USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 HIS : no HD1:sc= 0.115 K(o=0.39,f=-0.34) USER MOD Set 1.2: A 92 SER OG : rot 115:sc= 0.273 USER MOD Set 2.1: A 69 LYS NZ :NH3+ -158:sc= -0.0401 (180deg=-0.401) USER MOD Set 2.2: A 71 GLN : amide:sc= -0.0279 K(o=-0.068,f=-2.8) USER MOD Single : A 38 SER OG : rot 41:sc= 0.066 USER MOD Single : A 39 SER OG : rot 35:sc= 0.176 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0.816 (180deg=0.479) USER MOD Single : A 50 LYS NZ :NH3+ -117:sc= -0.1 (180deg=-1.34!) USER MOD Single : A 52 MET CE :methyl -167:sc= -2.74! (180deg=-2.93!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -8.6! C(o=-8.6!,f=-5.8!) USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 0.321 (180deg=0.259) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 152:sc= -0.837 (180deg=-2.63!) USER MOD Single : A 74 ASN : amide:sc= -2.81! C(o=-2.8!,f=-10!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 27:sc= 1.12 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -148:sc= -0.216 (180deg=-0.561) USER MOD Single : A 108 LYS NZ :NH3+ 175:sc= 0.00349 (180deg=0.000742) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot -52:sc= 0.866 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 37 -3.922 4.938 22.321 1.00 0.00 N ATOM 2 CA GLY A 37 -2.730 5.714 22.609 1.00 0.00 C ATOM 3 C GLY A 37 -1.876 5.944 21.378 1.00 0.00 C ATOM 4 O GLY A 37 -1.551 5.002 20.655 1.00 0.00 O ATOM 0 HA2 GLY A 37 -3.020 6.676 23.031 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.139 5.199 23.366 1.00 0.00 H new ATOM 8 N SER A 38 -1.513 7.200 21.138 1.00 0.00 N ATOM 9 CA SER A 38 -0.697 7.552 19.982 1.00 0.00 C ATOM 10 C SER A 38 0.762 7.167 20.210 1.00 0.00 C ATOM 11 O SER A 38 1.346 7.489 21.244 1.00 0.00 O ATOM 12 CB SER A 38 -0.802 9.051 19.695 1.00 0.00 C ATOM 13 OG SER A 38 -0.436 9.815 20.831 1.00 0.00 O ATOM 0 H SER A 38 -1.771 7.991 21.729 1.00 0.00 H new ATOM 0 HA SER A 38 -1.071 6.997 19.121 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.157 9.310 18.856 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.822 9.297 19.400 1.00 0.00 H new ATOM 0 HG SER A 38 0.344 9.408 21.262 1.00 0.00 H new ATOM 19 N SER A 39 1.344 6.475 19.236 1.00 0.00 N ATOM 20 CA SER A 39 2.733 6.042 19.330 1.00 0.00 C ATOM 21 C SER A 39 3.684 7.201 19.048 1.00 0.00 C ATOM 22 O SER A 39 3.589 7.860 18.014 1.00 0.00 O ATOM 23 CB SER A 39 3.001 4.898 18.350 1.00 0.00 C ATOM 24 OG SER A 39 2.657 5.270 17.026 1.00 0.00 O ATOM 0 H SER A 39 0.875 6.202 18.372 1.00 0.00 H new ATOM 0 HA SER A 39 2.909 5.689 20.346 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.054 4.619 18.391 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.427 4.020 18.645 1.00 0.00 H new ATOM 0 HG SER A 39 2.853 6.221 16.892 1.00 0.00 H new ATOM 30 N GLY A 40 4.602 7.445 19.979 1.00 0.00 N ATOM 31 CA GLY A 40 5.558 8.524 19.813 1.00 0.00 C ATOM 32 C GLY A 40 6.090 8.616 18.397 1.00 0.00 C ATOM 33 O GLY A 40 6.336 7.596 17.752 1.00 0.00 O ATOM 0 H GLY A 40 4.700 6.915 20.845 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.085 9.469 20.082 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.390 8.377 20.501 1.00 0.00 H new ATOM 37 N SER A 41 6.266 9.840 17.910 1.00 0.00 N ATOM 38 CA SER A 41 6.767 10.060 16.558 1.00 0.00 C ATOM 39 C SER A 41 8.280 10.261 16.566 1.00 0.00 C ATOM 40 O SER A 41 8.870 10.580 17.598 1.00 0.00 O ATOM 41 CB SER A 41 6.083 11.275 15.930 1.00 0.00 C ATOM 42 OG SER A 41 4.696 11.045 15.755 1.00 0.00 O ATOM 0 H SER A 41 6.069 10.694 18.431 1.00 0.00 H new ATOM 0 HA SER A 41 6.538 9.176 15.963 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.233 12.149 16.564 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.542 11.498 14.967 1.00 0.00 H new ATOM 0 HG SER A 41 4.281 11.837 15.354 1.00 0.00 H new ATOM 48 N SER A 42 8.901 10.073 15.406 1.00 0.00 N ATOM 49 CA SER A 42 10.345 10.230 15.278 1.00 0.00 C ATOM 50 C SER A 42 10.714 10.760 13.896 1.00 0.00 C ATOM 51 O SER A 42 10.044 10.466 12.907 1.00 0.00 O ATOM 52 CB SER A 42 11.049 8.895 15.529 1.00 0.00 C ATOM 53 OG SER A 42 12.456 9.057 15.555 1.00 0.00 O ATOM 0 H SER A 42 8.427 9.812 14.542 1.00 0.00 H new ATOM 0 HA SER A 42 10.674 10.952 16.025 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.711 8.474 16.476 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.776 8.184 14.749 1.00 0.00 H new ATOM 0 HG SER A 42 12.882 8.190 15.719 1.00 0.00 H new ATOM 59 N GLY A 43 11.786 11.544 13.836 1.00 0.00 N ATOM 60 CA GLY A 43 12.227 12.103 12.571 1.00 0.00 C ATOM 61 C GLY A 43 13.020 11.111 11.744 1.00 0.00 C ATOM 62 O GLY A 43 14.011 11.475 11.110 1.00 0.00 O ATOM 0 H GLY A 43 12.357 11.802 14.641 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.359 12.434 12.001 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.839 12.985 12.761 1.00 0.00 H new ATOM 66 N GLN A 44 12.585 9.856 11.750 1.00 0.00 N ATOM 67 CA GLN A 44 13.264 8.809 10.996 1.00 0.00 C ATOM 68 C GLN A 44 12.415 8.350 9.815 1.00 0.00 C ATOM 69 O GLN A 44 12.935 8.067 8.736 1.00 0.00 O ATOM 70 CB GLN A 44 13.580 7.619 11.905 1.00 0.00 C ATOM 71 CG GLN A 44 14.716 7.882 12.880 1.00 0.00 C ATOM 72 CD GLN A 44 16.082 7.703 12.246 1.00 0.00 C ATOM 73 OE1 GLN A 44 16.598 6.589 12.160 1.00 0.00 O ATOM 74 NE2 GLN A 44 16.675 8.803 11.797 1.00 0.00 N ATOM 0 H GLN A 44 11.766 9.539 12.268 1.00 0.00 H new ATOM 0 HA GLN A 44 14.197 9.221 10.611 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.684 7.354 12.467 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.835 6.758 11.287 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.630 8.897 13.267 1.00 0.00 H new ATOM 0 HG3 GLN A 44 14.623 7.207 13.731 1.00 0.00 H new ATOM 0 HE21 GLN A 44 16.211 9.707 11.889 1.00 0.00 H new ATOM 0 HE22 GLN A 44 17.595 8.744 11.360 1.00 0.00 H new ATOM 83 N LYS A 45 11.105 8.279 10.027 1.00 0.00 N ATOM 84 CA LYS A 45 10.182 7.856 8.981 1.00 0.00 C ATOM 85 C LYS A 45 10.345 8.716 7.732 1.00 0.00 C ATOM 86 O LYS A 45 10.161 8.242 6.611 1.00 0.00 O ATOM 87 CB LYS A 45 8.739 7.934 9.483 1.00 0.00 C ATOM 88 CG LYS A 45 8.469 7.061 10.696 1.00 0.00 C ATOM 89 CD LYS A 45 8.529 5.584 10.345 1.00 0.00 C ATOM 90 CE LYS A 45 8.933 4.742 11.546 1.00 0.00 C ATOM 91 NZ LYS A 45 9.431 3.399 11.139 1.00 0.00 N ATOM 0 H LYS A 45 10.659 8.509 10.915 1.00 0.00 H new ATOM 0 HA LYS A 45 10.414 6.823 8.722 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.505 8.969 9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.066 7.640 8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.200 7.281 11.474 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.487 7.299 11.105 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.556 5.256 9.980 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.242 5.430 9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.708 5.261 12.110 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.078 4.626 12.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.867 2.928 11.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.636 2.825 10.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.138 3.505 10.383 1.00 0.00 H new ATOM 105 N VAL A 46 10.692 9.984 7.933 1.00 0.00 N ATOM 106 CA VAL A 46 10.882 10.909 6.822 1.00 0.00 C ATOM 107 C VAL A 46 11.432 10.191 5.596 1.00 0.00 C ATOM 108 O VAL A 46 10.765 10.104 4.565 1.00 0.00 O ATOM 109 CB VAL A 46 11.838 12.055 7.204 1.00 0.00 C ATOM 110 CG1 VAL A 46 12.075 12.972 6.014 1.00 0.00 C ATOM 111 CG2 VAL A 46 11.286 12.836 8.388 1.00 0.00 C ATOM 0 H VAL A 46 10.847 10.393 8.854 1.00 0.00 H new ATOM 0 HA VAL A 46 9.903 11.325 6.586 1.00 0.00 H new ATOM 0 HB VAL A 46 12.796 11.624 7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.753 13.775 6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.516 12.401 5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.126 13.398 5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.974 13.642 8.645 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.315 13.257 8.126 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.173 12.169 9.243 1.00 0.00 H new ATOM 121 N GLU A 47 12.652 9.677 5.715 1.00 0.00 N ATOM 122 CA GLU A 47 13.292 8.965 4.615 1.00 0.00 C ATOM 123 C GLU A 47 12.309 8.014 3.937 1.00 0.00 C ATOM 124 O GLU A 47 12.050 8.122 2.739 1.00 0.00 O ATOM 125 CB GLU A 47 14.507 8.185 5.120 1.00 0.00 C ATOM 126 CG GLU A 47 15.701 9.066 5.450 1.00 0.00 C ATOM 127 CD GLU A 47 16.251 9.783 4.233 1.00 0.00 C ATOM 128 OE1 GLU A 47 15.583 10.716 3.741 1.00 0.00 O ATOM 129 OE2 GLU A 47 17.351 9.410 3.773 1.00 0.00 O ATOM 0 H GLU A 47 13.217 9.740 6.562 1.00 0.00 H new ATOM 0 HA GLU A 47 13.622 9.702 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.223 7.623 6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.801 7.457 4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.409 9.802 6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.487 8.455 5.893 1.00 0.00 H new ATOM 136 N PHE A 48 11.766 7.083 4.714 1.00 0.00 N ATOM 137 CA PHE A 48 10.813 6.111 4.190 1.00 0.00 C ATOM 138 C PHE A 48 9.769 6.793 3.310 1.00 0.00 C ATOM 139 O PHE A 48 9.588 6.428 2.148 1.00 0.00 O ATOM 140 CB PHE A 48 10.123 5.371 5.338 1.00 0.00 C ATOM 141 CG PHE A 48 9.151 4.323 4.877 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.600 3.167 4.258 1.00 0.00 C ATOM 143 CD2 PHE A 48 7.789 4.493 5.064 1.00 0.00 C ATOM 144 CE1 PHE A 48 8.707 2.202 3.833 1.00 0.00 C ATOM 145 CE2 PHE A 48 6.891 3.531 4.641 1.00 0.00 C ATOM 146 CZ PHE A 48 7.351 2.383 4.025 1.00 0.00 C ATOM 0 H PHE A 48 11.969 6.981 5.708 1.00 0.00 H new ATOM 0 HA PHE A 48 11.363 5.392 3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.881 4.901 5.965 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.597 6.094 5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.659 3.019 4.106 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.424 5.388 5.546 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.069 1.306 3.351 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.832 3.677 4.792 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.652 1.629 3.694 1.00 0.00 H new ATOM 156 N ARG A 49 9.086 7.784 3.872 1.00 0.00 N ATOM 157 CA ARG A 49 8.059 8.516 3.140 1.00 0.00 C ATOM 158 C ARG A 49 8.562 8.923 1.758 1.00 0.00 C ATOM 159 O ARG A 49 7.864 8.757 0.758 1.00 0.00 O ATOM 160 CB ARG A 49 7.630 9.757 3.925 1.00 0.00 C ATOM 161 CG ARG A 49 6.220 10.225 3.602 1.00 0.00 C ATOM 162 CD ARG A 49 5.730 11.252 4.610 1.00 0.00 C ATOM 163 NE ARG A 49 4.575 11.996 4.116 1.00 0.00 N ATOM 164 CZ ARG A 49 3.803 12.753 4.887 1.00 0.00 C ATOM 165 NH1 ARG A 49 4.061 12.865 6.183 1.00 0.00 N ATOM 166 NH2 ARG A 49 2.769 13.400 4.363 1.00 0.00 N ATOM 0 H ARG A 49 9.225 8.099 4.832 1.00 0.00 H new ATOM 0 HA ARG A 49 7.199 7.858 3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.697 9.543 4.992 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.329 10.567 3.718 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.199 10.657 2.601 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.544 9.370 3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.466 10.749 5.541 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.537 11.947 4.841 1.00 0.00 H new ATOM 0 HE ARG A 49 4.348 11.931 3.124 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.854 12.369 6.590 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.466 13.447 6.773 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.567 13.316 3.367 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.177 13.981 4.957 1.00 0.00 H new ATOM 180 N LYS A 50 9.778 9.456 1.711 1.00 0.00 N ATOM 181 CA LYS A 50 10.377 9.887 0.453 1.00 0.00 C ATOM 182 C LYS A 50 10.372 8.753 -0.568 1.00 0.00 C ATOM 183 O LYS A 50 9.849 8.902 -1.672 1.00 0.00 O ATOM 184 CB LYS A 50 11.809 10.372 0.686 1.00 0.00 C ATOM 185 CG LYS A 50 11.929 11.407 1.791 1.00 0.00 C ATOM 186 CD LYS A 50 11.229 12.703 1.418 1.00 0.00 C ATOM 187 CE LYS A 50 12.131 13.606 0.591 1.00 0.00 C ATOM 188 NZ LYS A 50 12.007 13.328 -0.867 1.00 0.00 N ATOM 0 H LYS A 50 10.369 9.600 2.530 1.00 0.00 H new ATOM 0 HA LYS A 50 9.781 10.710 0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.438 9.516 0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.195 10.796 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.498 11.011 2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.982 11.606 1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.322 12.479 0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.921 13.225 2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.878 14.648 0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.167 13.467 0.