97 18.715 -13.424 6.310 1.00 0.00 C ATOM 1343 C ARG A 97 19.807 -14.495 6.245 1.00 0.00 C ATOM 1344 O ARG A 97 20.911 -14.163 5.845 1.00 0.00 O ATOM 1345 CB ARG A 97 19.275 -12.125 6.890 1.00 0.00 C ATOM 1346 CG ARG A 97 18.195 -11.042 6.854 1.00 0.00 C ATOM 1347 CD ARG A 97 18.746 -9.795 6.161 1.00 0.00 C ATOM 1348 NE ARG A 97 19.969 -9.434 6.931 1.00 0.00 N ATOM 1349 CZ ARG A 97 20.557 -8.288 6.722 1.00 0.00 C ATOM 1350 NH1 ARG A 97 20.157 -7.223 7.360 1.00 0.00 N ATOM 1351 NH2 ARG A 97 21.545 -8.207 5.873 1.00 0.00 N ATOM 1352 OXT ARG A 97 19.520 -15.627 6.597 1.00 0.00 O ATOM 0 H ARG A 97 17.900 -13.809 8.245 1.00 0.00 H new ATOM 0 HA ARG A 97 18.340 -13.290 5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 97 19.609 -12.286 7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 97 20.146 -11.804 6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 97 17.316 -11.408 6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 97 17.877 -10.797 7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 97 18.983 -9.996 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 97 18.019 -8.983 6.172 1.00 0.00 H new ATOM 0 HE ARG A 97 20.347 -10.083 7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 97 19.384 -7.286 8.023 1.00 0.00 H new ATOM 0 HH12 ARG A 97 20.617 -6.327 7.196 1.00 0.00 H new ATOM 0 HH21 ARG A 97 21.857 -9.039 5.373 1.00 0.00 H new ATOM 0 HH22 ARG A 97 22.005 -7.311 5.709 1.00 0.00 H new TER 1366 ARG A 97