USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 806 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 27 LYS NZ :NH3+ -174:sc= 0.262 (180deg=-0.363) USER MOD Set 1.2: A 94 SER OG : rot 180:sc= 0.579 USER MOD Set 2.1: A 40 GLN :FLIP amide:sc= 0.117 F(o=-5.9!,f=-4.3) USER MOD Set 2.2: A 48 ASN :FLIP amide:sc= -4.45! C(o=-5.9!,f=-4.3!) USER MOD Single : A 4 LYS NZ :NH3+ 147:sc= 0.681 (180deg=0.244) USER MOD Single : A 5 SER OG : rot -148:sc= 0.765 USER MOD Single : A 7 MET CE :methyl -130:sc= 0 (180deg=-0.981) USER MOD Single : A 10 SER OG : rot 80:sc= 0.122 USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0231) USER MOD Single : A 50 TYR OH : rot 30:sc= -0.903 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.967 USER MOD Single : A 103 THR OG1 : rot -113:sc= -0.339 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -9:sc= 0.0576 USER MOD Single : A 115 GLN : amide:sc=-0.00875 X(o=-0.0088,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 2.129 -2.047 -2.695 1.00 0.00 N ATOM 19 CA ARG A 2 2.646 -2.946 -3.750 1.00 0.00 C ATOM 20 C ARG A 2 4.051 -3.486 -3.393 1.00 0.00 C ATOM 21 O ARG A 2 5.063 -3.122 -4.015 1.00 0.00 O ATOM 22 CB ARG A 2 2.653 -2.263 -5.148 1.00 0.00 C ATOM 23 CG ARG A 2 1.315 -1.627 -5.571 1.00 0.00 C ATOM 24 CD ARG A 2 1.393 -0.991 -6.961 1.00 0.00 C ATOM 25 NE ARG A 2 0.218 -0.155 -7.269 1.00 0.00 N ATOM 26 CZ ARG A 2 0.062 0.567 -8.386 1.00 0.00 C ATOM 27 NH1 ARG A 2 0.983 0.551 -9.344 1.00 0.00 N ATOM 28 NH2 ARG A 2 -1.025 1.297 -8.544 1.00 0.00 N ATOM 0 HA ARG A 2 1.962 -3.793 -3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.423 -1.491 -5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.938 -3.003 -5.896 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.534 -2.388 -5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.028 -0.869 -4.842 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.295 -0.382 -7.028 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.482 -1.777 -7.711 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.533 -0.124 -6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.823 -0.017 -9.234 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.850 1.106 -10.189 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.741 1.309 -7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.150 1.849 -9.393 1.00 0.00 H new ATOM 42 N LEU A 3 4.092 -4.326 -2.360 1.00 0.00 N ATOM 43 CA LEU A 3 5.341 -4.841 -1.766 1.00 0.00 C ATOM 44 C LEU A 3 5.264 -6.364 -1.573 1.00 0.00 C ATOM 45 O LEU A 3 4.287 -7.006 -1.980 1.00 0.00 O ATOM 46 CB LEU A 3 5.638 -4.081 -0.420 1.00 0.00 C ATOM 47 CG LEU A 3 4.402 -3.597 0.426 1.00 0.00 C ATOM 48 CD1 LEU A 3 3.442 -4.742 0.787 1.00 0.00 C ATOM 49 CD2 LEU A 3 4.849 -2.837 1.697 1.00 0.00 C ATOM 0 H LEU A 3 3.252 -4.677 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 3 6.173 -4.654 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.242 -4.734 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.249 -3.209 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 3 3.849 -2.907 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.609 -4.349 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.061 -5.199 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.974 -5.491 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.971 -2.517 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.457 -3.494 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.435 -1.963 1.411 1.00 0.00 H new ATOM 61 N LYS A 4 6.321 -6.932 -0.973 1.00 0.00 N ATOM 62 CA LYS A 4 6.333 -8.334 -0.537 1.00 0.00 C ATOM 63 C LYS A 4 5.429 -8.516 0.695 1.00 0.00 C ATOM 64 O LYS A 4 5.161 -7.557 1.426 1.00 0.00 O ATOM 65 CB LYS A 4 7.774 -8.786 -0.184 1.00 0.00 C ATOM 66 CG LYS A 4 8.776 -8.774 -1.356 1.00 0.00 C ATOM 67 CD LYS A 4 10.147 -9.352 -0.946 1.00 0.00 C ATOM 68 CE LYS A 4 11.185 -9.312 -2.080 1.00 0.00 C ATOM 69 NZ LYS A 4 12.480 -9.924 -1.668 1.00 0.00 N ATOM 0 H LYS A 4 7.189 -6.433 -0.777 1.00 0.00 H new ATOM 0 HA LYS A 4 5.959 -8.946 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.156 -8.139 0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.730 -9.796 0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.371 -9.353 -2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.905 -7.752 -1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.529 -8.792 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.016 -10.383 -0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.794 -9.840 -2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.352 -8.278 -2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.923 -10.384 -2.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.113 -9.184 -1.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.309 -10.631 -0.925 1.00 0.00 H new ATOM 83 N SER A 5 4.994 -9.758 0.910 1.00 0.00 N ATOM 84 CA SER A 5 4.259 -10.178 2.110 1.00 0.00 C ATOM 85 C SER A 5 5.115 -9.941 3.381 1.00 0.00 C ATOM 86 O SER A 5 4.595 -9.575 4.438 1.00 0.00 O ATOM 87 CB SER A 5 3.909 -11.672 1.958 1.00 0.00 C ATOM 88 OG SER A 5 3.329 -11.937 0.688 1.00 0.00 O ATOM 0 H SER A 5 5.144 -10.516 0.245 1.00 0.00 H new ATOM 0 HA SER A 5 3.346 -9.592 2.216 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.809 -12.274 2.082 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.217 -11.968 2.746 1.00 0.00 H new ATOM 0 HG SER A 5 2.681 -12.668 0.770 1.00 0.00 H new ATOM 94 N GLU A 6 6.439 -10.136 3.225 1.00 0.00 N ATOM 95 CA GLU A 6 7.450 -9.876 4.265 1.00 0.00 C ATOM 96 C GLU A 6 7.447 -8.402 4.693 1.00 0.00 C ATOM 97 O GLU A 6 7.372 -8.076 5.890 1.00 0.00 O ATOM 98 CB GLU A 6 8.853 -10.267 3.717 1.00 0.00 C ATOM 99 CG GLU A 6 10.045 -9.921 4.641 1.00 0.00 C ATOM 100 CD GLU A 6 11.379 -10.537 4.178 1.00 0.00 C ATOM 101 OE1 GLU A 6 12.058 -9.938 3.318 1.00 0.00 O ATOM 102 OE2 GLU A 6 11.754 -11.622 4.681 1.00 0.00 O ATOM 0 H GLU A 6 6.842 -10.485 2.356 1.00 0.00 H new ATOM 0 HA GLU A 6 7.209 -10.476 5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.863 -11.340 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.002 -9.770 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.152 -8.838 4.692 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.825 -10.268 5.651 1.00 0.00 H new ATOM 109 N MET A 7 7.520 -7.524 3.682 1.00 0.00 N ATOM 110 CA MET A 7 7.578 -6.077 3.888 1.00 0.00 C ATOM 111 C MET A 7 6.204 -5.530 4.332 1.00 0.00 C ATOM 112 O MET A 7 6.141 -4.500 5.005 1.00 0.00 O ATOM 113 CB MET A 7 8.082 -5.355 2.611 1.00 0.00 C ATOM 114 CG MET A 7 8.189 -3.830 2.773 1.00 0.00 C ATOM 115 SD MET A 7 9.137 -3.362 4.240 1.00 0.00 S ATOM 116 CE MET A 7 8.574 -1.685 4.530 1.00 0.00 C ATOM 0 H MET A 7 7.540 -7.801 2.701 1.00 0.00 H new ATOM 0 HA MET A 7 8.292 -5.877 4.687 1.00 0.00 H new ATOM 0 HB2 MET A 7 9.060 -5.753 2.339 1.00 0.00 H new ATOM 0 HB3 MET A 7 7.406 -5.579 1.786 1.00 0.00 H new ATOM 0 HG2 MET A 7 8.661 -3.405 1.887 1.00 0.00 H new ATOM 0 HG3 MET A 7 7.188 -3.402 2.838 1.00 0.00 H new ATOM 0 HE1 MET A 7 9.435 -1.028 4.654 1.00 0.00 H new ATOM 0 HE2 MET A 7 7.980 -1.348 3.680 1.00 0.00 H new ATOM 0 HE3 MET A 7 7.964 -1.657 5.433 1.00 0.00 H new ATOM 126 N PHE A 8 5.105 -6.235 3.967 1.00 0.00 N ATOM 127 CA PHE A 8 3.742 -5.855 4.400 1.00 0.00 C ATOM 128 C PHE A 8 3.629 -5.989 5.925 1.00 0.00 C ATOM 129 O PHE A 8 3.065 -5.119 6.582 1.00 0.00 O ATOM 130 CB PHE A 8 2.641 -6.711 3.700 1.00 0.00 C ATOM 131 CG PHE A 8 1.211 -6.205 3.957 1.00 0.00 C ATOM 132 CD1 PHE A 8 0.486 -6.621 5.079 1.00 0.00 C ATOM 133 CD2 PHE A 8 0.603 -5.286 3.095 1.00 0.00 C ATOM 134 CE1 PHE A 8 -0.784 -6.140 5.322 1.00 0.00 C ATOM 135 CE2 PHE A 8 -0.670 -4.804 3.346 1.00 0.00 C ATOM 136 CZ PHE A 8 -1.362 -5.231 4.457 1.00 0.00 C ATOM 0 H PHE A 8 5.138 -7.066 3.376 1.00 0.00 H new ATOM 0 HA PHE A 8 3.577 -4.818 4.107 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.827 -6.719 2.626 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.720 -7.742 4.045 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.927 -7.329 5.765 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.136 -4.947 2.219 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.329 -6.475 6.192 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.121 -4.093 2.670 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.356 -4.856 4.652 1.00 0.00 H new ATOM 146 N VAL A 9 4.178 -7.094 6.456 1.00 0.00 N ATOM 147 CA VAL A 9 4.237 -7.359 7.907 1.00 0.00 C ATOM 148 C VAL A 9 5.014 -6.255 8.637 1.00 0.00 C ATOM 149 O VAL A 9 4.492 -5.643 9.574 1.00 0.00 O ATOM 150 CB VAL A 9 4.900 -8.755 8.192 1.00 0.00 C ATOM 151 CG1 VAL A 9 5.264 -8.946 9.679 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.987 -9.892 7.701 1.00 0.00 C ATOM 0 H VAL A 9 4.596 -7.833 5.890 1.00 0.00 H new ATOM 0 HA VAL A 9 3.214 -7.371 8.282 1.00 0.00 H new ATOM 0 HB VAL