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.920 12.992 -1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.282 12.598 -1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.732 14.199 -1.364 1.00 0.00 H new ATOM 202 N ARG A 51 10.956 7.621 -0.190 1.00 0.00 N ATOM 203 CA ARG A 51 11.019 6.462 -1.073 1.00 0.00 C ATOM 204 C ARG A 51 9.649 6.162 -1.674 1.00 0.00 C ATOM 205 O ARG A 51 9.500 6.079 -2.893 1.00 0.00 O ATOM 206 CB ARG A 51 11.531 5.239 -0.310 1.00 0.00 C ATOM 207 CG ARG A 51 11.907 4.073 -1.209 1.00 0.00 C ATOM 208 CD ARG A 51 12.689 3.013 -0.449 1.00 0.00 C ATOM 209 NE ARG A 51 12.971 1.843 -1.276 1.00 0.00 N ATOM 210 CZ ARG A 51 13.977 1.007 -1.048 1.00 0.00 C ATOM 211 NH1 ARG A 51 14.794 1.211 -0.023 1.00 0.00 N ATOM 212 NH2 ARG A 51 14.169 -0.037 -1.845 1.00 0.00 N ATOM 0 H ARG A 51 11.392 7.481 0.721 1.00 0.00 H new ATOM 0 HA ARG A 51 11.711 6.692 -1.883 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.401 5.527 0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.764 4.912 0.392 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.004 3.630 -1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.503 4.435 -2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.627 3.440 -0.093 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.124 2.707 0.431 1.00 0.00 H new ATOM 0 HE ARG A 51 12.362 1.658 -2.073 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.650 2.012 0.592 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.566 0.567 0.150 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.543 -0.198 -2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.942 -0.678 -1.668 1.00 0.00 H new ATOM 226 N MET A 52 8.652 6.001 -0.811 1.00 0.00 N ATOM 227 CA MET A 52 7.294 5.711 -1.257 1.00 0.00 C ATOM 228 C MET A 52 6.857 6.692 -2.341 1.00 0.00 C ATOM 229 O MET A 52 6.338 6.289 -3.381 1.00 0.00 O ATOM 230 CB MET A 52 6.323 5.770 -0.077 1.00 0.00 C ATOM 231 CG MET A 52 6.338 4.519 0.786 1.00 0.00 C ATOM 232 SD MET A 52 7.933 4.241 1.578 1.00 0.00 S ATOM 233 CE MET A 52 8.734 3.191 0.368 1.00 0.00 C ATOM 0 H MET A 52 8.758 6.066 0.201 1.00 0.00 H new ATOM 0 HA MET A 52 7.283 4.705 -1.676 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.570 6.632 0.543 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.313 5.928 -0.456 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.566 4.601 1.551 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.087 3.655 0.171 1.00 0.00 H new ATOM 0 HE1 MET A 52 9.627 2.747 0.807 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.049 2.401 0.061 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.014 3.786 -0.501 1.00 0.00 H new ATOM 243 N GLU A 53 7.070 7.979 -2.088 1.00 0.00 N ATOM 244 CA GLU A 53 6.696 9.016 -3.042 1.00 0.00 C ATOM 245 C GLU A 53 7.242 8.700 -4.432 1.00 0.00 C ATOM 246 O GLU A 53 6.517 8.760 -5.425 1.00 0.00 O ATOM 247 CB GLU A 53 7.213 10.379 -2.577 1.00 0.00 C ATOM 248 CG GLU A 53 6.643 10.823 -1.241 1.00 0.00 C ATOM 249 CD GLU A 53 7.458 11.928 -0.597 1.00 0.00 C ATOM 250 OE1 GLU A 53 7.904 12.839 -1.326 1.00 0.00 O ATOM 251 OE2 GLU A 53 7.649 11.882 0.636 1.00 0.00 O ATOM 0 H GLU A 53 7.499 8.328 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 53 5.608 9.047 -3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.300 10.340 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.971 11.127 -3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.619 11.168 -1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.600 9.968 -0.566 1.00 0.00 H new ATOM 258 N LYS A 54 8.526 8.362 -4.493 1.00 0.00 N ATOM 259 CA LYS A 54 9.171 8.035 -5.759 1.00 0.00 C ATOM 260 C LYS A 54 8.582 6.761 -6.357 1.00 0.00 C ATOM 261 O LYS A 54 8.283 6.706 -7.549 1.00 0.00 O ATOM 262 CB LYS A 54 10.679 7.866 -5.558 1.00 0.00 C ATOM 263 CG LYS A 54 11.473 7.900 -6.852 1.00 0.00 C ATOM 264 CD LYS A 54 11.431 9.276 -7.496 1.00 0.00 C ATOM 265 CE LYS A 54 12.250 9.316 -8.777 1.00 0.00 C ATOM 266 NZ LYS A 54 11.471 8.832 -9.950 1.00 0.00 N ATOM 0 H LYS A 54 9.140 8.307 -3.680 1.00 0.00 H new ATOM 0 HA LYS A 54 8.992 8.857 -6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.040 8.656 -4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.866 6.919 -5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.508 7.622 -6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.072 7.160 -7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.398 9.545 -7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.813 10.019 -6.795 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.587 10.336 -8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.143 8.703 -8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.065 8.875 -10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.171 7.850 -9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.632 9.433 -10.081 1.00 0.00 H new ATOM 280 N GLU A 55 8.418 5.741 -5.520 1.00 0.00 N ATOM 281 CA GLU A 55 7.864 4.468 -5.968 1.00 0.00 C ATOM 282 C GLU A 55 6.444 4.649 -6.495 1.00 0.00 C ATOM 283 O GLU A 55 6.178 4.447 -7.680 1.00 0.00 O ATOM 284 CB GLU A 55 7.871 3.453 -4.823 1.00 0.00 C ATOM 285 CG GLU A 55 9.261 2.972 -4.444 1.00 0.00 C ATOM 286 CD GLU A 55 9.809 1.945 -5.416 1.00 0.00 C ATOM 287 OE1 GLU A 55 9.125 0.928 -5.653 1.00 0.00 O ATOM 288 OE2 GLU A 55 10.922 2.160 -5.939 1.00 0.00 O ATOM 0 H GLU A 55 8.660 5.771 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 55 8.488 4.093 -6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.400 3.902 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.263 2.594 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.938 3.825 -4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.232 2.540 -3.444 1.00 0.00 H new ATOM 295 N VAL A 56 5.533 5.030 -5.604 1.00 0.00 N ATOM 296 CA VAL A 56 4.139 5.238 -5.978 1.00 0.00 C ATOM 297 C VAL A 56 4.031 5.974 -7.309 1.00 0.00 C ATOM 298 O VAL A 56 3.410 5.484 -8.252 1.00 0.00 O ATOM 299 CB VAL A 56 3.382 6.037 -4.900 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.970 6.358 -5.366 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.357 5.268 -3.588 1.00 0.00 C ATOM 0 H VAL A 56 5.736 5.201 -4.619 1.00 0.00 H new ATOM 0 HA VAL A 56 3.686 4.251 -6.074 1.00 0.00 H new ATOM 0 HB VAL A 56 3.907 6.978 -4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.451 6.923 -4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.014 6.951 -6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.432 5.431 -5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.819 5.847 -2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.856 4.311 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.378 5.094 -3.248 1.00 0.00 H new ATOM 311 N SER A 57 4.640 7.153 -7.378 1.00 0.00 N ATOM 312 CA SER A 57 4.610 7.959 -8.594 1.00 0.00 C ATOM 313 C SER A 57 4.925 7.106 -9.819 1.00 0.00 C ATOM 314 O SER A 57 4.143 7.053 -10.769 1.00 0.00 O ATOM 315 CB SER A 57 5.610 9.112 -8.491 1.00 0.00 C ATOM 316 OG SER A 57 5.276 10.158 -9.387 1.00 0.00 O ATOM 0 H SER A 57 5.160 7.572 -6.607 1.00 0.00 H new ATOM 0 HA SER A 57 3.605 8.367 -8.705 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.625 9.494 -7.470 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.614 8.748 -8.710 1.00 0.00 H new ATOM 0 HG SER A 57 5.929 10.884 -9.301 1.00 0.00 H new ATOM 322 N ASP A 58 6.074 6.441 -9.789 1.00 0.00 N ATOM 323 CA ASP A 58 6.493 5.589 -10.896 1.00 0.00 C ATOM 324 C ASP A 58 5.361 4.662 -11.327 1.00 0.00 C ATOM 325 O ASP A 58 5.119 4.473 -12.520 1.00 0.00 O ATOM 326 CB ASP A 58 7.719 4.766 -10.499 1.00 0.00 C ATOM 327 CG ASP A 58 8.235 3.908 -11.637 1.00 0.00 C ATOM 328 OD1 ASP A 58 9.046 4.413 -12.441 1.00 0.00 O ATOM 329 OD2 ASP A 58 7.827 2.731 -11.724 1.00 0.00 O ATOM 0 H ASP A 58 6.732 6.475 -9.010 1.00 0.00 H new ATOM 0 HA ASP A 58 6.753 6.231 -11.737 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.511 5.437 -10.166 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.466 4.127 -9.653 1.00 0.00 H new ATOM 334 N PHE A 59 4.671 4.084 -10.349 1.00 0.00 N ATOM 335 CA PHE A 59 3.565 3.175 -10.627 1.00 0.00 C ATOM 336 C PHE A 59 2.407 3.913 -11.291 1.00 0.00 C ATOM 337 O PHE A 59 1.801 3.414 -12.240 1.00 0.00 O ATOM 338 CB PHE A 59 3.087 2.510 -9.335 1.00 0.00 C ATOM 339 CG PHE A 59 1.691 1.963 -9.423 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.595 2.806 -9.331 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.474 0.606 -9.599 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.691 2.307 -9.412 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.190 0.101 -9.681 1.00 0.00 C ATOM 344 CZ PHE A 59 -0.894 0.952 -9.587 1.00 0.00 C ATOM 0 H PHE A 59 4.858 4.229 -9.357 1.00 0.00 H new ATOM 0 HA PHE A 59 3.923 2.407 -11.312 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.770 1.700 -9.078 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.134 3.236 -8.523 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.748 3.866 -9.194 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.317 -0.065 -9.673 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.536 2.975 -9.339 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.034 -0.959 -9.819 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.898 0.559 -9.650 1.00 0.00 H new ATOM 354 N ILE A 60 2.106 5.105 -10.786 1.00 0.00 N ATOM 355 CA ILE A 60 1.022 5.913 -11.330 1.00 0.00 C ATOM 356 C ILE A 60 1.217 6.163 -12.822 1.00 0.00 C ATOM 357 O ILE A 60 0.349 5.844 -13.634 1.00 0.00 O ATOM 358 CB ILE A 60 0.909 7.266 -10.604 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.486 7.055 -9.149 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.080 8.172 -11.323 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.646 8.289 -8.289 1.00 0.00 C ATOM 0 H ILE A 60 2.598 5.532 -10.001 1.00 0.00 H new ATOM 0 HA ILE A 60 0.101 5.350 -11.176 1.00 0.00 H new ATOM 0 HB ILE A 60 1.886 7.749 -10.612 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.556 6.737 -9.124 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.076 6.245 -8.721 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.149 9.125 -10.798 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.260 8.344 -12.344 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.061 7.697 -11.343 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.327 8.067 -7.271 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.692 8.595 -8.283 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.034 9.096 -8.693 1.00 0.00 H new ATOM 373 N GLN A 61 2.364 6.735 -13.175 1.00 0.00 N ATOM 374 CA GLN A 61 2.675 7.027 -14.569 1.00 0.00 C ATOM 375 C GLN A 61 2.589 5.765 -15.422 1.00 0.00 C ATOM 376 O GLN A 61 2.005 5.775 -16.505 1.00 0.00 O ATOM 377 CB GLN A 61 4.071 7.641 -14.685 1.00 0.00 C ATOM 378 CG GLN A 61 4.259 8.888 -13.837 1.00 0.00 C ATOM 379 CD GLN A 61 5.689 9.391 -13.847 1.00 0.00 C ATOM 380 OE1 GLN A 61 6.528 8.895 -14.600 1.00 0.00 O ATOM 381 NE2 GLN A 61 5.975 10.381 -13.010 1.00 0.00 N ATOM 0 H GLN A 61 3.093 7.005 -12.515 1.00 0.00 H new ATOM 0 HA GLN A 61 1.940 7.743 -14.936 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.812 6.897 -14.392 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.264 7.889 -15.729 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.599 9.674 -14.203 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.961 8.673 -12.811 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.249 10.762 -12.404 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.921 10.761 -12.973 1.00 0.00 H new ATOM 390 N ASP A 62 3.174 4.681 -14.925 1.00 0.00 N ATOM 391 CA ASP A 62 3.164 3.411 -15.641 1.00 0.00 C ATOM 392 C ASP A 62 1.735 2.917 -15.850 1.00 0.00 C ATOM 393 O ASP A 62 1.046 2.559 -14.895 1.00 0.00 O ATOM 394 CB ASP A 62 3.972 2.362 -14.875 1.00 0.00 C ATOM 395 CG ASP A 62 4.610 1.339 -15.794 1.00 0.00 C ATOM 396 OD1 ASP A 62 3.886 0.759 -16.631 1.00 0.00 O ATOM 397 OD2 ASP A 62 5.833 1.118 -15.676 1.00 0.00 O ATOM 0 H ASP A 62 3.661 4.656 -14.029 1.00 0.00 H new ATOM 0 HA ASP A 62 3.622 3.569 -16.617 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.749 2.859 -14.294 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.320 1.852 -14.165 1.00 0.00 H new ATOM 402 N SER A 63 1.298 2.901 -17.105 1.00 0.00 N ATOM 403 CA SER A 63 -0.050 2.456 -17.439 1.00 0.00 C ATOM 404 C SER A 63 -0.192 0.951 -17.231 1.00 0.00 C ATOM 405 O SER A 63 -1.139 0.488 -16.596 1.00 0.00 O ATOM 406 CB SER A 63 -0.384 2.815 -18.888 1.00 0.00 C ATOM 407 OG SER A 63 -1.589 2.195 -19.303 1.00 0.00 O ATOM 0 H SER A 63 1.857 3.191 -17.907 1.00 0.00 H new ATOM 0 HA SER A 63 -0.749 2.965 -16.775 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.476 3.897 -18.986 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.432 2.504 -19.540 1.00 0.00 H new ATOM 0 HG SER A 63 -1.781 2.442 -20.232 1.00 0.00 H new ATOM 413 N GLY A 64 0.757 0.193 -17.771 1.00 0.00 N ATOM 414 CA GLY A 64 0.720 -1.252 -17.634 1.00 0.00 C ATOM 415 C GLY A 64 0.440 -1.692 -16.211 1.00 0.00 C ATOM 416 O GLY A 64 -0.293 -2.655 -15.986 1.00 0.00 O ATOM 0 H GLY A 64 1.551 0.553 -18.301 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.047 -1.657 -18.294 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.673 -1.669 -17.959 1.00 0.00 H new ATOM 420 N GLN A 65 1.026 -0.987 -15.249 1.00 0.00 N ATOM 421 CA GLN A 65 0.837 -1.313 -13.840 1.00 0.00 C ATOM 422 C GLN A 65 -0.561 -0.922 -13.374 1.00 0.00 C ATOM 423 O GLN A 65 -0.943 0.246 -13.438 1.00 0.00 O ATOM 424 CB GLN A 65 1.890 -0.605 -12.986 1.00 0.00 C ATOM 425 CG GLN A 65 3.223 -1.334 -12.933 1.00 0.00 C ATOM 426 CD GLN A 65 4.163 -0.912 -14.044 1.00 0.00 C ATOM 427 OE1 GLN A 65 5.152 -0.218 -13.806 1.00 0.00 O ATOM 428 NE2 GLN A 65 3.860 -1.330 -15.268 1.00 0.00 N ATOM 0 H GLN A 65 1.635 -0.187 -15.419 1.00 0.00 H new ATOM 0 HA GLN A 65 0.950 -2.391 -13.723 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.050 0.399 -13.380 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.507 -0.492 -11.972 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.697 -1.146 -11.970 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.048 -2.408 -12.998 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.030 -1.904 -15.420 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.457 -1.077 -16.056 1.00 0.00 H new ATOM 437 N ILE A 66 -1.320 -1.908 -12.906 1.00 0.00 N ATOM 438 CA ILE A 66 -2.676 -1.666 -12.428 1.00 0.00 C ATOM 439 C ILE A 66 -2.742 -1.731 -10.906 1.00 0.00 C ATOM 440 O ILE A 66 -3.584 -1.086 -10.281 1.00 0.00 O ATOM 441 CB ILE A 66 -3.670 -2.683 -13.018 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.300 -4.102 -12.584 1.00 0.00 C ATOM 443 CG2 ILE A 66 -3.698 -2.577 -14.535 1.00 0.00 C ATOM 444 CD1 ILE A 66 -4.486 -5.036 -12.494 1.00 0.00 C ATOM 0 H ILE A 66 -1.019 -2.881 -12.848 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.954 -0.665 -12.759 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.667 -2.456 -12.639 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.578 -4.512 -13.290 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.807 -4.059 -11.613 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.405 -3.302 -14.937 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.005 -1.572 -14.824 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.704 -2.781 -14.932 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.148 -6.024 -12.181 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.199 -4.649 -11.766 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.966 -5.109 -13.470 1.00 0.00 H new ATOM 456 N LYS A 67 -1.846 -2.514 -10.313 1.00 0.00 N ATOM 457 CA LYS A 67 -1.800 -2.662 -8.863 1.00 0.00 C ATOM 458 C LYS A 67 -0.382 -2.972 -8.394 1.00 0.00 C ATOM 459 O LYS A 67 0.459 -3.418 -9.175 1.00 0.00 O ATOM 460 CB LYS A 67 -2.752 -3.772 -8.413 1.00 0.00 C ATOM 461 CG LYS A 67 -2.362 -5.150 -8.919 1.00 0.00 C ATOM 462 CD LYS A 67 -3.058 -6.250 -8.135 1.00 0.00 C ATOM 463 CE LYS A 67 -4.401 -6.610 -8.750 1.00 0.00 C ATOM 464 NZ LYS A 67 -5.270 -7.349 -7.793 1.00 0.00 N ATOM 0 H LYS A 67 -1.142 -3.056 -10.815 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.114 -1.719 -8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.786 -3.790 -7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.759 -3.538 -8.760 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.618 -5.237 -9.975 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.282 -5.275 -8.842 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.422 -7.135 -8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.204 -5.927 -7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.908 -5.701 -9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.241 -7.219 -9.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.155 -7.620 -8.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.777 -8.204 -7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.486 -6.740 -6.978 1.00 0.00 H new ATOM 478 N LYS A 68 -0.123 -2.734 -7.113 1.00 0.00 N ATOM 479 CA LYS A 68 1.192 -2.990 -6.537 1.00 0.00 C ATOM 480 C LYS A 68 1.071 -3.460 -5.091 1.00 0.00 C ATOM 481 O LYS A 68 0.396 -2.831 -4.277 1.00 0.00 O ATOM 482 CB LYS A 68 2.055 -1.728 -6.604 1.00 0.00 C ATOM 483 CG LYS A 68 3.482 -1.941 -6.128 1.00 0.00 C ATOM 484 CD LYS A 68 4.373 -0.766 -6.493 1.00 0.00 C ATOM 485 CE LYS A 68 5.771 -0.926 -5.917 1.00 0.00 C ATOM 486 NZ LYS A 68 6.645 -1.746 -6.802 1.00 0.00 N ATOM 0 H LYS A 68 -0.807 -2.364 -6.453 1.00 0.00 H new ATOM 0 HA LYS A 68 1.668 -3.780 -7.118 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.074 -1.365 -7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.592 -0.949 -5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.489 -2.082 -5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.882 -2.853 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.433 -0.677 -7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.929 0.158 -6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.219 0.057 -5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.708 -1.394 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.589 -1.832 -6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.230 -2.693 -6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.726 -1.287 -7.732 1.00 0.00 H new ATOM 500 N LYS A 69 1.731 -4.570 -4.777 1.00 0.00 N ATOM 501 CA LYS A 69 1.700 -5.124 -3.429 1.00 0.00 C ATOM 502 C LYS A 69 3.072 -5.025 -2.769 1.00 0.00 C ATOM 503 O LYS A 69 4.002 -5.744 -3.135 1.00 0.00 O ATOM 504 CB LYS A 69 1.244 -6.584 -3.465 1.00 0.00 C ATOM 505 CG LYS A 69 1.351 -7.288 -2.124 1.00 0.00 C ATOM 506 CD LYS A 69 1.613 -8.775 -2.294 1.00 0.00 C ATOM 507 CE LYS A 69 2.212 -9.383 -1.035 1.00 0.00 C ATOM 508 NZ LYS A 69 3.580 -8.860 -0.764 1.00 0.00 N ATOM 0 H LYS A 69 2.294 -5.104 -5.439 1.00 0.00 H new ATOM 0 HA LYS A 69 0.990 -4.543 -2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.209 -6.624 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.842 -7.125 -4.198 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.155 -6.840 -1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.429 -7.142 -1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.680 -9.284 -2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.290 -8.933 -3.133 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.565 -9.167 -0.184 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.251 -10.467 -1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.094 -9.530 -0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.092 -8.744 -1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.511 -7.940 -0.284 1.00 0.00 H new ATOM 522 N PHE A 70 3.190 -4.131 -1.792 1.00 0.00 N ATOM 523 CA PHE A 70 4.448 -3.939 -1.080 1.00 0.00 C ATOM 524 C PHE A 70 4.614 -4.981 0.022 1.00 0.00 C ATOM 525 O PHE A 70 3.676 -5.708 0.349 1.00 0.00 O ATOM 526 CB PHE A 70 4.510 -2.533 -0.481 1.00 0.00 C ATOM 527 CG PHE A 70 4.593 -1.444 -1.513 1.00 0.00 C ATOM 528 CD1 PHE A 70 3.446 -0.958 -2.120 1.00 0.00 C ATOM 529 CD2 PHE A 70 5.818 -0.907 -1.875 1.00 0.00 C ATOM 530 CE1 PHE A 70 3.520 0.043 -3.070 1.00 0.00 C ATOM 531 CE2 PHE A 70 5.898 0.094 -2.824 1.00 0.00 C ATOM 532 CZ PHE A 70 4.747 0.570 -3.422 1.00 0.00 C ATOM 0 H PHE A 70 2.430 -3.529 -1.476 1.00 0.00 H new ATOM 0 HA PHE A 70 5.263 -4.058 -1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.627 -2.371 0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.376 -2.465 0.177 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.484 -1.366 -1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.721 -1.275 -1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.619 0.413 -3.537 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.859 0.504 -3.098 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.807 1.353 -4.164 1.00 0.00 H new ATOM 542 N GLN A 71 5.814 -5.048 0.589 1.00 0.00 N ATOM 543 CA GLN A 71 6.104 -6.002 1.653 1.00 0.00 C ATOM 544 C GLN A 71 6.122 -5.312 3.013 1.00 0.00 C ATOM 545 O GLN A 71 6.625 -4.198 3.165 1.00 0.00 O ATOM 546 CB GLN A 71 7.447 -6.689 1.399 1.00 0.00 C ATOM 547 CG GLN A 71 7.365 -7.838 0.407 1.00 0.00 C ATOM 548 CD GLN A 71 7.317 -7.363 -1.032 1.00 0.00 C ATOM 549 OE1 GLN A 71 