A 9 5.837 -8.786 7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.718 -9.927 9.819 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.969 -8.172 9.983 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.362 -8.874 10.287 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.460 -10.852 7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.030 -9.841 8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.823 -9.789 6.628 1.00 0.00 H new ATOM 162 N SER A 10 6.250 -6.002 8.168 1.00 0.00 N ATOM 163 CA SER A 10 7.147 -4.998 8.752 1.00 0.00 C ATOM 164 C SER A 10 6.457 -3.617 8.778 1.00 0.00 C ATOM 165 O SER A 10 6.372 -2.975 9.822 1.00 0.00 O ATOM 166 CB SER A 10 8.459 -4.946 7.940 1.00 0.00 C ATOM 167 OG SER A 10 9.055 -6.233 7.856 1.00 0.00 O ATOM 0 H SER A 10 6.653 -6.493 7.370 1.00 0.00 H new ATOM 0 HA SER A 10 7.383 -5.274 9.780 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.256 -4.569 6.938 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.154 -4.249 8.408 1.00 0.00 H new ATOM 0 HG SER A 10 8.609 -6.755 7.157 1.00 0.00 H new ATOM 173 N ALA A 11 5.875 -3.242 7.628 1.00 0.00 N ATOM 174 CA ALA A 11 5.153 -1.972 7.456 1.00 0.00 C ATOM 175 C ALA A 11 3.921 -1.892 8.379 1.00 0.00 C ATOM 176 O ALA A 11 3.665 -0.847 8.966 1.00 0.00 O ATOM 177 CB ALA A 11 4.734 -1.800 5.991 1.00 0.00 C ATOM 0 H ALA A 11 5.893 -3.816 6.785 1.00 0.00 H new ATOM 0 HA ALA A 11 5.827 -1.162 7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.200 -0.857 5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.621 -1.796 5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.083 -2.624 5.700 1.00 0.00 H new ATOM 183 N LEU A 12 3.212 -3.031 8.528 1.00 0.00 N ATOM 184 CA LEU A 12 1.986 -3.153 9.359 1.00 0.00 C ATOM 185 C LEU A 12 2.309 -2.804 10.821 1.00 0.00 C ATOM 186 O LEU A 12 1.569 -2.074 11.486 1.00 0.00 O ATOM 187 CB LEU A 12 1.404 -4.598 9.239 1.00 0.00 C ATOM 188 CG LEU A 12 -0.137 -4.804 9.462 1.00 0.00 C ATOM 189 CD1 LEU A 12 -0.545 -6.244 9.091 1.00 0.00 C ATOM 190 CD2 LEU A 12 -0.605 -4.468 10.901 1.00 0.00 C ATOM 0 H LEU A 12 3.474 -3.904 8.071 1.00 0.00 H new ATOM 0 HA LEU A 12 1.232 -2.452 9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.649 -4.973 8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.930 -5.228 9.956 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.638 -4.096 8.802 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.616 -6.371 9.251 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.310 -6.430 8.043 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.002 -6.950 9.716 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.679 -4.633 10.982 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.085 -5.110 11.612 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.381 -3.425 11.122 1.00 0.00 H new ATOM 202 N ILE A 13 3.451 -3.320 11.275 1.00 0.00 N ATOM 203 CA ILE A 13 3.978 -3.080 12.620 1.00 0.00 C ATOM 204 C ILE A 13 4.279 -1.567 12.821 1.00 0.00 C ATOM 205 O ILE A 13 3.942 -0.991 13.854 1.00 0.00 O ATOM 206 CB ILE A 13 5.250 -3.991 12.841 1.00 0.00 C ATOM 207 CG1 ILE A 13 4.836 -5.505 12.731 1.00 0.00 C ATOM 208 CG2 ILE A 13 5.969 -3.694 14.179 1.00 0.00 C ATOM 209 CD1 ILE A 13 5.978 -6.492 12.610 1.00 0.00 C ATOM 0 H ILE A 13 4.046 -3.926 10.710 1.00 0.00 H new ATOM 0 HA ILE A 13 3.237 -3.349 13.373 1.00 0.00 H new ATOM 0 HB ILE A 13 5.972 -3.759 12.058 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.246 -5.766 13.610 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.185 -5.622 11.864 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.835 -4.348 14.280 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.296 -2.654 14.194 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.283 -3.870 15.008 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.579 -7.504 12.541 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.558 -6.269 11.715 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.620 -6.415 13.487 1.00 0.00 H new ATOM 221 N ARG A 14 4.837 -0.919 11.782 1.00 0.00 N ATOM 222 CA ARG A 14 5.128 0.542 11.799 1.00 0.00 C ATOM 223 C ARG A 14 3.823 1.376 11.788 1.00 0.00 C ATOM 224 O ARG A 14 3.788 2.476 12.351 1.00 0.00 O ATOM 225 CB ARG A 14 6.059 0.949 10.609 1.00 0.00 C ATOM 226 CG ARG A 14 7.574 0.717 10.854 1.00 0.00 C ATOM 227 CD ARG A 14 7.918 -0.747 11.154 1.00 0.00 C ATOM 228 NE ARG A 14 9.333 -0.952 11.517 1.00 0.00 N ATOM 229 CZ ARG A 14 9.765 -1.741 12.516 1.00 0.00 C ATOM 230 NH1 ARG A 14 8.895 -2.358 13.308 1.00 0.00 N ATOM 231 NH2 ARG A 14 11.063 -1.903 12.722 1.00 0.00 N ATOM 0 H ARG A 14 5.100 -1.380 10.911 1.00 0.00 H new ATOM 0 HA ARG A 14 5.656 0.759 12.728 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.759 0.388 9.724 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.899 2.004 10.387 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.132 1.042 9.976 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.900 1.339 11.688 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.286 -1.102 11.968 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.683 -1.355 10.280 1.00 0.00 H new ATOM 0 HE ARG A 14 10.037 -0.458 10.969 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.893 -2.234 13.160 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.229 -2.955 14.064 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.738 -1.429 12.122 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.388 -2.502 13.481 1.00 0.00 H new ATOM 245 N ARG A 15 2.759 0.831 11.158 1.00 0.00 N ATOM 246 CA ARG A 15 1.433 1.481 11.090 1.00 0.00 C ATOM 247 C ARG A 15 0.789 1.548 12.490 1.00 0.00 C ATOM 248 O ARG A 15 0.257 2.594 12.890 1.00 0.00 O ATOM 249 CB ARG A 15 0.481 0.710 10.129 1.00 0.00 C ATOM 250 CG ARG A 15 0.938 0.618 8.661 1.00 0.00 C ATOM 251 CD ARG A 15 0.010 -0.274 7.809 1.00 0.00 C ATOM 252 NE ARG A 15 0.543 -0.502 6.459 1.00 0.00 N ATOM 253 CZ ARG A 15 0.110 -1.442 5.608 1.00 0.00 C ATOM 254 NH1 ARG A 15 -0.873 -2.277 5.951 1.00 0.00 N ATOM 255 NH2 ARG A 15 0.667 -1.539 4.413 1.00 0.00 N ATOM 0 H ARG A 15 2.796 -0.071 10.683 1.00 0.00 H new ATOM 0 HA ARG A 15 1.583 2.491 10.709 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.350 -0.302 10.513 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.497 1.190 10.155 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.971 1.619 8.230 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.953 0.222 8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.129 -1.232 8.309 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.972 0.193 7.736 1.00 0.00 H new ATOM 0 HE ARG A 15 1.302 0.103 6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.306 -2.205 6.872 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.192 -2.987 5.292 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.418 -0.902 4.147 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.346 -2.251 3.757 1.00 0.00 H new ATOM 269 N VAL A 16 0.838 0.414 13.224 1.00 0.00 N ATOM 270 CA VAL A 16 0.189 0.302 14.543 1.00 0.00 C ATOM 271 C VAL A 16 0.943 1.137 15.602 1.00 0.00 C ATOM 272 O VAL A 16 0.314 1.818 16.402 1.00 0.00 O ATOM 273 CB VAL A 16 0.016 -1.193 15.036 1.00 0.00 C ATOM 274 CG1 VAL A 16 -0.615 -2.086 13.951 1.00 0.00 C ATOM 275 CG2 VAL A 16 1.328 -1.807 15.531 1.00 0.00 C ATOM 0 H VAL A 16 1.320 -0.433 12.923 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.816 0.704 14.418 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.666 -1.148 15.885 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.716 -3.103 14.330 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.599 -1.698 13.687 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.023 -2.090 13.067 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.150 -2.832 15.856 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.059 -1.805 14.722 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.711 -1.222 16.367 1.00 0.00 H new ATOM 285 N PHE A 17 2.293 1.099 15.572 1.00 0.00 N ATOM 286 CA PHE A 17 3.146 1.862 16.513 1.00 0.00 C ATOM 287 C PHE A 17 3.034 3.381 16.246 1.00 0.00 C ATOM 288 O PHE A 17 3.184 4.197 17.167 1.00 0.00 O ATOM 289 CB PHE A 17 4.627 1.366 16.465 1.00 0.00 C ATOM 290 CG PHE A 17 4.901 0.098 17.296 1.00 0.00 C ATOM 291 CD1 PHE A 17 5.073 0.183 18.678 1.00 0.00 C ATOM 292 CD2 PHE A 17 4.981 -1.165 16.714 1.00 0.00 C ATOM 293 CE1 PHE A 17 5.317 -0.945 19.440 1.00 0.00 C ATOM 294 CE2 PHE A 17 5.223 -2.294 17.479 1.00 0.00 C ATOM 295 CZ PHE A 17 5.391 -2.181 18.839 1.00 0.00 C ATOM 0 H PHE A 17 2.821 0.542 14.900 1.00 0.00 H new ATOM 0 HA PHE A 17 2.784 1.681 17.525 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.899 1.171 15.427 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.277 2.166 16.820 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.015 1.147 19.161 