6.272 -7.419 -1.682 1.00 0.00 O ATOM 550 NE2 GLN A 71 8.450 -6.893 -1.539 1.00 0.00 N ATOM 0 H GLN A 71 6.601 -4.453 0.330 1.00 0.00 H new ATOM 0 HA GLN A 71 5.314 -6.753 1.658 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.159 -5.951 1.029 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.839 -7.064 2.345 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.227 -8.492 0.542 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.477 -8.434 0.619 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.293 -6.865 -0.965 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.478 -6.560 -2.503 1.00 0.00 H new ATOM 559 N PRO A 72 5.560 -5.987 4.027 1.00 0.00 N ATOM 560 CA PRO A 72 5.499 -5.457 5.392 1.00 0.00 C ATOM 561 C PRO A 72 6.870 -5.408 6.057 1.00 0.00 C ATOM 562 O PRO A 72 7.365 -6.417 6.557 1.00 0.00 O ATOM 563 CB PRO A 72 4.589 -6.452 6.118 1.00 0.00 C ATOM 564 CG PRO A 72 4.728 -7.722 5.351 1.00 0.00 C ATOM 565 CD PRO A 72 4.941 -7.319 3.918 1.00 0.00 C ATOM 0 HA PRO A 72 5.135 -4.430 5.414 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.893 -6.582 7.157 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.555 -6.107 6.129 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.568 -8.311 5.720 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.836 -8.340 5.454 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.589 -8.022 3.395 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.001 -7.282 3.367 1.00 0.00 H new ATOM 573 N MET A 73 7.479 -4.226 6.059 1.00 0.00 N ATOM 574 CA MET A 73 8.793 -4.045 6.664 1.00 0.00 C ATOM 575 C MET A 73 8.667 -3.536 8.097 1.00 0.00 C ATOM 576 O MET A 73 9.346 -4.023 9.000 1.00 0.00 O ATOM 577 CB MET A 73 9.630 -3.068 5.836 1.00 0.00 C ATOM 578 CG MET A 73 10.153 -3.664 4.539 1.00 0.00 C ATOM 579 SD MET A 73 10.340 -2.434 3.234 1.00 0.00 S ATOM 580 CE MET A 73 8.629 -2.151 2.788 1.00 0.00 C ATOM 0 H MET A 73 7.083 -3.380 5.649 1.00 0.00 H new ATOM 0 HA MET A 73 9.292 -5.014 6.684 1.00 0.00 H new ATOM 0 HB2 MET A 73 9.027 -2.190 5.606 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.474 -2.726 6.436 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.116 -4.140 4.725 1.00 0.00 H new ATOM 0 HG3 MET A 73 9.471 -4.445 4.202 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.517 -1.138 2.400 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.329 -2.868 2.023 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.998 -2.275 3.668 1.00 0.00 H new ATOM 590 N ASN A 74 7.793 -2.555 8.297 1.00 0.00 N ATOM 591 CA ASN A 74 7.579 -1.980 9.620 1.00 0.00 C ATOM 592 C ASN A 74 6.092 -1.928 9.956 1.00 0.00 C ATOM 593 O ASN A 74 5.246 -2.291 9.139 1.00 0.00 O ATOM 594 CB ASN A 74 8.179 -0.574 9.691 1.00 0.00 C ATOM 595 CG ASN A 74 9.667 -0.565 9.401 1.00 0.00 C ATOM 596 OD1 ASN A 74 10.206 -1.516 8.834 1.00 0.00 O ATOM 597 ND2 ASN A 74 10.339 0.512 9.791 1.00 0.00 N ATOM 0 H ASN A 74 7.222 -2.142 7.560 1.00 0.00 H new ATOM 0 HA ASN A 74 8.077 -2.617 10.351 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.669 0.072 8.977 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.002 -0.156 10.682 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.343 0.575 9.624 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.851 1.276 10.258 1.00 0.00 H new ATOM 604 N LYS A 75 5.780 -1.474 11.165 1.00 0.00 N ATOM 605 CA LYS A 75 4.395 -1.372 11.611 1.00 0.00 C ATOM 606 C LYS A 75 3.812 -0.005 11.266 1.00 0.00 C ATOM 607 O LYS A 75 2.632 0.110 10.933 1.00 0.00 O ATOM 608 CB LYS A 75 4.305 -1.611 13.120 1.00 0.00 C ATOM 609 CG LYS A 75 2.904 -1.953 13.598 1.00 0.00 C ATOM 610 CD LYS A 75 2.900 -2.367 15.060 1.00 0.00 C ATOM 611 CE LYS A 75 1.484 -2.518 15.593 1.00 0.00 C ATOM 612 NZ LYS A 75 1.417 -2.292 17.063 1.00 0.00 N ATOM 0 H LYS A 75 6.468 -1.171 11.854 1.00 0.00 H new ATOM 0 HA LYS A 75 3.815 -2.136 11.093 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.981 -2.422 13.392 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.651 -0.719 13.642 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.251 -1.091 13.461 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.498 -2.760 12.989 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.435 -3.310 15.174 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.435 -1.624 15.651 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.828 -1.810 15.087 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.114 -3.517 15.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.435 -2.404 17.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.023 -2.984 17.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.746 -1.330 17.282 1.00 0.00 H new ATOM 626 N ILE A 76 4.646 1.026 11.347 1.00 0.00 N ATOM 627 CA ILE A 76 4.212 2.384 11.041 1.00 0.00 C ATOM 628 C ILE A 76 4.301 2.665 9.545 1.00 0.00 C ATOM 629 O ILE A 76 3.446 3.347 8.981 1.00 0.00 O ATOM 630 CB ILE A 76 5.054 3.428 11.799 1.00 0.00 C ATOM 631 CG1 ILE A 76 5.031 3.140 13.302 1.00 0.00 C ATOM 632 CG2 ILE A 76 4.539 4.831 11.515 1.00 0.00 C ATOM 633 CD1 ILE A 76 3.646 3.205 13.908 1.00 0.00 C ATOM 0 H ILE A 76 5.625 0.947 11.622 1.00 0.00 H new ATOM 0 HA ILE A 76 3.174 2.464 11.362 1.00 0.00 H new ATOM 0 HB ILE A 76 6.085 3.363 11.452 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.451 2.150 13.481 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.676 3.856 13.811 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.144 5.557 12.058 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.602 5.032 10.446 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.501 4.910 11.838 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.705 2.991 14.975 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.231 4.202 13.761 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.003 2.469 13.425 1.00 0.00 H new ATOM 645 N GLU A 77 5.340 2.134 8.909 1.00 0.00 N ATOM 646 CA GLU A 77 5.540 2.327 7.478 1.00 0.00 C ATOM 647 C GLU A 77 4.215 2.230 6.726 1.00 0.00 C ATOM 648 O GLU A 77 4.010 2.905 5.717 1.00 0.00 O ATOM 649 CB GLU A 77 6.526 1.292 6.933 1.00 0.00 C ATOM 650 CG GLU A 77 7.981 1.710 7.062 1.00 0.00 C ATOM 651 CD GLU A 77 8.233 2.575 8.282 1.00 0.00 C ATOM 652 OE1 GLU A 77 7.742 2.217 9.373 1.00 0.00 O ATOM 653 OE2 GLU A 77 8.920 3.608 8.146 1.00 0.00 O ATOM 0 H GLU A 77 6.056 1.567 9.362 1.00 0.00 H new ATOM 0 HA GLU A 77 5.952 3.325 7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.379 0.350 7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.302 1.107 5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.608 0.820 7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.279 2.255 6.167 1.00 0.00 H new ATOM 660 N ARG A 78 3.320 1.383 7.224 1.00 0.00 N ATOM 661 CA ARG A 78 2.016 1.195 6.600 1.00 0.00 C ATOM 662 C ARG A 78 1.231 2.503 6.574 1.00 0.00 C ATOM 663 O ARG A 78 0.936 3.041 5.507 1.00 0.00 O ATOM 664 CB ARG A 78 1.219 0.124 7.347 1.00 0.00 C ATOM 665 CG ARG A 78 1.668 -1.295 7.040 1.00 0.00 C ATOM 666 CD ARG A 78 1.288 -1.707 5.626 1.00 0.00 C ATOM 667 NE ARG A 78 2.197 -1.147 4.630 1.00 0.00 N ATOM 668 CZ ARG A 78 3.482 -1.472 4.543 1.00 0.00 C ATOM 669 NH1 ARG A 78 4.006 -2.348 5.389 1.00 0.00 N ATOM 670 NH2 ARG A 78 4.245 -0.920 3.609 1.00 0.00 N ATOM 0 H ARG A 78 3.474 0.816 8.058 1.00 0.00 H new ATOM 0 HA ARG A 78 2.177 0.868 5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.307 0.300 8.419 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.164 0.225 7.093 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.748 -1.371 7.164 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.216 -1.983 7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.294 -2.794 5.551 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.271 -1.378 5.414 1.00 0.00 H new ATOM 0 HE ARG A 78 1.825 -0.469 3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.422 -2.774 6.109 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.993 -2.596 5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.845 -0.245 2.957 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.232 -1.170 3.543 1.00 0.00 H new ATOM 684 N SER A 79 0.896 3.010 7.756 1.00 0.00 N ATOM 685 CA SER A 79 0.142 4.252 7.870 1.00 0.00 C ATOM 686 C SER A 79 0.734 5.331 6.967 1.00 0.00 C ATOM 687 O SER A 79 0.008 6.026 6.255 1.00 0.00 O ATOM 688 CB SER A 79 0.131 4.736 9.321 1.00 0.00 C ATOM 689 OG SER A 79 -0.564 5.965 9.443 1.00 0.00 O ATOM 0 H SER A 79 1.135 2.579 8.649 1.00 0.00 H new ATOM 0 HA SER A 79 -0.882 4.057 7.552 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.339 3.984 9.955 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.155 4.857 9.675 1.00 0.00 H new ATOM 0 HG SER A 79 -0.558 6.252 10.380 1.00 0.00 H new ATOM 695 N ILE A 80 2.055 5.464 7.003 1.00 0.00 N ATOM 696 CA ILE A 80 2.745 6.456 6.188 1.00 0.00 C ATOM 697 C ILE A 80 2.489 6.222 4.703 1.00 0.00 C ATOM 698 O ILE A 80 2.007 7.109 3.997 1.00 0.00 O ATOM 699 CB ILE A 80 4.263 6.439 6.444 1.00 0.00 C ATOM 700 CG1 ILE A 80 4.550 6.554 7.943 1.00 0.00 C ATOM 701 CG2 ILE A 80 4.942 7.567 5.681 1.00 0.00 C ATOM 702 CD1 ILE A 80 5.823 5.856 8.370 1.00 0.00 C ATOM 0 H ILE A 80 2.669 4.897 7.588 1.00 0.00 H new ATOM 0 HA ILE A 80 2.348 7.430 6.474 1.00 0.00 H new ATOM 0 HB ILE A 80 4.666 5.491 6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.615 7.608 8.212 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.711 6.134 8.499 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.015 7.542 5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.761 7.445 4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.537 8.524 6.010 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.963 5.979 9.444 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.753 4.795 8.132 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.671 6.291 7.842 1.00 0.00 H new ATOM 714 N LEU A 81 2.814 5.022 4.234 1.00 0.00 N ATOM 715 CA LEU A 81 2.617 4.669 2.833 1.00 0.00 C ATOM 716 C LEU A 81 1.186 4.961 2.393 1.00 0.00 C ATOM 717 O LEU A 81 0.955 5.479 1.300 1.00 0.00 O ATOM 718 CB LEU A 81 2.940 3.191 2.608 1.00 0.00 C ATOM 719 CG LEU A 81 2.477 2.597 1.278 1.00 0.00 C ATOM 720 CD1 LEU A 81 3.123 3.330 0.112 1.00 0.00 C ATOM 721 CD2 LEU A 81 2.796 1.110 1.218 1.00 0.00 C ATOM 0 H LEU A 81 3.215 4.277 4.804 1.00 0.00 H new ATOM 0 HA LEU A 81 3.293 5.278 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.019 3.060 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.490 2.614 3.416 1.00 0.00 H new ATOM 0 HG LEU A 81 1.396 2.720 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.782 2.893 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.844 4.383 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.207 3.240 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.459 0.704 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.872 0.964 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.286 0.595 2.032 1.00 0.00 H new ATOM 733 N HIS A 82 0.229 4.627 3.252 1.00 0.00 N ATOM 734 CA HIS A 82 -1.181 4.856 2.953 1.00 0.00 C ATOM 735 C HIS A 82 -1.431 6.320 2.605 1.00 0.00 C ATOM 736 O HIS A 82 -2.002 6.630 1.559 1.00 0.00 O ATOM 737 CB HIS A 82 -2.049 4.447 4.144 1.00 0.00 C ATOM 738 CG HIS A 82 -2.492 3.017 4.098 1.00 0.00 C ATOM 739 ND1 HIS A 82 -3.810 2.642 3.940 1.00 0.00 N ATOM 740 CD2 HIS A 82 -1.784 1.867 4.190 1.00 0.00 C ATOM 741 CE1 HIS A 82 -3.893 1.324 3.938 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.678 0.829 4.088 1.00 0.00 N ATOM 0 H HIS A 82 0.403 4.197 4.160 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.449 4.245 2.091 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.491 4.617 5.065 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.928 5.090 4.181 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.715 1.781 4.319 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.801 0.749 3.832 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.442 -0.163 4.123 1.00 0.00 H new ATOM 750 N ASP A 83 -1.002 7.215 3.487 1.00 0.00 N ATOM 751 CA ASP A 83 -1.179 8.646 3.273 1.00 0.00 C ATOM 752 C ASP A 83 -0.614 9.067 1.920 1.00 0.00 C ATOM 753 O ASP A 83 -1.250 9.812 1.174 1.00 0.00 O ATOM 754 CB ASP A 83 -0.502 9.439 4.392 1.00 0.00 C ATOM 755 CG ASP A 83 -1.100 10.822 4.565 1.00 0.00 C ATOM 756 OD1 ASP A 83 -1.096 11.596 3.586 1.00 0.00 O ATOM 757 OD2 ASP A 83 -1.570 11.129 5.681 1.00 0.00 O ATOM 0 H ASP A 83 -0.529 6.975 4.358 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.248 8.860 3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.590 8.888 5.328 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.562 9.531 4.176 1.00 0.00 H new ATOM 762 N VAL A 84 0.586 8.587 1.610 1.00 0.00 N ATOM 763 CA VAL A 84 1.238 8.913 0.348 1.00 0.00 C ATOM 764 C VAL A 84 0.361 8.529 -0.839 1.00 0.00 C ATOM 765 O VAL A 84 0.300 9.247 -1.838 1.00 0.00 O ATOM 766 CB VAL A 84 2.598 8.202 0.218 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.224 8.489 -1.139 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.529 8.624 1.344 1.00 0.00 C ATOM 0 H VAL A 84 1.127 7.970 2.217 1.00 0.00 H new ATOM 0 HA VAL A 84 1.398 9.991 0.344 1.00 0.00 H new ATOM 0 HB VAL A 84 2.435 7.127 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.184 7.978 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.562 8.132 -1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.375 9.563 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.485 8.112 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.687 9.702 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.083 8.361 2.303 1.00 0.00 H new ATOM 778 N VAL A 85 -0.319 7.393 -0.722 1.00 0.00 N ATOM 779 CA VAL A 85 -1.195 6.914 -1.784 1.00 0.00 C ATOM 780 C VAL A 85 -2.422 7.808 -1.930 1.00 0.00 C ATOM 781 O VAL A 85 -2.601 8.470 -2.952 1.00 0.00 O ATOM 782 CB VAL A 85 -1.656 5.468 -1.522 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.646 5.021 -2.588 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.460 4.530 -1.467 1.00 0.00 C ATOM 0 H VAL A 85 -0.280 6.787 0.098 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.617 6.942 -2.708 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.160 5.435 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.960 3.997 -2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.516 5.677 -2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.171 5.068 -3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.804 3.512 -1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.074 4.565 -2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.208 4.840 -0.664 1.00 0.00 H new ATOM 794 N GLU A 86 -3.263 7.822 -0.901 1.00 0.00 N ATOM 795 CA GLU A 86 -4.473 8.635 -0.915 1.00 0.00 C ATOM 796 C GLU A 86 -4.199 10.008 -1.523 1.00 0.00 C ATOM 797 O GLU A 86 -5.050 10.579 -2.204 1.00 0.00 O ATOM 798 CB GLU A 86 -5.025 8.794 0.503 1.00 0.00 C ATOM 799 CG GLU A 86 -4.270 9.814 1.339 1.00 0.00 C ATOM 800 CD GLU A 86 -5.056 10.268 2.554 1.00 0.00 C ATOM 801 OE1 GLU A 86 -5.510 9.399 3.327 1.00 0.00 O ATOM 802 OE2 GLU A 86 -5.217 11.494 2.731 1.00 0.00 O ATOM 0 H GLU A 86 -3.129 7.280 -0.048 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.215 8.125 -1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.073 9.088 0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.993 7.828 1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.323 9.383 1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.031 10.680 0.721 1.00 0.00 H new ATOM 809 N VAL A 87 -3.004 10.533 -1.269 1.00 0.00 N ATOM 810 CA VAL A 87 -2.616 11.838 -1.791 1.00 0.00 C ATOM 811 C VAL A 87 -2.326 11.768 -3.286 1.00 0.00 C ATOM 812 O VAL A 87 -2.701 12.662 -4.043 1.00 0.00 O ATOM 813 CB VAL A 87 -1.375 12.387 -1.063 1.00 0.00 C ATOM 814 CG1 VAL A 87 -0.943 13.713 -1.669 1.00 0.00 C ATOM 815 CG2 VAL A 87 -1.653 12.536 0.425 1.00 0.00 C ATOM 0 H VAL A 87 -2.288 10.075 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.456 12.511 -1.618 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.558 11.676 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.065 14.085 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.700 13.570 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.754 14.436 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.765 12.925 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.484 13.226 0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.909 11.564 0.846 1.00 0.00 H new ATOM 825 N ALA A 88 -1.655 10.700 -3.704 1.00 0.00 N ATOM 826 CA ALA A 88 -1.316 10.512 -5.109 1.00 0.00 C ATOM 827 C ALA A 88 -2.572 10.352 -5.960 1.00 0.00 C ATOM 828 O ALA A 88 -2.615 10.792 -7.108 1.00 0.00 O ATOM 829 CB ALA A 88 -0.407 9.304 -5.275 1.00 0.00 C ATOM 0 H ALA A 88 -1.335 9.951 -3.089 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.787 11.401 -5.452 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.162 9.175 -6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.510 9.457 -4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.916 8.412 -4.910 1.00 0.00 H new ATOM 835 N GLY A 89 -3.592 9.719 -5.388 1.00 0.00 N ATOM 836 CA GLY A 89 -4.834 9.513 -6.110 1.00 0.00 C ATOM 837 C GLY A 89 -5.082 8.052 -6.431 1.00 0.00 C ATOM 838 O GLY A 89 -5.627 7.724 -7.485 1.00 0.00 O ATOM 0 H GLY A 89 -3.580 9.346 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.664 9.897 -5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.812 10.087 -7.036 1.00 0.00 H new ATOM 842 N LEU A 90 -4.680 7.172 -5.521 1.00 0.00 N ATOM 843 CA LEU A 90 -4.860 5.737 -5.713 1.00 0.00 C ATOM 844 C LEU A 90 -5.576 5.113 -4.519 1.00 0.00 C ATOM 845 O LEU A 90 -5.760 5.757 -3.485 1.00 0.00 O ATOM 846 CB LEU A 90 -3.505 5.056 -5.921 1.00 0.00 C ATOM 847 CG LEU A 90 -2.659 5.587 -7.078 1.00 0.00 C ATOM 848 CD1 LEU A 90 -1.264 4.982 -7.040 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.333 5.294 -8.410 1.00 0.00 C ATOM 0 H LEU A 90 -4.227 7.427 -4.643 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.475 5.589 -6.601 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.928 5.151 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.676 3.992 -6.081 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.568 6.668 -6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.676 5.371 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.780 5.243 -6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.335 3.897 -7.123 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.717 5.679 -9.222 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.456 4.217 -8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.311 5.775 -8.437 1.00 0.00 H new ATOM 861 N THR A 91 -5.978 3.855 -4.668 1.00 0.00 N ATOM 862 CA THR A 91 -6.674 3.144 -3.603 1.00 0.00 C ATOM 863 C THR A 91 -5.704 2.307 -2.776 1.00 0.00 C ATOM 864 O THR A 91 -5.030 1.421 -3.300 1.00 0.00 O ATOM 865 CB THR A 91 -7.775 2.225 -4.166 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.633 2.968 -5.039 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.595 1.611 -3.042 1.00 0.00 C ATOM 0 H THR A 91 -5.833 3.307 -5.516 1.00 0.00 H new ATOM 0 HA THR A 91 -7.133 3.900 -2.966 1.00 0.00 H new ATOM 0 HB THR A 91 -7.296 1.421 -4.725 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.329 2.377 -5.394 1.00 0.00 H new ATOM 0 HG21 THR A 91 -9.366 0.966 -3.464 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.944 1.022 -2.396 1.00 0.00 H new ATOM 0 HG23 THR A 91 -9.064 2.404 -2.459 1.00 0.00 H new ATOM 875 N SER A 92 -5.639 2.595 -1.480 1.00 0.00 N ATOM 876 CA SER A 92 -4.749 1.870 -0.580 1.00 0.00 C ATOM 877 C SER A 92 -5.542 0.963 0.355 1.00 0.00 C ATOM 878 O SER A 92 -6.658 1.292 0.759 1.00 0.00 O ATOM 879 CB SER A 92 -3.905 2.852 0.237 1.00 0.00 C ATOM 880 OG SER A 92 -4.726 3.689 1.033 1.00 0.00 O ATOM 0 H SER A 92 -6.192 3.325 -1.030 1.00 0.00 H new ATOM 0 HA SER A 92 -4.088 1.249 -1.185 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.215 2.300 0.875 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.300 3.462 -0.434 1.00 0.00 H new ATOM 0 HG SER A 92 -4.558 3.506 1.981 1.00 0.00 H new ATOM 886 N PHE A 93 -4.958 -0.181 0.696 1.00 0.00 N ATOM 887 CA PHE A 93 -5.610 -1.137 1.583 1.00 0.00 C ATOM 888 C PHE A 93 -4.578 -1.984 2.322 1.00 0.00 C ATOM 889 O PHE A 93 -3.393 -1.970 1.988 1.00 0.00 O ATOM 890 CB PHE A 93 -6.553 -2.042 0.788 1.00 0.00 C ATOM 891 CG PHE A 93 -7.936 -1.477 0.632 1.00 0.00 C ATOM 892 CD1 PHE A 93 -8.803 -1.424 1.711 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.368 -0.998 -0.594 1.00 0.00 C ATOM 894 CE1 PHE A 93 -10.076 -0.905 1.570 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.640 -0.477 -0.741 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.495 -0.430 0.342 1.00 0.00 C ATOM 0 H PHE A 93 -4.035 -0.468 0.372 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.189 -0.577 2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.128 -2.218 -0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.619 -3.010 1.284 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.480 -1.793 2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.703 -1.032 -1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.743 -0.871 2.419 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -9.965 -0.107 -1.702 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.489 -0.023 0.230 1.00 0.00 H new ATOM 906 N SER A 94 -5.037 -2.721 3.329 1.00 0.00 N ATOM 907 CA SER A 94 -4.154 -3.571 4.119 1.00 0.00 C ATOM 908 C SER A 94 -4.659 -5.011 4.137 1.00 0.00 C ATOM 909 O SER A 94 -5.680 -5.314 4.754 1.00 0.00 O ATOM 910 CB SER A 94 -4.044 -3.039 5.549 1.00 0.00 C ATOM 911 OG SER A 94 -5.278 -3.162 6.235 1.00 0.00 O ATOM 0 H SER A 94 -6.015 -2.746 3.617 1.00 0.00 H new ATOM 0 HA SER A 94 -3.167 -3.556 3.657 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.270 -3.587 6.086 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.738 -1.993 5.529 1.00 0.00 H new ATOM 0 HG SER A 94 -5.794 -3.900 5.850 1.00 0.00 H new ATOM 917 N PHE A 95 -3.935 -5.893 3.456 1.00 0.00 N ATOM 918 CA PHE A 95 -4.309 -7.301 3.393 1.00 0.00 C ATOM 919 C PHE A 95 -3.177 -8.188 3.902 1.00 0.00 C ATOM 920 O PHE A 95 -2.053 -8.126 3.406 1.00 0.00 O ATOM 921 CB PHE A 95 -4.671 -7.690 1.958 1.00 0.00 C ATOM 922 CG PHE A 95 -5.840 -6.926 1.405 1.00 0.00 C ATOM 923 CD1 PHE A 95 -7.136 -7.369 1.616 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.643 -5.764 0.676 1.00 0.00 C ATOM 925 CE1 PHE A 95 -8.213 -6.668 1.109 1.00 0.00 C ATOM 926 CE2 PHE A 95 -6.717 -5.059 0.167 1.00 0.00 C ATOM 927 CZ PHE A 95 -8.004 -5.511 0.384 1.00 0.00 C ATOM 0 H PHE A 95 -3.087 -5.658 2.940 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.179 -7.449 4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.805 -7.527 1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.896 -8.756 1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.306 -8.272 2.183 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.639 -5.405 0.504 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.218 -7.024 1.279 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.550 -4.155 -0.400 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.845 -4.961 -0.012 1.00 0.00 H new ATOM 937 N GLY A 96 -3.483 -9.015 4.898 1.00 0.00 N ATOM 938 CA GLY A 96 -2.482 -9.902 5.460 1.00 0.00 C ATOM 939 C GLY A 96 -3.025 -11.292 5.730 1.00 0.00 C ATOM 940 O GLY A 96 -4.175 -11.446 6.138 1.00 0.00 O ATOM 0 H GLY A 96 -4.407 -9.086 5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.637 -9.972 4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.104 -9.476 6.389 1.00 0.00 H new ATOM 944 N GLU A 97 -2.195 -12.305 5.500 1.00 0.00 N ATOM 945 CA GLU A 97 -2.601 -13.688 5.719 1.00 0.00 C ATOM 946 C GLU A 97 -2.675 -14.004 7.210 1.00 0.00 C ATOM 947 O GLU A 97 -3.601 -14.673 7.668 1.00 0.00 O ATOM 948 CB GLU A 97 -1.623 -14.644 5.032 1.00 0.00 C ATOM 949 CG GLU A 97 -1.961 -16.111 5.237 1.00 0.00 C ATOM 950 CD GLU A 97 -1.282 -17.014 4.226 1.00 0.00 C ATOM 951 OE1 GLU A 97 -0.036 -17.103 4.251 1.00 0.00 O ATOM 952 OE2 GLU A 97 -1.996 -17.631 3.408 1.00 0.00 O ATOM 0 H GLU A 97 -1.239 -12.194 5.163 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.593 -13.821 5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.608 -14.429 3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.618 -14.455 5.409 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.665 -16.411 6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.041 -16.244 5.169 1.00 0.00 H new ATOM 959 N ASP A 98 -1.693 -13.518 7.961 1.00 0.00 N ATOM 960 CA ASP A 98 -1.646 -13.747 9.400 1.00 0.00 C ATOM 961 C ASP A 98 -1.769 -12.432 10.164 1.00 0.00 C ATOM 962 O ASP A 98 -1.632 -11.353 9.588 1.00 0.00 O ATOM 963 CB ASP A 98 -0.345 -14.454 9.784 1.00 0.00 C ATOM 964 CG ASP A 98 -0.132 -15.736 9.005 1.00 0.00 C ATOM 965 OD1 ASP A 98 -0.860 -16.717 9.265 1.00 0.00 O ATOM 966 OD2 ASP A 98 0.762 -15.759 8.133 1.00 0.00 O ATOM 0 H ASP A 98 -0.919 -12.963 7.597 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.489 -14.383 9.669 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.495 -13.782 9.609 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.358 -14.678 10.851 1.00 0.00 H new ATOM 971 N ASP A 99 -2.030 -12.530 11.463 1.00 0.00 N ATOM 972 CA ASP A 99 -2.172 -11.349 12.306 1.00 0.00 C ATOM 973 C ASP A 99 -0.843 -10.610 12.434 1.00 0.00 C ATOM 974 O ASP A 99 -0.796 -9.382 12.364 1.00 0.00 O ATOM 975 CB ASP A 99 -2.685 -11.744 13.692 1.00 0.00 C ATOM 976 CG ASP A 99 -3.381 -10.597 14.399 1.00 0.00 C ATOM 977 OD1 ASP A 99 -4.571 -10.356 14.108 1.00 0.00 O ATOM 978 OD2 ASP A 99 -2.736 -9.941 15.243 1.00 0.00 O ATOM 0 H ASP A 99 -2.148 -13.416 11.955 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.895 -10.682 11.836 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -3.376 -12.581 13.596 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.849 -12.089 14.301 1.00 0.00 H new ATOM 983 N ASP A 100 0.233 -11.366 12.623 1.00 0.00 N ATOM 984 CA ASP A 100 1.562 -10.783 12.760 1.00 0.00 C ATOM 985 C ASP A 100 2.042 -10.203 11.433 1.00 0.00 C ATOM 986 O ASP A 100 2.620 -9.117 11.392 1.00 0.00 O ATOM 987 CB ASP A 100 2.554 -11.834 13.260 1.00 0.00 C ATOM 988 CG ASP A 100 3.992 -11.465 12.955 1.00 0.00 C ATOM 989 OD1 ASP A 100 4.347 -10.279 13.117 1.00 0.00 O ATOM 990 OD2 ASP A 100 4.763 -12.362 12.552 1.00 0.00 O ATOM 0 H ASP A 100 0.211 -12.384 12.685 1.00 0.00 H new ATOM 0 HA ASP A 100 1.503 -9.974 13.488 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.435 -11.959 14.336 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.323 -12.795 12.800 1.00 0.00 H new ATOM 995 N CYS A 101 1.798 -10.935 10.352 1.00 0.00 N ATOM 996 CA CYS A 101 2.207 -10.495 9.023 1.00 0.00 C ATOM 997 C CYS A 101 1.055 -9.805 8.300 1.00 0.00 C ATOM 998 O CYS A 101 0.032 -10.425 8.007 1.00 0.00 O ATOM 999 CB CYS A 101 2.702 -11.684 8.198 1.00 0.00 C ATOM 1000 SG CYS A 101 3.641 -11.221 6.725 1.00 0.00 S ATOM 0 H CYS A 101 1.319 -11.835 10.370 1.00 0.00 H new ATOM 0 HA CYS A 101 3.021 -9.779 9.140 1.00 0.00 H new ATOM 0 HB2 CYS A 101 3.326 -12.316 8.830 1.00 0.00 H new ATOM 0 HB3 CYS A 101 1.844 -12.284 7.895 1.00 0.00 H new ATOM 0 HG CYS A 101 4.018 -12.294 6.096 1.00 0.00 H new ATOM 1006 N ARG A 102 1.227 -8.517 8.018 1.00 0.00 N ATOM 1007 CA ARG A 102 0.200 -7.742 7.332 1.00 0.00 C ATOM 1008 C ARG A 102 0.816 -6.863 6.248 1.00 0.00 C ATOM 1009 O ARG A 102 1.434 -5.839 6.541 1.00 0.00 O ATOM 1010 CB ARG A 102 -0.566 -6.874 8.333 1.00 0.00 C ATOM 1011 CG ARG A 102 -1.545 -7.657 9.193 1.00 0.00 C ATOM 1012 CD ARG A 102 -2.736 -6.803 9.599 1.00 0.00 C ATOM 1013 NE ARG A 102 -2.417 -5.911 10.711 1.00 0.00 N ATOM 1014 CZ ARG A 102 -2.479 -6.276 11.987 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -2.847 -7.508 12.310 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -2.173 -5.408 12.942 1.00 0.00 N ATOM 0 H ARG A 102 2.067 -7.989 8.254 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.492 -8.439 6.860 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.148 -6.365 8.981 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.110 -6.101 7.790 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.893 -8.532 8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.036 -8.022 10.085 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.067 -6.213 8.744 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.567 -7.450 9.880 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.131 -4.956 10.496 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.083 -8.178 11.578 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -2.894 -7.786 13.290 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.890 -4.459 12.697 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.221 -5.689 13.921 1.00 0.00 H new ATOM 1030 N TYR A 103 0.643 -7.270 4.995 1.00 0.00 N ATOM 1031 CA TYR A 103 1.184 -6.521 3.867 1.00 0.00 C ATOM 1032 C TYR A 103 0.182 -5.484 3.371 1.00 0.00 C ATOM 1033 O TYR A 103 -0.996 -5.521 3.727 1.00 0.00 O ATOM 1034 CB TYR A 103 1.556 -7.473 2.728 1.00 0.00 C ATOM 1035 CG TYR A 103 0.375 -8.221 2.154 1.00 0.00 C ATOM 1036 CD1 TYR A 103 -0.513 -7.596 1.286 1.00 0.00 C ATOM 1037 CD2 TYR A 103 0.147 -9.553 2.478 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -1.594 -8.276 0.759 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -0.931 -10.240 1.954 1.00 0.00 C ATOM 1040 CZ TYR A 103 -1.799 -9.598 1.096 1.00 0.00 C ATOM 1041 OH TYR A 103 -2.874 -10.278 0.572 1.00 0.00 O ATOM 0 H TYR A 103 0.133 -8.114 4.735 1.00 0.00 H new ATOM 0 HA TYR A 103 2.080 -6.001 4.205 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.036 -6.904 1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.289 -8.193 3.092 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.355 -6.561 1.019 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.824 -10.059 3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.275 -7.775 0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -1.093 -11.275 2.215 1.00 0.00 H new ATOM 0 HH TYR A 103 -2.874 -11.199 0.908 1.00 0.00 H new ATOM 1051 N VAL A 104 0.659 -4.558 2.544 1.00 0.00 N ATOM 1052 CA VAL A 104 -0.194 -3.510 1.996 1.00 0.00 C ATOM 1053 C VAL A 104 -0.319 -3.640 0.482 1.00 0.00 C ATOM 1054 O VAL A 104 0.622 -4.051 -0.196 1.00 0.00 O ATOM 1055 CB VAL A 104 0.348 -2.110 2.338 1.00 0.00 C ATOM 1056 CG1 VAL A 104 1.639 -1.838 1.582 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.695 -1.046 2.029 1.00 0.00 C ATOM 0 H VAL A 104 1.631 -4.513 2.239 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.177 -3.631 2.450 1.00 0.00 H new ATOM 0 HB VAL A 104 0.566 -2.074 3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.007 -0.844 1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.386 -2.583 1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.451 -1.892 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.296 -0.062 2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.946 -1.080 0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.592 -1.233 2.620 1.00 0.00 H new ATOM 1067 N MET A 105 -1.488 -3.284 -0.042 1.00 0.00 N ATOM 1068 CA MET A 105 -1.736 -3.359 -1.477 1.00 0.00 C ATOM 1069 C MET A 105 -2.350 -2.061 -1.991 1.00 0.00 C ATOM 1070 O MET A 105 -3.043 -1.358 -1.255 1.00 0.00 O ATOM 1071 CB MET A 105 -2.659 -4.536 -1.796 1.00 0.00 C ATOM 1072 CG MET A 105 -1.937 -5.871 -1.880 1.00 0.00 C ATOM 1073 SD MET A 105 -2.976 -7.182 -2.552 1.00 0.00 S ATOM 1074 CE MET A 105 -2.953 -6.771 -4.296 1.00 0.00 C ATOM 0 H MET A 105 -2.277 -2.941 0.505 1.00 0.00 H new ATOM 0 HA MET A 105 -0.780 -3.511 -1.978 1.00 0.00 H new ATOM 0 HB2 MET A 105 -3.432 -4.598 -1.030 1.00 0.00 H new ATOM 0 HB3 MET A 105 -3.163 -4.345 -2.743 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.049 -5.761 -2.503 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.595 -6.158 -0.886 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.902 -7.057 -4.750 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.803 -5.698 -4.415 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.140 -7.307 -4.786 1.00 0.00 H new ATOM 1084 N ILE A 106 -2.092 -1.750 -3.257 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.621 -0.537 -3.868 1.00 0.00 C ATOM 1086 C ILE A 106 -3.256 -0.835 -5.222 1.00 0.00 C ATOM 1087 O ILE A 106 -2.782 -1.694 -5.966 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.523 0.527 -4.051 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.449 0.021 -5.017 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -0.906 0.888 -2.708 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.403 1.124 -5.605 1.00 0.00 C ATOM 0 H ILE A 106 -1.520 -2.321 -3.879 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.382 -0.149 -3.190 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.974 1.424 -4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.196 -0.685 -4.493 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.930 -0.527 -5.827 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.132 1.641 -2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.678 1.284 -2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.466 -0.002 -2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.142 0.692 -6.280 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.231 1.818 -6.157 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.912 1.658 -4.802 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.330 -0.118 -5.537 1.00 0.00 N ATOM 1104 CA PHE A 107 -5.029 -0.305 -6.803 1.00 0.00 C ATOM 1105 C PHE A 107 -5.279 1.035 -7.489 1.00 0.00 C ATOM 1106 O PHE A 107 -5.300 2.082 -6.842 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.357 -1.029 -6.574 1.00 0.00 C ATOM 1108 CG PHE A 107 -6.196 -2.415 -6.016 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.694 -2.608 -4.739 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.547 -3.524 -6.768 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.545 -3.881 -4.224 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.400 -4.800 -6.258 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.899 -4.979 -4.984 1.00 0.00 C ATOM 0 H PHE A 107 -4.735 0.597 -4.933 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.398 -0.913 -7.452 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.970 -0.440 -5.891 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.898 -1.087 -7.519 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.416 -1.754 -4.140 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -6.940 -3.390 -7.765 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -5.152 -4.018 -3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.677 -5.656 -6.855 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.784 -5.975 -4.583 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.469 0.993 -8.803 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.718 2.202 -9.579 1.00 0.00 C ATOM 1125 C LYS A 108 -7.196 2.578 -9.541 1.00 0.00 C ATOM 1126 O LYS A 108 -8.025 1.828 -9.024 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.269 2.004 -11.029 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.805 2.336 -11.263 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.494 2.474 -12.744 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.224 3.277 -12.974 1.00 0.00 C ATOM 1131 NZ LYS A 108 -2.099 3.724 -14.389 1.00 0.00 N ATOM 0 H LYS A 108 -5.455 0.134 -9.353 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.143 3.014 -9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.449 0.969 -11.318 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.883 2.628 -11.679 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.555 3.265 -10.750 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.180 1.555 -10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.385 1.484 -13.188 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.329 2.960 -13.249 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.220 4.147 -12.317 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.358 2.671 -12.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.266 4.338 -14.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.992 2.894 -15.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.952 4.252 -14.663 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.520 3.743 -10.092 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.898 4.217 -10.124 1.00 0.00 C ATOM 1147 C LYS A 109 -9.797 3.230 -10.861 1.00 0.00 C ATOM 1148 O LYS A 109 -10.797 2.762 -10.318 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.971 5.590 -10.796 1.00 0.00 C ATOM 1150 CG LYS A 109 -10.390 6.070 -11.048 1.00 0.00 C ATOM 1151 CD LYS A 109 -10.926 6.867 -9.871 1.00 0.00 C ATOM 1152 CE LYS A 109 -11.629 5.970 -8.864 1.00 0.00 C ATOM 1153 NZ LYS A 109 -13.017 5.638 -9.291 1.00 0.00 N ATOM 0 H LYS A 109 -6.846 4.376 -10.523 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.250 4.303 -9.096 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.456 6.319 -10.171 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.436 5.549 -11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.412 6.687 -11.947 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -11.037 5.213 -11.233 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.105 7.392 -9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.621 7.626 -10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -11.058 5.050 -8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.656 6.465 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.462 5.025 -8.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.569 6.514 -9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.990 5.143 -10.205 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.433 2.917 -12.101 1.00 0.00 N ATOM 1168 CA GLU A 110 -10.207 1.984 -12.912 1.00 0.00 C ATOM 1169 C GLU A 110 -10.021 0.552 -12.420 1.00 0.00 C ATOM 1170 O GLU A 110 -10.972 -0.228 -12.371 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.796 2.088 -14.382 1.00 0.00 C ATOM 1172 CG GLU A 110 -10.689 1.295 -15.321 1.00 0.00 C ATOM 1173 CD GLU A 110 -10.724 1.876 -16.721 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -9.870 1.488 -17.546 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -11.605 2.718 -16.992 1.00 0.00 O ATOM 0 H GLU A 110 -8.608 3.296 -12.566 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.260 2.248 -12.818 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.809 3.136 -14.681 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -8.769 1.738 -14.489 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.337 0.265 -15.368 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.701 1.268 -14.917 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.788 0.213 -12.057 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.476 -1.126 -11.571 1.00 0.00 C ATOM 1184 C PHE A 111 -8.721 -1.230 -10.068 1.00 0.00 C ATOM 1185 O PHE A 111 -8.222 -2.141 -9.408 1.00 0.00 O ATOM 1186 CB PHE A 111 -7.021 -1.480 -11.887 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.685 -1.386 -13.348 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -7.360 -2.161 -14.278 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -5.696 -0.523 -13.791 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -7.052 -2.077 -15.623 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -5.385 -0.435 -15.135 1.00 0.00 C ATOM 1192 CZ PHE A 111 -6.064 -1.212 -16.052 1.00 0.00 C ATOM 0 H PHE A 111 -7.989 0.847 -12.090 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.133 -1.832 -12.079 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.364 -0.814 -11.328 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.818 -2.493 -11.540 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.135 -2.838 -13.948 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.162 0.088 -13.078 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.584 -2.687 -16.338 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.611 0.241 -15.467 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.823 -1.144 -17.103 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.493 -0.289 -9.534 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.806 -0.274 -8.111 1.00 0.00 C ATOM 1204 C ALA A 112 -10.742 -1.420 -7.743 1.00 0.00 C ATOM 1205 O ALA A 112 -11.623 -1.805 -8.512 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.423 1.060 -7.720 1.00 0.00 C ATOM 0 H ALA A 112 -9.913 0.473 -10.066 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.876 -0.407 -7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.652 1.057 -6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.720 1.864 -7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.340 1.217 -8.287 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.549 -1.980 -6.540 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.367 -3.091 -6.043 1.00 0.00 C ATOM 1214 C PRO A 113 -12.794 -2.661 -5.722 1.00 0.00 C ATOM 1215 O PRO A 113 -13.067 -1.477 -5.526 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.639 -3.524 -4.767 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.905 -2.307 -4.318 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.517 -1.572 -5.571 1.00 0.00 C ATOM 0 HA PRO A 113 -11.469 -3.885 -6.783 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.342 -3.866 -4.007 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.955 -4.350 -4.962 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.533 -1.686 -3.680 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -9.024 -2.575 -3.734 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.513 -0.493 -5.419 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.518 -1.850 -5.907 1.00 0.00 H new ATOM 1226 N SER A 114 -13.701 -3.632 -5.671 1.00 0.00 N ATOM 1227 CA SER A 114 -15.102 -3.353 -5.377 1.00 0.00 C ATOM 1228 C SER A 114 -15.395 -3.544 -3.892 1.00 0.00 C ATOM 1229 O SER A 114 -14.627 -4.186 -3.175 1.00 0.00 O ATOM 1230 CB SER A 114 -16.010 -4.262 -6.209 1.00 0.00 C ATOM 1231 OG SER A 114 -16.103 -3.804 -7.546 1.00 0.00 O ATOM 0 H SER A 114 -13.491 -4.618 -5.829 1.00 0.00 H new ATOM 0 HA SER A 114 -15.302 -2.314 -5.638 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.621 -5.280 -6.196 1.00 0.00 H new ATOM 0 HB3 SER A 114 -17.004 -4.295 -5.763 1.00 0.00 H new ATOM 0 HG SER A 114 -16.687 -4.403 -8.057 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.510 -2.983 -3.438 1.00 0.00 N ATOM 1238 CA ASP A 115 -16.906 -3.091 -2.039 1.00 0.00 C ATOM 1239 C ASP A 115 -16.966 -4.552 -1.603 1.00 0.00 C ATOM 1240 O ASP A 115 -16.165 -4.998 -0.782 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.264 -2.423 -1.818 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.487 -2.031 -0.371 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -17.489 -1.894 0.367 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -19.660 -1.862 0.025 1.00 0.00 O ATOM 0 H ASP A 115 -17.156 -2.448 -4.019 1.00 0.00 H new ATOM 0 HA ASP A 115 -16.157 -2.580 -1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -18.336 -1.536 -2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -19.056 -3.103 -2.134 1.00 0.00 H new ATOM 1249 N GLU A 116 -17.922 -5.291 -2.158 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.088 -6.700 -1.824 1.00 0.00 C ATOM 1251 C GLU A 116 -16.771 -7.455 -1.982 1.00 0.00 C ATOM 1252 O GLU A 116 -16.370 -8.214 -1.100 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.161 -7.335 -2.712 1.00 0.00 C ATOM 1254 CG GLU A 116 -20.574 -7.144 -2.188 1.00 0.00 C ATOM 1255 CD GLU A 116 -20.925 -5.684 -1.974 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -20.710 -4.879 -2.905 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -21.415 -5.347 -0.876 1.00 0.00 O ATOM 0 H GLU A 116 -18.592 -4.937 -2.840 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.403 -6.765 -0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.092 -6.908 -3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -18.958 -8.402 -2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -21.281 -7.584 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -20.684 -7.682 -1.246 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.104 -7.241 -3.112 1.00 0.00 N ATOM 1265 CA GLU A 117 -14.833 -7.902 -3.385 1.00 0.00 C ATOM 1266 C GLU A 117 -13.821 -7.613 -2.280 1.00 0.00 C ATOM 1267 O GLU A 117 -13.096 -8.505 -1.838 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.276 -7.445 -4.735 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.252 -7.615 -5.886 1.00 0.00 C ATOM 1270 CD GLU A 117 -15.572 -9.070 -6.170 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -16.350 -9.669 -5.398 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -15.043 -9.610 -7.164 1.00 0.00 O ATOM 0 H GLU A 117 -16.422 -6.616 -3.852 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.011 -8.977 -3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.991 -6.395 -4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.369 -8.008 -4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.175 -7.082 -5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.834 -7.157 -6.783 1.00 0.00 H new ATOM 1279 