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.852 -1.266 15.646 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.450 -0.856 20.508 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.280 -3.264 17.007 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.581 -3.061 19.435 1.00 0.00 H new ATOM 305 N ALA A 18 2.757 3.751 14.981 1.00 0.00 N ATOM 306 CA ALA A 18 2.428 5.144 14.601 1.00 0.00 C ATOM 307 C ALA A 18 1.062 5.566 15.190 1.00 0.00 C ATOM 308 O ALA A 18 0.866 6.726 15.569 1.00 0.00 O ATOM 309 CB ALA A 18 2.424 5.289 13.074 1.00 0.00 C ATOM 0 H ALA A 18 2.754 3.100 14.196 1.00 0.00 H new ATOM 0 HA ALA A 18 3.192 5.804 15.013 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.181 6.317 12.807 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.409 5.035 12.682 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.679 4.617 12.647 1.00 0.00 H new ATOM 315 N ALA A 19 0.130 4.599 15.263 1.00 0.00 N ATOM 316 CA ALA A 19 -1.232 4.809 15.808 1.00 0.00 C ATOM 317 C ALA A 19 -1.277 4.645 17.350 1.00 0.00 C ATOM 318 O ALA A 19 -2.322 4.882 17.967 1.00 0.00 O ATOM 319 CB ALA A 19 -2.209 3.844 15.120 1.00 0.00 C ATOM 0 H ALA A 19 0.297 3.644 14.945 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.530 5.836 15.599 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.212 3.996 15.519 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.213 4.034 14.047 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.897 2.816 15.306 1.00 0.00 H new ATOM 325 N GLY A 20 -0.141 4.237 17.961 1.00 0.00 N ATOM 326 CA GLY A 20 -0.027 4.101 19.428 1.00 0.00 C ATOM 327 C GLY A 20 -0.226 2.672 19.934 1.00 0.00 C ATOM 328 O GLY A 20 -0.100 2.414 21.139 1.00 0.00 O ATOM 0 H GLY A 20 0.712 3.996 17.456 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.956 4.453 19.741 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.764 4.750 19.902 1.00 0.00 H new ATOM 332 N GLY A 21 -0.553 1.756 19.008 1.00 0.00 N ATOM 333 CA GLY A 21 -0.727 0.333 19.308 1.00 0.00 C ATOM 334 C GLY A 21 0.591 -0.450 19.368 1.00 0.00 C ATOM 335 O GLY A 21 1.683 0.130 19.324 1.00 0.00 O ATOM 0 H GLY A 21 -0.704 1.987 18.026 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.243 0.232 20.263 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.370 -0.113 18.550 1.00 0.00 H new ATOM 339 N PHE A 22 0.468 -1.783 19.443 1.00 0.00 N ATOM 340 CA PHE A 22 1.599 -2.728 19.572 1.00 0.00 C ATOM 341 C PHE A 22 1.524 -3.759 18.437 1.00 0.00 C ATOM 342 O PHE A 22 0.465 -3.943 17.838 1.00 0.00 O ATOM 343 CB PHE A 22 1.537 -3.426 20.962 1.00 0.00 C ATOM 344 CG PHE A 22 2.638 -4.458 21.232 1.00 0.00 C ATOM 345 CD1 PHE A 22 3.941 -4.052 21.525 1.00 0.00 C ATOM 346 CD2 PHE A 22 2.374 -5.831 21.185 1.00 0.00 C ATOM 347 CE1 PHE A 22 4.939 -4.981 21.762 1.00 0.00 C ATOM 348 CE2 PHE A 22 3.374 -6.758 21.423 1.00 0.00 C ATOM 349 CZ PHE A 22 4.657 -6.332 21.711 1.00 0.00 C ATOM 0 H PHE A 22 -0.439 -2.250 19.416 1.00 0.00 H new ATOM 0 HA PHE A 22 2.546 -2.194 19.498 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.583 -2.660 21.736 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.570 -3.919 21.059 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.174 -2.998 21.567 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.375 -6.173 20.960 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.941 -4.648 21.988 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.152 -7.814 21.384 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.438 -7.055 21.896 1.00 0.00 H new ATOM 359 N ALA A 23 2.660 -4.408 18.136 1.00 0.00 N ATOM 360 CA ALA A 23 2.743 -5.497 17.144 1.00 0.00 C ATOM 361 C ALA A 23 3.960 -6.370 17.413 1.00 0.00 C ATOM 362 O ALA A 23 4.920 -5.927 18.062 1.00 0.00 O ATOM 363 CB ALA A 23 2.806 -4.948 15.720 1.00 0.00 C ATOM 0 H ALA A 23 3.554 -4.192 18.576 1.00 0.00 H new ATOM 0 HA ALA A 23 1.840 -6.100 17.240 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.867 -5.776 15.013 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.910 -4.362 15.516 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.686 -4.314 15.613 1.00 0.00 H new ATOM 369 N ALA A 24 3.909 -7.604 16.886 1.00 0.00 N ATOM 370 CA ALA A 24 4.982 -8.587 17.027 1.00 0.00 C ATOM 371 C ALA A 24 4.774 -9.719 16.008 1.00 0.00 C ATOM 372 O ALA A 24 3.740 -10.390 16.029 1.00 0.00 O ATOM 373 CB ALA A 24 5.005 -9.124 18.473 1.00 0.00 C ATOM 0 H ALA A 24 3.113 -7.945 16.347 1.00 0.00 H new ATOM 0 HA ALA A 24 5.947 -8.122 16.826 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.805 -9.857 18.576 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.176 -8.299 19.165 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.049 -9.596 18.701 1.00 0.00 H new ATOM 379 N VAL A 25 5.762 -9.917 15.113 1.00 0.00 N ATOM 380 CA VAL A 25 5.727 -10.985 14.098 1.00 0.00 C ATOM 381 C VAL A 25 6.317 -12.288 14.682 1.00 0.00 C ATOM 382 O VAL A 25 7.534 -12.423 14.873 1.00 0.00 O ATOM 383 CB VAL A 25 6.438 -10.571 12.746 1.00 0.00 C ATOM 384 CG1 VAL A 25 7.848 -9.958 12.961 1.00 0.00 C ATOM 385 CG2 VAL A 25 6.475 -11.767 11.750 1.00 0.00 C ATOM 0 H VAL A 25 6.604 -9.342 15.074 1.00 0.00 H new ATOM 0 HA VAL A 25 4.683 -11.160 13.839 1.00 0.00 H new ATOM 0 HB VAL A 25 5.835 -9.778 12.305 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.282 -9.695 11.996 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.765 -9.063 13.577 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.488 -10.685 13.461 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.968 -11.458 10.828 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.026 -12.595 12.196 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.457 -12.086 11.527 1.00 0.00 H new ATOM 395 N GLU A 26 5.412 -13.213 15.008 1.00 0.00 N ATOM 396 CA GLU A 26 5.736 -14.514 15.597 1.00 0.00 C ATOM 397 C GLU A 26 6.271 -15.495 14.536 1.00 0.00 C ATOM 398 O GLU A 26 7.407 -15.989 14.640 1.00 0.00 O ATOM 399 CB GLU A 26 4.470 -15.084 16.298 1.00 0.00 C ATOM 400 CG GLU A 26 3.834 -14.120 17.322 1.00 0.00 C ATOM 401 CD GLU A 26 4.818 -13.658 18.415 1.00 0.00 C ATOM 402 OE1 GLU A 26 5.104 -14.449 19.340 1.00 0.00 O ATOM 403 OE2 GLU A 26 5.324 -12.510 18.347 1.00 0.00 O ATOM 0 H GLU A 26 4.411 -13.075 14.867 1.00 0.00 H new ATOM 0 HA GLU A 26 6.528 -14.382 16.334 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.728 -15.334 15.539 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.734 -16.013 16.804 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.448 -13.246 16.797 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.982 -14.611 17.793 1.00 0.00 H new ATOM 410 N LYS A 27 5.443 -15.776 13.514 1.00 0.00 N ATOM 411 CA LYS A 27 5.784 -16.746 12.459 1.00 0.00 C ATOM 412 C LYS A 27 6.273 -16.018 11.205 1.00 0.00 C ATOM 413 O LYS A 27 5.807 -14.917 10.889 1.00 0.00 O ATOM 414 CB LYS A 27 4.563 -17.647 12.136 1.00 0.00 C ATOM 415 CG LYS A 27 4.900 -18.921 11.326 1.00 0.00 C ATOM 416 CD LYS A 27 3.682 -19.855 11.135 1.00 0.00 C ATOM 417 CE LYS A 27 4.063 -21.234 10.558 1.00 0.00 C ATOM 418 NZ LYS A 27 4.776 -21.138 9.254 1.00 0.00 N ATOM 0 H LYS A 27 4.528 -15.342 13.397 1.00 0.00 H new ATOM 0 HA LYS A 27 6.591 -17.385 12.819 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.088 -17.942 13.072 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.832 -17.061 11.579 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.286 -18.632 10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.694 -19.468 11.834 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.184 -19.994 12.095 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.964 -19.375 10.470 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.694 -21.760 11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.160 -21.831 10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.917 -22.092 8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.210 -20.573 8.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.700 -20.682 9.396 1.00 0.00 H new ATOM 432 N LYS A 28 7.204 -16.662 10.493 1.00 0.00 N ATOM 433 CA LYS A 28 7.819 -16.123 9.277 1.00 0.00 C ATOM 434 C LYS A 28 7.709 -17.162 8.150 1.00 0.00 C ATOM 435 O LYS A 28 8.231 -18.278 8.268 1.00 0.00 O ATOM 436 CB LYS A 28 9.296 -15.732 9.557 1.00 0.00 C ATOM 437 CG LYS A 28 10.047 -15.155 8.340 1.00 0.00 C ATOM 438 CD LYS A 28 11.401 -14.506 8.711 1.00 0.00 C ATOM 439 CE LYS A 28 12.095 -13.855 7.502 1.00 0.00 C ATOM 440 NZ LYS A 28 12.409 -14.835 6.433 1.00 0.00 N ATOM 0 H LYS A 28 7.556 -17.585 10.749 1.00 0.00 H new ATOM 0 HA LYS A 28 7.295 -15.220 8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.318 -14.998 10.363 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.830 -16.613 9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.220 -15.952 7.617 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.417 -14.412 7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.240 -13.753 9.482 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.058 -15.264 9.138 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.454 -13.073 7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.016 -13.373 7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.950 -14.365 5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.973 -15.613 6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.524 -15.214 6.039 1.00 0.00 H new ATOM 454 N GLY A 29 6.998 -16.788 7.078 1.00 0.00 N ATOM 455 CA GLY A 29 6.811 -17.636 5.901 1.00 0.00 C ATOM 456 C GLY A 29 7.532 -17.088 4.674 1.00 0.00 C ATOM 457 O GLY A 29 8.648 -16.577 4.800 1.00 0.00 O ATOM 0 H GLY A 29 6.535 -15.882 7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.177 -18.640 6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.746 -17.725 5.685 1.00 0.00 H new ATOM 461 N ALA A 30 6.883 -17.163 3.493 1.00 0.00 N ATOM 462 CA ALA A 30 7.484 -16.734 2.211 1.00 0.00 C ATOM 463 C ALA A 30 7.493 -15.204 2.085 1.00 0.00 C ATOM 464 O ALA A 30 6.562 -14.532 2.540 1.00 0.00 O ATOM 465 CB ALA A 30 6.752 -17.380 1.019 1.00 0.00 C ATOM 0 H ALA A 30 5.932 -17.521 3.400 1.00 0.00 H new ATOM 0 HA ALA A 30 8.520 -17.074 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.212 -17.050 0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.822 -18.465 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.703 -17.083 1.032 1.00 0.00 H new ATOM 471 N GLU A 31 8.552 -14.667 1.448 1.00 0.00 N ATOM 472 CA GLU A 31 8.750 -13.218 1.314 1.00 0.00 C ATOM 473 C GLU A 31 7.686 -12.588 0.403 1.00 0.00 C ATOM 474 O GLU A 31 6.900 -11.771 0.850 1.00 0.00 O ATOM 475 CB GLU A 31 10.162 -12.900 0.770 1.00 0.00 C ATOM 476 CG GLU A 31 11.322 -13.281 1.711 1.00 0.00 C ATOM 477 CD GLU A 31 12.717 -12.938 1.156 1.00 0.00 C ATOM 478 OE1 GLU A 31 12.852 -11.966 0.374 1.00 0.00 O ATOM 479 OE2 GLU A 31 13.689 -13.645 1.492 1.00 0.00 O ATOM 0 H GLU A 31 9.288 -15.225 1.016 1.00 0.00 H new ATOM 0 HA GLU A 31 8.650 -12.786 2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.296 -13.422 -0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.222 -11.833 0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.186 -12.770 2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.276 -14.351 1.913 1.00 0.00 H new ATOM 486 N ALA A 32 7.665 -12.985 -0.875 1.00 0.00 N ATOM 487 CA ALA A 32 6.794 -12.359 -1.892 1.00 0.00 C ATOM 488 C ALA A 32 5.447 -13.095 -2.028 1.00 0.00 C ATOM 489 O ALA A 32 4.415 -12.469 -2.281 1.00 0.00 O ATOM 490 CB ALA A 32 7.526 -12.300 -3.239 1.00 0.00 C ATOM 0 H ALA A 32 8.244 -13.743 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 32 6.568 -11.344 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.879 -11.838 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.437 -11.710 -3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.783 -13.310 -3.558 1.00 0.00 H new ATOM 496 N ALA A 33 5.462 -14.428 -1.852 1.00 0.00 N ATOM 497 CA ALA A 33 4.274 -15.292 -2.074 1.00 0.00 C ATOM 498 C ALA A 33 3.722 -15.854 -0.745 1.00 0.00 C ATOM 499 O ALA A 33 3.079 -16.912 -0.729 1.00 0.00 O ATOM 500 CB ALA A 33 4.641 -16.425 -3.058 1.00 0.00 C ATOM 0 H ALA A 33 6.291 -14.941 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 33 3.478 -14.688 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.771 -17.060 -3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.960 -15.994 -4.007 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.452 -17.022 -2.640 1.00 0.00 H new ATOM 506 N GLY A 34 3.938 -15.120 0.357 1.00 0.00 N ATOM 507 CA GLY A 34 3.508 -15.567 1.688 1.00 0.00 C ATOM 508 C GLY A 34 2.091 -15.132 2.033 1.00 0.00 C ATOM 509 O GLY A 34 1.663 -14.031 1.660 1.00 0.00 O ATOM 0 H GLY A 34 4.408 -14.215 0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.571 -16.654 1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.195 -15.174 2.437 1.00 0.00 H new ATOM 513 N ALA A 35 1.345 -16.012 2.717 1.00 0.00 N ATOM 514 CA ALA A 35 0.061 -15.651 3.341 1.00 0.00 C ATOM 515 C ALA A 35 0.353 -14.857 4.629 1.00 0.00 C ATOM 516 O ALA A 35 1.442 -14.975 5.187 1.00 0.00 O ATOM 517 CB ALA A 35 -0.774 -16.915 3.623 1.00 0.00 C ATOM 0 H ALA A 35 1.611 -16.987 2.853 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.527 -15.028 2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.720 -16.631 4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.969 -17.438 2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.224 -17.571 4.298 1.00 0.00 H new ATOM 523 N ILE A 36 -0.599 -14.039 5.098 1.00 0.00 N ATOM 524 CA ILE A 36 -0.383 -13.142 6.258 1.00 0.00 C ATOM 525 C ILE A 36 -1.632 -13.190 7.140 1.00 0.00 C ATOM 526 O ILE A 36 -2.680 -12.647 6.769 1.00 0.00 O ATOM 527 CB ILE A 36 -0.102 -11.636 5.851 1.00 0.00 C ATOM 528 CG1 ILE A 36 1.034 -11.488 4.789 1.00 0.00 C ATOM 529 CG2 ILE A 36 0.217 -10.775 7.105 1.00 0.00 C ATOM 530 CD1 ILE A 36 2.399 -11.934 5.265 1.00 0.00 C ATOM 0 H ILE A 36 -1.533 -13.975 4.694 1.00 0.00 H new ATOM 0 HA ILE A 36 0.505 -13.497 6.782 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.018 -11.271 5.386 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.765 -12.066 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.093 -10.444 4.482 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.406 -9.746 6.801 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.631 -10.801 7.790 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.100 -11.174 7.605 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.126 -11.796 4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.695 -11.340 6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.361 -12.987 5.544 1.00 0.00 H new ATOM 542 N PHE A 37 -1.527 -13.876 8.282 1.00 0.00 N ATOM 543 CA PHE A 37 -2.601 -13.981 9.264 1.00 0.00 C ATOM 544 C PHE A 37 -2.215 -13.173 10.508 1.00 0.00 C ATOM 545 O PHE A 37 -1.279 -13.518 11.234 1.00 0.00 O ATOM 546 CB PHE A 37 -2.869 -15.471 9.597 1.00 0.00 C ATOM 547 CG PHE A 37 -3.526 -16.249 8.457 1.00 0.00 C ATOM 548 CD1 PHE A 37 -2.787 -16.663 7.349 1.00 0.00 C ATOM 549 CD2 PHE A 37 -4.886 -16.555 8.487 1.00 0.00 C ATOM 550 CE1 PHE A 37 -3.383 -17.353 6.315 1.00 0.00 C ATOM 551 CE2 PHE A 37 -5.478 -17.246 7.452 1.00 0.00 C ATOM 552 CZ PHE A 37 -4.729 -17.645 6.368 1.00 0.00 C ATOM 0 H PHE A 37 -0.681 -14.379 8.550 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.527 -13.570 8.862 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.925 -15.951 9.856 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.508 -15.528 10.478 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.731 -16.440 7.300 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.483 -16.246 9.332 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.796 -17.665 5.464 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.533 -17.475 7.491 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.196 -18.187 5.559 1.00 0.00 H new ATOM 562 N VAL A 38 -2.954 -12.086 10.725 1.00 0.00 N ATOM 563 CA VAL A 38 -2.723 -11.123 11.805 1.00 0.00 C ATOM 564 C VAL A 38 -3.877 -11.228 12.797 1.00 0.00 C ATOM 565 O VAL A 38 -5.003 -11.516 12.398 1.00 0.00 O ATOM 566 CB VAL A 38 -2.637 -9.657 11.221 1.00 0.00 C ATOM 567 CG1 VAL A 38 -2.391 -8.597 12.319 1.00 0.00 C ATOM 568 CG2 VAL A 38 -1.548 -9.572 10.134 1.00 0.00 C ATOM 0 H VAL A 38 -3.753 -11.843 10.139 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.780 -11.344 12.305 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.606 -9.434 10.774 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.340 -7.608 11.865 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.208 -8.624 13.040 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.451 -8.811 12.828 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.503 -8.556 9.743 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.583 -9.839 10.564 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.787 -10.262 9.325 1.00 0.00 H new ATOM 578 N ARG A 39 -3.607 -11.019 14.088 1.00 0.00 N ATOM 579 CA ARG A 39 -4.663 -10.939 15.104 1.00 0.00 C ATOM 580 C ARG A 39 -4.650 -9.533 15.725 1.00 0.00 C ATOM 581 O ARG A 39 -3.596 -9.049 16.131 1.00 0.00 O ATOM 582 CB ARG A 39 -4.508 -12.056 16.191 1.00 0.00 C ATOM 583 CG ARG A 39 -3.355 -11.858 17.196 1.00 0.00 C ATOM 584 CD ARG A 39 -3.222 -12.992 18.223 1.00 0.00 C ATOM 585 NE ARG A 39 -2.646 -14.221 17.640 1.00 0.00 N ATOM 586 CZ ARG A 39 -1.434 -14.728 17.942 1.00 0.00 C ATOM 587 NH1 ARG A 39 -0.672 -14.171 18.879 1.00 0.00 N ATOM 588 NH2 ARG A 39 -1.006 -15.809 17.322 1.00 0.00 N ATOM 0 H ARG A 39 -2.663 -10.902 14.457 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.629 -11.111 14.630 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.442 -12.127 16.748 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.365 -13.011 15.686 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.418 -11.768 16.646 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.506 -10.917 17.726 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.595 -12.657 19.049 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.204 -13.217 18.639 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.209 -14.725 16.955 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.002 -13.347 19.382 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.243 -14.568 19.095 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.591 -16.258 16.617 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.090 -16.197 17.547 1.00 0.00 H new ATOM 602 N GLN A 40 -5.803 -8.848 15.709 1.00 0.00 N ATOM 603 CA GLN A 40 -6.023 -7.626 16.505 1.00 0.00 C ATOM 604 C GLN A 40 -6.439 -8.030 17.919 1.00 0.00 C ATOM 605 O GLN A 40 -7.170 -9.000 18.097 1.00 0.00 O ATOM 606 CB GLN A 40 -7.093 -6.688 15.850 1.00 0.00 C ATOM 607 CG GLN A 40 -7.995 -5.898 16.832 1.00 0.00 C ATOM 608 CD GLN A 40 -8.857 -4.831 16.163 1.00 0.00 C ATOM 609 OE1 GLN A 40 -8.449 -3.581 16.285 1.00 0.00 O flip ATOM 610 NE2 GLN A 40 -9.923 -5.122 15.627 1.00 0.00 N flip ATOM 0 H GLN A 40 -6.608 -9.122 15.147 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.094 -7.057 16.543 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.577 -5.975 15.207 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.732 -7.293 15.207 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.645 -6.599 17.356 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.366 -5.423 17.585 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.205 -6.099 15.551 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.526 -4.387 15.258 1.00 0.00 H new ATOM 619 N ARG A 41 -5.940 -7.286 18.902 1.00 0.00 N ATOM 620 CA ARG A 41 -6.386 -7.369 20.285 1.00 0.00 C ATOM 621 C ARG A 41 -6.915 -5.994 20.698 1.00 0.00 C ATOM 622 O ARG A 41 -6.159 -5.020 20.719 1.00 0.00 O ATOM 623 CB ARG A 41 -5.213 -7.812 21.181 1.00 0.00 C ATOM 624 CG ARG A 41 -5.546 -7.871 22.692 1.00 0.00 C ATOM 625 CD ARG A 41 -4.466 -8.588 23.519 1.00 0.00 C ATOM 626 NE ARG A 41 -4.453 -10.037 23.255 1.00 0.00 N ATOM 627 CZ ARG A 41 -3.812 -10.945 23.998 1.00 0.00 C ATOM 628 NH1 ARG A 41 -2.964 -10.571 24.949 1.00 0.00 N ATOM 629 NH2 ARG A 41 -4.009 -12.231 23.772 1.00 0.00 N ATOM 0 H ARG A 41 -5.202 -6.598 18.755 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.182 -8.106 20.394 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.877 -8.797 20.857 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.379 -7.126 21.032 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.671 -6.857 23.070 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.499 -8.382 22.828 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.488 -8.166 23.285 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.643 -8.413 24.580 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.972 -10.373 22.444 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.795 -9.580 25.120 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.482 -11.275 25.508 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.647 -12.527 23.034 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.523 -12.928 24.336 1.00 0.00 H new ATOM 643 N LEU A 42 -8.223 -5.917 20.963 1.00 0.00 N ATOM 644 CA LEU A 42 -8.860 -4.700 21.475 1.00 0.00 C ATOM 645 C LEU A 42 -8.410 -4.439 22.923 1.00 0.00 C ATOM 646 O LEU A 42 -8.143 -5.378 23.689 1.00 0.00 O ATOM 647 CB LEU A 42 -10.420 -4.793 21.417 1.00 0.00 C ATOM 648 CG LEU A 42 -11.090 -4.805 20.002 1.00 0.00 C ATOM 649 CD1 LEU A 42 -10.574 -3.663 19.120 1.00 0.00 C ATOM 650 CD2 LEU A 42 -10.947 -6.163 19.303 1.00 0.00 C ATOM 0 H LEU A 42 -8.869 -6.695 20.829 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.549 -3.872 20.837 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.723 -5.700 21.941 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.828 -3.951 21.976 1.00 0.00 H new ATOM 0 HG LEU A 42 -12.156 -4.641 20.160 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.063 -3.706 18.147 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.795 -2.708 19.596 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.496 -3.762 18.990 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.427 -6.121 18.325 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.890 -6.398 19.178 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.422 -6.935 19.908 1.00 0.00 H new ATOM 662 N ARG A 43 -8.355 -3.150 23.275 1.00 0.00 N ATOM 663 CA ARG A 43 -8.109 -2.674 24.655 1.00 0.00 C ATOM 664 C ARG A 43 -9.205 -3.170 25.630 1.00 0.00 C ATOM 665 O ARG A 43 -9.003 -3.179 26.847 1.00 0.00 O ATOM 666 CB ARG A 43 -8.017 -1.123 24.655 1.00 0.00 C ATOM 667 CG ARG A 43 -9.181 -0.423 23.923 1.00 0.00 C ATOM 668 CD ARG A 43 -9.066 1.106 23.895 1.00 0.00 C ATOM 669 NE ARG A 43 -10.076 1.701 22.998 1.00 0.00 N ATOM 670 CZ ARG A 43 -10.359 3.004 22.903 1.00 0.00 C ATOM 671 NH1 ARG A 43 -9.819 3.890 23.731 1.00 0.00 N ATOM 672 NH2 ARG A 43 -11.204 3.420 21.977 1.00 0.00 N ATOM 0 H ARG A 43 -8.481 -2.391 22.605 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.164 -3.088 25.006 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.987 -0.772 25.686 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.078 -0.825 24.189 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.228 -0.793 22.899 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.119 -0.698 24.405 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.193 1.501 24.903 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.068 1.392 23.564 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.603 1.064 22.400 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.174 3.581 24.458 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.049 4.879 23.640 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.635 2.749 21.341 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.426 4.412 21.898 1.00 0.00 H new ATOM 686 N ASP A 44 -10.369 -3.565 25.067 1.00 0.00 N ATOM 687 CA ASP A 44 -11.438 -4.247 25.813 1.00 0.00 C ATOM 688 C ASP A 44 -10.981 -5.657 26.238 1.00 0.00 C ATOM 689 O ASP A 44 -11.070 -6.021 27.415 1.00 0.00 O ATOM 690 CB ASP A 44 -12.720 -4.335 24.951 1.00 0.00 C ATOM 691 CG ASP A 44 -13.870 -5.082 25.659 1.00 0.00 C ATOM 692 OD1 ASP A 44 -14.494 -4.496 26.572 1.00 0.00 O ATOM 693 OD2 ASP A 44 -14.161 -6.245 25.304 1.00 0.00 O ATOM 0 H ASP A 44 -10.589 -3.418 24.082 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.659 -3.669 26.710 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.050 -3.328 24.696 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.488 -4.841 24.014 1.00 0.00 H new ATOM 698 N GLY A 45 -10.488 -6.434 25.259 1.00 0.00 N ATOM 699 CA GLY A 45 -10.023 -7.805 25.499 1.00 0.00 C ATOM 700 C GLY A 45 -10.387 -8.764 24.379 1.00 0.00 C ATOM 701 O GLY A 45 -9.847 -9.871 24.324 1.00 0.00 O ATOM 0 H GLY A 45 -10.402 -6.131 24.289 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.940 -7.798 25.625 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.450 -8.169 26.433 1.00 0.00 H new ATOM 705 N ARG A 46 -11.305 -8.347 23.482 1.00 0.00 N ATOM 706 CA ARG A 46 -11.729 -9.176 22.325 1.00 0.00 C ATOM 707 C ARG A 46 -10.605 -9.238 21.285 1.00 0.00 C ATOM 708 O ARG A 46 -9.689 -8.405 21.309 1.00 0.00 O ATOM 709 CB ARG A 46 -13.022 -8.609 21.668 1.00 0.00 C ATOM 710 CG ARG A 46 -14.131 -8.222 22.663 1.00 0.00 C ATOM 711 CD ARG A 46 -14.527 -9.379 23.591 1.00 0.00 C ATOM 712 NE ARG A 46 -15.581 -8.983 24.548 1.00 0.00 N ATOM 713 CZ ARG A 46 -16.376 -9.837 25.219 1.00 0.00 C ATOM 714 NH1 ARG A 46 -16.266 -11.153 25.051 1.00 0.00 N ATOM 715 NH2 ARG A 46 -17.287 -9.368 26.058 1.00 0.00 N ATOM 0 H ARG A 46 -11.770 -7.440 23.534 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.944 -10.180 22.691 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.759 -7.731 21.078 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.417 -9.352 20.975 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.794 -7.378 23.265 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -15.009 -7.889 22.110 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.877 -10.220 22.993 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.649 -9.721 24.139 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.717 -7.986 24.713 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.571 -11.528 24.406 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.877 -11.786 25.568 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.385 -8.362 26.194 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.891 -10.013 26.568 1.00 0.00 H new ATOM 729 N GLU A 47 -10.685 -10.207 20.358 1.00 0.00 N ATOM 730 CA GLU A 47 -9.664 -10.400 19.310 1.00 0.00 C ATOM 