N LEU A 118 -13.777 -6.361 -1.839 1.00 0.00 N ATOM 1280 CA LEU A 118 -12.853 -5.952 -0.786 1.00 0.00 C ATOM 1281 C LEU A 118 -13.046 -6.802 0.466 1.00 0.00 C ATOM 1282 O LEU A 118 -12.084 -7.337 1.019 1.00 0.00 O ATOM 1283 CB LEU A 118 -13.054 -4.474 -0.449 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.391 -3.474 -1.396 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -12.934 -2.073 -1.159 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -10.879 -3.497 -1.224 1.00 0.00 C ATOM 0 H LEU A 118 -14.370 -5.611 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.836 -6.099 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.124 -4.269 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.675 -4.297 0.558 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.625 -3.764 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.450 -1.375 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.010 -2.065 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.731 -1.773 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.424 -2.779 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.626 -3.233 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.503 -4.496 -1.445 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.293 -6.923 0.906 1.00 0.00 N ATOM 1299 CA ASP A 119 -14.612 -7.711 2.092 1.00 0.00 C ATOM 1300 C ASP A 119 -14.136 -9.151 1.931 1.00 0.00 C ATOM 1301 O ASP A 119 -13.636 -9.759 2.878 1.00 0.00 O ATOM 1302 CB ASP A 119 -16.118 -7.685 2.357 1.00 0.00 C ATOM 1303 CG ASP A 119 -16.452 -7.893 3.821 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -16.083 -7.029 4.643 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -17.084 -8.920 4.144 1.00 0.00 O ATOM 0 H ASP A 119 -15.100 -6.486 0.460 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.094 -7.269 2.943 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.526 -6.730 2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.602 -8.460 1.763 1.00 0.00 H new ATOM 1310 N SER A 120 -14.297 -9.692 0.728 1.00 0.00 N ATOM 1311 CA SER A 120 -13.888 -11.062 0.445 1.00 0.00 C ATOM 1312 C SER A 120 -12.367 -11.186 0.443 1.00 0.00 C ATOM 1313 O SER A 120 -11.808 -12.114 1.028 1.00 0.00 O ATOM 1314 CB SER A 120 -14.450 -11.517 -0.904 1.00 0.00 C ATOM 1315 OG SER A 120 -13.867 -12.742 -1.312 1.00 0.00 O ATOM 0 H SER A 120 -14.708 -9.202 -0.067 1.00 0.00 H new ATOM 0 HA SER A 120 -14.286 -11.703 1.231 1.00 0.00 H new ATOM 0 HB2 SER A 120 -15.531 -11.632 -0.831 1.00 0.00 H new ATOM 0 HB3 SER A 120 -14.261 -10.752 -1.657 1.00 0.00 H new ATOM 0 HG SER A 120 -14.244 -13.012 -2.176 1.00 0.00 H new ATOM 1321 N TYR A 121 -11.704 -10.245 -0.220 1.00 0.00 N ATOM 1322 CA TYR A 121 -10.249 -10.249 -0.301 1.00 0.00 C ATOM 1323 C TYR A 121 -9.626 -10.339 1.089 1.00 0.00 C ATOM 1324 O TYR A 121 -8.701 -11.119 1.317 1.00 0.00 O ATOM 1325 CB TYR A 121 -9.753 -8.989 -1.013 1.00 0.00 C ATOM 1326 CG TYR A 121 -9.933 -9.031 -2.514 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.319 -10.015 -3.279 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -10.716 -8.087 -3.166 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.480 -10.057 -4.651 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -10.884 -8.123 -4.537 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.263 -9.109 -5.275 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.427 -9.147 -6.640 1.00 0.00 O ATOM 0 H TYR A 121 -12.152 -9.470 -0.709 1.00 0.00 H new ATOM 0 HA TYR A 121 -9.945 -11.125 -0.873 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -10.285 -8.124 -0.616 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -8.697 -8.846 -0.786 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -8.706 -10.760 -2.793 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.202 -7.312 -2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -8.995 -10.828 -5.231 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.498 -7.383 -5.028 1.00 0.00 H new ATOM 0 HH TYR A 121 -11.009 -8.410 -6.920 1.00 0.00 H new ATOM 1342 N ARG A 122 -10.140 -9.536 2.014 1.00 0.00 N ATOM 1343 CA ARG A 122 -9.635 -9.524 3.382 1.00 0.00 C ATOM 1344 C ARG A 122 -9.928 -10.849 4.081 1.00 0.00 C ATOM 1345 O ARG A 122 -9.072 -11.398 4.775 1.00 0.00 O ATOM 1346 CB ARG A 122 -10.260 -8.371 4.169 1.00 0.00 C ATOM 1347 CG ARG A 122 -9.875 -6.997 3.645 1.00 0.00 C ATOM 1348 CD ARG A 122 -10.055 -5.925 4.708 1.00 0.00 C ATOM 1349 NE ARG A 122 -9.170 -4.783 4.489 1.00 0.00 N ATOM 1350 CZ ARG A 122 -9.178 -3.692 5.246 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -10.019 -3.595 6.266 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -8.343 -2.695 4.983 1.00 0.00 N ATOM 0 H ARG A 122 -10.906 -8.885 1.841 1.00 0.00 H new ATOM 0 HA ARG A 122 -8.555 -9.384 3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.345 -8.470 4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -9.959 -8.450 5.214 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -8.837 -7.011 3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -10.485 -6.754 2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -11.091 -5.586 4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -9.859 -6.353 5.691 1.00 0.00 H new ATOM 0 HE ARG A 122 -8.510 -4.826 3.712 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -10.662 -4.360 6.471 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -10.023 -2.756 6.846 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -7.694 -2.766 4.199 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -8.350 -1.857 5.565 1.00 0.00 H new ATOM 1366 N ARG A 123 -11.142 -11.355 3.894 1.00 0.00 N ATOM 1367 CA ARG A 123 -11.548 -12.614 4.508 1.00 0.00 C ATOM 1368 C ARG A 123 -10.629 -13.752 4.073 1.00 0.00 C ATOM 1369 O ARG A 123 -10.433 -14.719 4.807 1.00 0.00 O ATOM 1370 CB ARG A 123 -12.995 -12.943 4.137 1.00 0.00 C ATOM 1371 CG ARG A 123 -14.023 -12.221 4.994 1.00 0.00 C ATOM 1372 CD ARG A 123 -14.087 -12.806 6.396 1.00 0.00 C ATOM 1373 NE ARG A 123 -14.815 -14.072 6.429 1.00 0.00 N ATOM 1374 CZ ARG A 123 -16.138 -14.157 6.519 1.00 0.00 C ATOM 1375 NH1 ARG A 123 -16.873 -13.055 6.585 1.00 0.00 N ATOM 1376 NH2 ARG A 123 -16.727 -15.345 6.543 1.00 0.00 N ATOM 0 H ARG A 123 -11.862 -10.913 3.322 1.00 0.00 H new ATOM 0 HA ARG A 123 -11.473 -12.503 5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -13.161 -12.685 3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.149 -14.018 4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -13.772 -11.162 5.051 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -15.004 -12.291 4.524 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -13.075 -12.960 6.771 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -14.570 -12.093 7.064 1.00 0.00 H new ATOM 0 HE ARG A 123 -14.278 -14.938 6.380 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -16.423 -12.140 6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -17.888 -13.123 6.654 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -16.164 -16.194 6.492 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -17.743 -15.409 6.612 1.00 0.00 H new ATOM 1390 N GLY A 124 -10.068 -13.628 2.874 1.00 0.00 N ATOM 1391 CA GLY A 124 -9.178 -14.653 2.363 1.00 0.00 C ATOM 1392 C GLY A 124 -9.233 -14.769 0.852 1.00 0.00 C ATOM 1393 O GLY A 124 -9.731 -13.872 0.172 1.00 0.00 O ATOM 0 H GLY A 124 -10.214 -12.836 2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.156 -14.429 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.441 -15.613 2.808 1.00 0.00 H new ATOM 1397 N SER A 125 -8.721 -15.877 0.326 1.00 0.00 N ATOM 1398 CA SER A 125 -8.709 -16.104 -1.115 1.00 0.00 C ATOM 1399 C SER A 125 -9.337 -17.452 -1.457 1.00 0.00 C ATOM 1400 O SER A 125 -9.261 -18.401 -0.677 1.00 0.00 O ATOM 1401 CB SER A 125 -7.277 -16.045 -1.650 1.00 0.00 C ATOM 1402 OG SER A 125 -7.224 -16.448 -3.008 1.00 0.00 O ATOM 0 H SER A 125 -8.309 -16.631 0.875 1.00 0.00 H new ATOM 0 HA SER A 125 -9.298 -15.318 -1.587 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.890 -15.030 -1.553 1.00 0.00 H new ATOM 0 HB3 SER A 125 -6.634 -16.690 -1.050 1.00 0.00 H new ATOM 0 HG SER A 125 -6.299 -16.400 -3.328 1.00 0.00 H new ATOM 1408 N GLY A 126 -9.958 -17.528 -2.630 1.00 0.00 N ATOM 1409 CA GLY A 126 -10.590 -18.763 -3.056 1.00 0.00 C ATOM 1410 C GLY A 126 -11.879 -18.522 -3.817 1.00 0.00 C ATOM 1411 O GLY A 126 -12.266 -17.383 -4.080 1.00 0.00 O ATOM 0 H GLY A 126 -10.035 -16.757 -3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -9.899 -19.323 -3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -10.797 -19.381 -2.183 1.00 0.00 H new ATOM 1415 N PRO A 127 -12.565 -19.613 -4.187 1.00 0.00 N ATOM 1416 CA PRO A 127 -13.827 -19.541 -4.929 1.00 0.00 C ATOM 1417 C PRO A 127 -14.968 -18.990 -4.080 1.00 0.00 C ATOM 1418 O PRO A 127 -14.851 -18.883 -2.859 1.00 0.00 O ATOM 1419 CB PRO A 127 -14.099 -20.998 -5.309 1.00 0.00 C ATOM 1420 CG PRO A 127 -13.383 -21.799 -4.277 1.00 0.00 C ATOM 1421 CD PRO A 127 -12.163 -21.002 -3.908 1.00 0.00 C ATOM 0 HA PRO A 127 -13.759 -18.869 -5.784 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -15.167 -21.215 -5.307 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -13.730 -21.222 -6.310 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -14.016 -21.969 -3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -13.106 -22.779 -4.666 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -11.895 -21.140 -2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -11.297 -21.296 -4.500 1.00 0.00 H new ATOM 1429 N SER A 128 -16.072 -18.643 -4.734 1.00 0.00 N ATOM 1430 CA SER A 128 -17.233 -18.101 -4.039 1.00 0.00 C ATOM 1431 C SER A 128 -17.972 -19.197 -3.277 1.00 0.00 C ATOM 1432 O SER A 128 -18.203 -19.084 -2.073 1.00 0.00 O ATOM 1433 CB SER A 128 -18.181 -17.428 -5.034 1.00 0.00 C ATOM 1434 OG SER A 128 -19.405 -17.075 -4.414 1.00 0.00 O ATOM 0 H SER A 128 -16.187 -18.728 -5.744 1.00 0.00 H new ATOM 0 HA SER A 128 -16.882 -17.358 -3.322 1.00 0.00 H new ATOM 0 HB2 SER A 128 -17.708 -16.536 -5.446 1.00 0.00 H new ATOM 0 HB3 SER A 128 -18.374 -18.101 -5.869 1.00 0.00 H new ATOM 0 HG SER A 128 -19.992 -16.645 -5.070 1.00 0.00 H new ATOM 1440 N SER A 129 -18.340 -20.258 -3.988 1.00 0.00 N ATOM 1441 CA SER A 129 -19.056 -21.374 -3.381 1.00 0.00 C ATOM 1442 C SER A 129 -20.281 -20.882 -2.617 1.00 0.00 C ATOM 1443 O SER A 129 -20.589 -21.374 -1.532 1.00 0.00 O ATOM 1444 CB SER A 129 -18.131 -22.149 -2.440 1.00 0.00 C ATOM 1445 OG SER A 129 -18.019 -21.498 -1.186 1.00 0.00 O ATOM 0 H SER A 129 -18.154 -20.368 -4.985 1.00 0.00 H new ATOM 0 HA SER A 129 -19.389 -22.037 -4.179 1.00 0.00 H new ATOM 0 HB2 SER A 129 -18.516 -23.159 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 129 -17.144 -22.246 -2.893 1.00 0.00 H new ATOM 0 HG SER A 129 -17.780 -20.558 -1.326 1.00 0.00 H new ATOM 1451 N GLY A 130 -20.978 -19.906 -3.192 1.00 0.00 N ATOM 1452 CA GLY A 130 -22.162 -19.363 -2.553 1.00 0.00 C ATOM 1453 C GLY A 130 -23.369 -19.366 -3.469 1.00 0.00 C ATOM 1454 O GLY A 130 -24.506 -19.467 -3.008 1.00 0.00 O ATOM 0 H GLY A 130 -20.743 -19.482 -4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -22.387 -19.944 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -21.960 -18.343 -2.227 1.00 0.00 H new TER 1458 GLY A 130