731 C GLU A 47 -10.311 -10.741 17.961 1.00 0.00 C ATOM 732 O GLU A 47 -11.444 -11.223 17.902 1.00 0.00 O ATOM 733 CB GLU A 47 -8.611 -11.481 19.721 1.00 0.00 C ATOM 734 CG GLU A 47 -7.764 -11.097 20.959 1.00 0.00 C ATOM 735 CD GLU A 47 -6.501 -11.953 21.158 1.00 0.00 C ATOM 736 OE1 GLU A 47 -5.466 -11.656 20.523 1.00 0.00 O ATOM 737 OE2 GLU A 47 -6.519 -12.892 21.983 1.00 0.00 O ATOM 0 H GLU A 47 -11.454 -10.876 20.312 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.133 -9.455 19.197 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.128 -12.419 19.924 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.943 -11.662 18.879 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.469 -10.051 20.871 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.387 -11.179 21.850 1.00 0.00 H new ATOM 744 N ASN A 48 -9.572 -10.449 16.877 1.00 0.00 N ATOM 745 CA ASN A 48 -10.017 -10.659 15.484 1.00 0.00 C ATOM 746 C ASN A 48 -8.864 -11.288 14.688 1.00 0.00 C ATOM 747 O ASN A 48 -7.726 -10.869 14.845 1.00 0.00 O ATOM 748 CB ASN A 48 -10.404 -9.312 14.804 1.00 0.00 C ATOM 749 CG ASN A 48 -11.481 -8.498 15.525 1.00 0.00 C ATOM 750 OD1 ASN A 48 -11.074 -7.706 16.483 1.00 0.00 O flip ATOM 751 ND2 ASN A 48 -12.661 -8.579 15.232 1.00 0.00 N flip ATOM 0 H ASN A 48 -8.634 -10.054 16.943 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.892 -11.309 15.497 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.507 -8.699 14.715 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.748 -9.522 13.791 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.959 -9.203 14.482 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.351 -8.023 15.737 1.00 0.00 H new ATOM 758 N LEU A 49 -9.165 -12.270 13.827 1.00 0.00 N ATOM 759 CA LEU A 49 -8.177 -12.897 12.926 1.00 0.00 C ATOM 760 C LEU A 49 -8.344 -12.330 11.524 1.00 0.00 C ATOM 761 O LEU A 49 -9.460 -12.015 11.120 1.00 0.00 O ATOM 762 CB LEU A 49 -8.342 -14.431 12.899 1.00 0.00 C ATOM 763 CG LEU A 49 -7.248 -15.258 12.139 1.00 0.00 C ATOM 764 CD1 LEU A 49 -5.802 -14.806 12.467 1.00 0.00 C ATOM 765 CD2 LEU A 49 -7.424 -16.756 12.437 1.00 0.00 C ATOM 0 H LEU A 49 -10.104 -12.656 13.732 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.177 -12.675 13.297 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.377 -14.785 13.929 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.309 -14.659 12.451 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.392 -15.072 11.075 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.094 -15.418 11.909 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.676 -13.760 12.188 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.618 -14.922 13.535 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.661 -17.325 11.906 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.325 -16.928 13.509 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.412 -17.079 12.108 1.00 0.00 H new ATOM 777 N TYR A 50 -7.222 -12.162 10.819 1.00 0.00 N ATOM 778 CA TYR A 50 -7.165 -11.590 9.471 1.00 0.00 C ATOM 779 C TYR A 50 -6.427 -12.534 8.522 1.00 0.00 C ATOM 780 O TYR A 50 -5.721 -13.440 8.966 1.00 0.00 O ATOM 781 CB TYR A 50 -6.468 -10.205 9.517 1.00 0.00 C ATOM 782 CG TYR A 50 -7.108 -9.268 10.537 1.00 0.00 C ATOM 783 CD1 TYR A 50 -8.445 -8.910 10.420 1.00 0.00 C ATOM 784 CD2 TYR A 50 -6.403 -8.780 11.634 1.00 0.00 C ATOM 785 CE1 TYR A 50 -9.052 -8.102 11.345 1.00 0.00 C ATOM 786 CE2 TYR A 50 -7.010 -7.966 12.559 1.00 0.00 C ATOM 787 CZ TYR A 50 -8.338 -7.632 12.409 1.00 0.00 C ATOM 788 OH TYR A 50 -8.955 -6.809 13.327 1.00 0.00 O ATOM 0 H TYR A 50 -6.305 -12.427 11.179 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.181 -11.459 9.097 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.414 -10.339 9.761 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.510 -9.746 8.529 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.019 -9.277 9.582 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.364 -9.045 11.759 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -10.093 -7.838 11.233 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.448 -7.589 13.401 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.909 -7.030 13.375 1.00 0.00 H new ATOM 798 N GLY A 51 -6.628 -12.313 7.221 1.00 0.00 N ATOM 799 CA GLY A 51 -5.961 -13.066 6.161 1.00 0.00 C ATOM 800 C GLY A 51 -5.876 -12.240 4.880 1.00 0.00 C ATOM 801 O GLY A 51 -6.516 -11.185 4.799 1.00 0.00 O ATOM 0 H GLY A 51 -7.266 -11.598 6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.959 -13.348 6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.505 -13.990 5.968 1.00 0.00 H new ATOM 805 N PRO A 52 -5.086 -12.669 3.855 1.00 0.00 N ATOM 806 CA PRO A 52 -4.987 -11.933 2.576 1.00 0.00 C ATOM 807 C PRO A 52 -6.244 -12.150 1.688 1.00 0.00 C ATOM 808 O PRO A 52 -6.534 -13.275 1.276 1.00 0.00 O ATOM 809 CB PRO A 52 -3.695 -12.519 1.945 1.00 0.00 C ATOM 810 CG PRO A 52 -3.599 -13.920 2.487 1.00 0.00 C ATOM 811 CD PRO A 52 -4.227 -13.889 3.871 1.00 0.00 C ATOM 0 HA PRO A 52 -4.941 -10.851 2.696 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.752 -12.520 0.857 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.820 -11.929 2.218 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.122 -14.624 1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.560 -14.246 2.539 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.814 -14.787 4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.468 -13.832 4.652 1.00 0.00 H new ATOM 819 N ALA A 53 -7.006 -11.067 1.428 1.00 0.00 N ATOM 820 CA ALA A 53 -8.196 -11.123 0.553 1.00 0.00 C ATOM 821 C ALA A 53 -7.775 -11.003 -0.923 1.00 0.00 C ATOM 822 O ALA A 53 -6.669 -10.504 -1.205 1.00 0.00 O ATOM 823 CB ALA A 53 -9.192 -10.006 0.916 1.00 0.00 C ATOM 0 H ALA A 53 -6.818 -10.141 1.813 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.689 -12.084 0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.060 -10.065 0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.511 -10.125 1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.711 -9.036 0.794 1.00 0.00 H new ATOM 1022 N GLU A 67 -1.658 -3.349 -5.282 1.00 0.00 N ATOM 1023 CA GLU A 67 -1.731 -3.796 -3.887 1.00 0.00 C ATOM 1024 C GLU A 67 -3.079 -4.505 -3.650 1.00 0.00 C ATOM 1025 O GLU A 67 -4.105 -4.132 -4.239 1.00 0.00 O ATOM 1026 CB GLU A 67 -1.557 -2.589 -2.915 1.00 0.00 C ATOM 1027 CG GLU A 67 -1.652 -2.926 -1.410 1.00 0.00 C ATOM 1028 CD GLU A 67 -0.535 -3.864 -0.914 1.00 0.00 C ATOM 1029 OE1 GLU A 67 0.558 -3.358 -0.572 1.00 0.00 O ATOM 1030 OE2 GLU A 67 -0.741 -5.095 -0.871 1.00 0.00 O ATOM 0 HA GLU A 67 -0.921 -4.498 -3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.588 -2.129 -3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.316 -1.843 -3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.618 -2.000 -0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.618 -3.389 -1.211 1.00 0.00 H new ATOM 1037 N ARG A 68 -3.055 -5.537 -2.806 1.00 0.00 N ATOM 1038 CA ARG A 68 -4.248 -6.296 -2.422 1.00 0.00 C ATOM 1039 C ARG A 68 -4.777 -5.787 -1.072 1.00 0.00 C ATOM 1040 O ARG A 68 -4.045 -5.163 -0.287 1.00 0.00 O ATOM 1041 CB ARG A 68 -3.910 -7.810 -2.358 1.00 0.00 C ATOM 1042 CG ARG A 68 -2.888 -8.206 -1.268 1.00 0.00 C ATOM 1043 CD ARG A 68 -2.449 -9.672 -1.391 1.00 0.00 C ATOM 1044 NE ARG A 68 -3.605 -10.592 -1.419 1.00 0.00 N ATOM 1045 CZ ARG A 68 -3.694 -11.703 -2.167 1.00 0.00 C ATOM 1046 NH1 ARG A 68 -2.742 -12.022 -3.042 1.00 0.00 N ATOM 1047 NH2 ARG A 68 -4.767 -12.465 -2.073 1.00 0.00 N ATOM 0 H ARG A 68 -2.199 -5.874 -2.365 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.029 -6.153 -3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.832 -8.366 -2.189 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.523 -8.122 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.014 -7.559 -1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.326 -8.041 -0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.861 -9.800 -2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.801 -9.929 -0.553 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.400 -10.364 -0.822 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.928 -11.418 -3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.827 -12.871 -3.602 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.521 -12.208 -1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.843 -13.311 -2.638 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.055 -6.048 -0.821 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.714 -5.716 0.435 1.00 0.00 C ATOM 1063 C ARG A 69 -6.764 -6.993 1.282 1.00 0.00 C ATOM 1064 O ARG A 69 -6.595 -8.104 0.756 1.00 0.00 O ATOM 1065 CB ARG A 69 -8.124 -5.152 0.109 1.00 0.00 C ATOM 1066 CG ARG A 69 -8.847 -4.429 1.269 1.00 0.00 C ATOM 1067 CD ARG A 69 -10.052 -3.596 0.773 1.00 0.00 C ATOM 1068 NE ARG A 69 -10.826 -2.998 1.873 1.00 0.00 N ATOM 1069 CZ ARG A 69 -11.702 -1.992 1.747 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -11.841 -1.335 0.598 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -12.418 -1.631 2.792 1.00 0.00 N ATOM 0 H ARG A 69 -6.671 -6.503 -1.495 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.181 -4.954 1.003 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.032 -4.457 -0.726 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.754 -5.975 -0.229 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.190 -5.165 1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.142 -3.776 1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.694 -2.804 0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.707 -4.233 0.178 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.684 -3.381 2.808 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.274 -1.594 -0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.514 -0.572 0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.302 -2.116 3.682 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.089 -0.867 2.711 1.00 0.00 H new ATOM 1085 N PHE A 70 -6.940 -6.838 2.589 1.00 0.00 N ATOM 1086 CA PHE A 70 -7.045 -7.972 3.521 1.00 0.00 C ATOM 1087 C PHE A 70 -8.502 -8.226 3.889 1.00 0.00 C ATOM 1088 O PHE A 70 -9.391 -7.539 3.406 1.00 0.00 O ATOM 1089 CB PHE A 70 -6.144 -7.730 4.765 1.00 0.00 C ATOM 1090 CG PHE A 70 -4.712 -8.208 4.575 1.00 0.00 C ATOM 1091 CD1 PHE A 70 -3.992 -7.875 3.428 1.00 0.00 C ATOM 1092 CD2 PHE A 70 -4.106 -9.033 5.518 1.00 0.00 C ATOM 1093 CE1 PHE A 70 -2.716 -8.352 3.230 1.00 0.00 C ATOM 1094 CE2 PHE A 70 -2.831 -9.496 5.325 1.00 0.00 C ATOM 1095 CZ PHE A 70 -2.136 -9.165 4.178 1.00 0.00 C ATOM 0 H PHE A 70 -7.015 -5.926 3.040 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.681 -8.877 3.035 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.136 -6.665 4.997 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.579 -8.240 5.624 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.442 -7.234 2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.646 -9.311 6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.172 -8.090 2.335 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.367 -10.122 6.073 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.137 -9.544 4.025 1.00 0.00 H new ATOM 1105 N GLU A 71 -8.726 -9.280 4.673 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.057 -9.714 5.118 1.00 0.00 C ATOM 1107 C GLU A 71 -10.007 -10.104 6.596 1.00 0.00 C ATOM 1108 O GLU A 71 -8.931 -10.391 7.129 1.00 0.00 O ATOM 1109 CB GLU A 71 -10.538 -10.916 4.269 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.633 -12.166 4.314 1.00 0.00 C ATOM 1111 CD GLU A 71 -10.225 -13.349 3.540 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -11.329 -13.806 3.916 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -9.602 -13.835 2.571 1.00 0.00 O ATOM 0 H GLU A 71 -7.973 -9.871 5.026 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.760 -8.891 4.989 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.536 -11.199 4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.630 -10.593 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.656 -11.918 3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.474 -12.458 5.352 1.00 0.00 H new ATOM 1120 N THR A 72 -11.174 -10.108 7.250 1.00 0.00 N ATOM 1121 CA THR A 72 -11.305 -10.543 8.638 1.00 0.00 C ATOM 1122 C THR A 72 -11.836 -11.990 8.642 1.00 0.00 C ATOM 1123 O THR A 72 -12.969 -12.232 8.201 1.00 0.00 O ATOM 1124 CB THR A 72 -12.266 -9.596 9.427 1.00 0.00 C ATOM 1125 OG1 THR A 72 -11.894 -8.225 9.207 1.00 0.00 O ATOM 1126 CG2 THR A 72 -12.259 -9.874 10.935 1.00 0.00 C ATOM 0 H THR A 72 -12.053 -9.809 6.828 1.00 0.00 H new ATOM 0 HA THR A 72 -10.334 -10.504 9.132 1.00 0.00 H new ATOM 0 HB THR A 72 -13.272 -9.787 9.054 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.501 -7.638 9.703 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.943 -9.188 11.435 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.577 -10.901 11.117 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.252 -9.731 11.327 1.00 0.00 H new ATOM 1134 N ARG A 73 -10.997 -12.950 9.081 1.00 0.00 N ATOM 1135 CA ARG A 73 -11.362 -14.375 9.142 1.00 0.00 C ATOM 1136 C ARG A 73 -12.356 -14.613 10.294 1.00 0.00 C ATOM 1137 O ARG A 73 -13.422 -15.211 10.113 1.00 0.00 O ATOM 1138 CB ARG A 73 -10.082 -15.244 9.329 1.00 0.00 C ATOM 1139 CG ARG A 73 -9.040 -15.137 8.183 1.00 0.00 C ATOM 1140 CD ARG A 73 -9.637 -15.382 6.777 1.00 0.00 C ATOM 1141 NE ARG A 73 -10.293 -16.697 6.641 1.00 0.00 N ATOM 1142 CZ ARG A 73 -10.757 -17.219 5.492 1.00 0.00 C ATOM 1143 NH1 ARG A 73 -10.650 -16.566 4.339 1.00 0.00 N ATOM 1144 NH2 ARG A 73 -11.323 -18.410 5.505 1.00 0.00 N ATOM 0 H ARG A 73 -10.048 -12.757 9.402 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.842 -14.664 8.207 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.601 -14.958 10.264 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.381 -16.287 9.431 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.586 -14.147 8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.242 -15.858 8.360 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.361 -14.598 6.556 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.843 -15.301 6.034 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.403 -17.255 7.487 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.208 -15.647 4.312 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.010 -16.984 3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.405 -18.926 6.381 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.678 -18.815 4.639 1.00 0.00 H new ATOM 1158 N LEU A 74 -11.977 -14.112 11.476 1.00 0.00 N ATOM 1159 CA LEU A 74 -12.757 -14.219 12.725 1.00 0.00 C ATOM 1160 C LEU A 74 -12.855 -12.825 13.347 1.00 0.00 C ATOM 1161 O LEU A 74 -11.916 -12.043 13.223 1.00 0.00 O ATOM 1162 CB LEU A 74 -12.041 -15.197 13.696 1.00 0.00 C ATOM 1163 CG LEU A 74 -11.868 -16.660 13.173 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -10.909 -17.469 14.062 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -13.234 -17.369 13.037 1.00 0.00 C ATOM 0 H LEU A 74 -11.099 -13.608 11.598 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.758 -14.602 12.524 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -11.055 -14.794 13.928 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.601 -15.228 14.631 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.421 -16.601 12.180 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.813 -18.481 13.668 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.930 -16.989 14.072 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.303 -17.511 15.078 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.082 -18.385 12.671 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.725 -17.403 14.010 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.860 -16.820 12.334 1.00 0.00 H new ATOM 1177 N ALA A 75 -13.968 -12.511 14.027 1.00 0.00 N ATOM 1178 CA ALA A 75 -14.180 -11.176 14.612 1.00 0.00 C ATOM 1179 C ALA A 75 -14.934 -11.243 15.945 1.00 0.00 C ATOM 1180 O ALA A 75 -15.941 -11.955 16.059 1.00 0.00 O ATOM 1181 CB ALA A 75 -14.910 -10.252 13.622 1.00 0.00 C ATOM 0 H ALA A 75 -14.736 -13.163 14.186 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.195 -10.757 14.817 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.055 -9.272 14.078 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.314 -10.146 12.716 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -15.880 -10.682 13.370 1.00 0.00 H new ATOM 1187 N GLY A 76 -14.430 -10.469 16.936 1.00 0.00 N ATOM 1188 CA GLY A 76 -15.016 -10.388 18.281 1.00 0.00 C ATOM 1189 C GLY A 76 -15.052 -11.736 18.986 1.00 0.00 C ATOM 1190 O GLY A 76 -16.053 -12.108 19.604 1.00 0.00 O ATOM 0 H GLY A 76 -13.603 -9.884 16.817 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.441 -9.683 18.882 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.029 -9.993 18.209 1.00 0.00 H new ATOM 1194 N VAL A 77 -13.932 -12.453 18.880 1.00 0.00 N ATOM 1195 CA VAL A 77 -13.762 -13.820 19.395 1.00 0.00 C ATOM 1196 C VAL A 77 -12.602 -13.855 20.403 1.00 0.00 C ATOM 1197 O VAL A 77 -11.999 -12.815 20.706 1.00 0.00 O ATOM 1198 CB VAL A 77 -13.497 -14.845 18.219 1.00 0.00 C ATOM 1199 CG1 VAL A 77 -14.731 -14.967 17.292 1.00 0.00 C ATOM 1200 CG2 VAL A 77 -12.224 -14.469 17.412 1.00 0.00 C ATOM 0 H VAL A 77 -13.094 -12.093 18.422 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.684 -14.116 19.895 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.322 -15.822 18.671 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -14.518 -15.678 16.494 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -15.587 -15.316 17.870 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -14.958 -13.993 16.859 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.073 -15.194 16.613 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.346 -13.475 16.982 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.359 -14.474 18.075 1.00 0.00 H new ATOM 1210 N GLU A 78 -12.311 -15.056 20.931 1.00 0.00 N ATOM 1211 CA GLU A 78 -11.180 -15.279 21.845 1.00 0.00 C ATOM 1212 C GLU A 78 -9.952 -15.825 21.082 1.00 0.00 C ATOM 1213 O GLU A 78 -10.057 -16.253 19.915 1.00 0.00 O ATOM 1214 CB GLU A 78 -11.599 -16.227 23.005 1.00 0.00 C ATOM 1215 CG GLU A 78 -12.039 -17.638 22.572 1.00 0.00 C ATOM 1216 CD GLU A 78 -12.388 -18.543 23.770 1.00 0.00 C ATOM 1217 OE1 GLU A 78 -13.544 -18.500 24.251 1.00 0.00 O ATOM 1218 OE2 GLU A 78 -11.509 -19.290 24.250 1.00 0.00 O ATOM 0 H GLU A 78 -12.853 -15.898 20.736 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.893 -14.322 22.281 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.762 -16.321 23.696 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.417 -15.762 23.556 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.906 -17.559 21.916 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.241 -18.101 21.991 1.00 0.00 H new ATOM 1225 N GLY A 79 -8.803 -15.824 21.781 1.00 0.00 N ATOM 1226 CA GLY A 79 -7.507 -16.232 21.221 1.00 0.00 C ATOM 1227 C GLY A 79 -7.445 -17.698 20.810 1.00 0.00 C ATOM 1228 O GLY A 79 -6.640 -18.071 19.942 1.00 0.00 O ATOM 0 H GLY A 79 -8.750 -15.537 22.758 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.286 -15.612 20.352 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.727 -16.038 21.957 1.00 0.00 H new ATOM 1232 N GLU A 80 -8.285 -18.532 21.453 1.00 0.00 N ATOM 1233 CA GLU A 80 -8.399 -19.967 21.135 1.00 0.00 C ATOM 1234 C GLU A 80 -8.830 -20.157 19.671 1.00 0.00 C ATOM 1235 O GLU A 80 -8.233 -20.950 18.943 1.00 0.00 O ATOM 1236 CB GLU A 80 -9.410 -20.665 22.082 1.00 0.00 C ATOM 1237 CG GLU A 80 -9.527 -22.193 21.894 1.00 0.00 C ATOM 1238 CD GLU A 80 -8.201 -22.941 22.126 1.00 0.00 C ATOM 1239 OE1 GLU A 80 -7.769 -23.054 23.293 1.00 0.00 O ATOM 1240 OE2 GLU A 80 -7.587 -23.416 21.149 1.00 0.00 O ATOM 0 H GLU A 80 -8.903 -18.230 22.206 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.420 -20.425 21.279 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.120 -20.461 23.113 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.393 -20.219 21.933 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.279 -22.580 22.582 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.881 -22.401 20.884 1.00 0.00 H new ATOM 1247 N GLU A 81 -9.850 -19.379 19.257 1.00 0.00 N ATOM 1248 CA GLU A 81 -10.394 -19.406 17.887 1.00 0.00 C ATOM 1249 C GLU A 81 -9.328 -19.002 16.861 1.00 0.00 C ATOM 1250 O GLU A 81 -9.225 -19.611 15.780 1.00 0.00 O ATOM 1251 CB GLU A 81 -11.620 -18.461 17.791 1.00 0.00 C ATOM 1252 CG GLU A 81 -12.790 -18.847 18.714 1.00 0.00 C ATOM 1253 CD GLU A 81 -13.405 -20.213 18.373 1.00 0.00 C ATOM 1254 OE1 GLU A 81 -14.332 -20.267 17.542 1.00 0.00 O ATOM 1255 OE2 GLU A 81 -12.956 -21.242 18.922 1.00 0.00 O ATOM 0 H GLU A 81 -10.321 -18.711 19.868 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.707 -20.425 17.660 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.302 -17.447 18.032 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.974 -18.448 16.760 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.441 -18.861 19.746 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.563 -18.081 18.649 1.00 0.00 H new ATOM 1262 N ILE A 82 -8.530 -17.981 17.228 1.00 0.00 N ATOM 1263 CA ILE A 82 -7.468 -17.437 16.368 1.00 0.00 C ATOM 1264 C ILE A 82 -6.451 -18.557 16.018 1.00 0.00 C ATOM 1265 O ILE A 82 -6.252 -18.889 14.845 1.00 0.00 O ATOM 1266 CB ILE A 82 -6.724 -16.224 17.061 1.00 0.00 C ATOM 1267 CG1 ILE A 82 -7.732 -15.158 17.626 1.00 0.00 C ATOM 1268 CG2 ILE A 82 -5.714 -15.568 16.092 1.00 0.00 C ATOM 1269 CD1 ILE A 82 -8.640 -14.509 16.600 1.00 0.00 C ATOM 0 H ILE A 82 -8.606 -17.512 18.130 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.930 -17.065 15.454 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.173 -16.629 17.910 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.353 -15.636 18.384 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.163 -14.376 18.128 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.216 -14.737 16.593 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.971 -16.305 15.787 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.241 -15.198 15.212 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.294 -13.791 17.095 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -8.036 -13.994 15.853 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -9.244 -15.274 16.113 1.00 0.00 H new ATOM 1281 N ALA A 83 -5.889 -19.183 17.073 1.00 0.00 N ATOM 1282 CA ALA A 83 -4.874 -20.260 16.952 1.00 0.00 C ATOM 1283 C ALA A 83 -5.465 -21.548 16.351 1.00 0.00 C ATOM 1284 O ALA A 83 -4.751 -22.319 15.687 1.00 0.00 O ATOM 1285 CB ALA A 83 -4.253 -20.549 18.327 1.00 0.00 C ATOM 0 H ALA A 83 -6.125 -18.957 18.039 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.100 -19.911 16.268 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.509 -21.340 18.231 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.776 -19.646 18.708 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.033 -20.866 19.019 1.00 0.00 H new ATOM 1291 N ALA A 84 -6.776 -21.760 16.591 1.00 0.00 N ATOM 1292 CA ALA A 84 -7.511 -22.940 16.101 1.00 0.00 C ATOM 1293 C ALA A 84 -7.517 -23.000 14.571 1.00 0.00 C ATOM 1294 O ALA A 84 -7.492 -24.087 14.001 1.00 0.00 O ATOM 1295 CB ALA A 84 -8.951 -22.955 16.631 1.00 0.00 C ATOM 0 H ALA A 84 -7.353 -21.116 17.131 1.00 0.00 H new ATOM 0 HA ALA A 84 -6.991 -23.821 16.478 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.469 -23.837 16.253 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.937 -22.981 17.721 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.471 -22.058 16.296 1.00 0.00 H new ATOM 1301 N LEU A 85 -7.580 -21.821 13.921 1.00 0.00 N ATOM 1302 CA LEU A 85 -7.493 -21.722 12.459 1.00 0.00 C ATOM 1303 C LEU A 85 -6.029 -21.753 11.983 1.00 0.00 C ATOM 1304 O LEU A 85 -5.723 -22.369 10.960 1.00 0.00 O ATOM 1305 CB LEU A 85 -8.153 -20.439 11.917 1.00 0.00 C ATOM 1306 CG LEU A 85 -8.156 -20.347 10.345 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -9.541 -20.581 9.754 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -7.489 -19.060 9.833 1.00 0.00 C ATOM 0 H LEU A 85 -7.691 -20.923 14.392 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.031 -22.587 12.070 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.180 -20.389 12.277 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.630 -19.573 12.322 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.536 -21.166 9.981 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.490 -20.507 8.668 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.893 -21.574 10.034 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.232 -19.830 10.137 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.517 -19.044 8.743 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.024 -18.193 10.222 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.453 -19.028 10.170 1.00 0.00 H new ATOM 1320 N LEU A 86 -5.139 -21.048 12.714 1.00 0.00 N ATOM 1321 CA LEU A 86 -3.710 -20.909 12.328 1.00 0.00 C ATOM 1322 C LEU A 86 -3.031 -22.277 12.158 1.00 0.00 C ATOM 1323 O LEU A 86 -2.152 -22.432 11.305 1.00 0.00 O ATOM 1324 CB LEU A 86 -2.920 -20.046 13.352 1.00 0.00 C ATOM 1325 CG LEU A 86 -3.376 -18.563 13.486 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -2.494 -17.790 14.487 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -3.423 -17.869 12.110 1.00 0.00 C ATOM 0 H LEU A 86 -5.382 -20.563 13.578 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.697 -20.398 11.365 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.995 -20.519 14.331 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.867 -20.058 13.072 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.390 -18.562 13.886 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.840 -16.759 14.556 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.559 -18.261 15.468 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.459 -17.803 14.146 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.745 -16.835 12.235 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.431 -17.889 11.659 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.127 -18.392 11.462 1.00 0.00 H new ATOM 1339 N GLU A 87 -3.481 -23.267 12.957 1.00 0.00 N ATOM 1340 CA GLU A 87 -2.966 -24.643 12.887 1.00 0.00 C ATOM 1341 C GLU A 87 -3.460 -25.339 11.605 1.00 0.00 C ATOM 1342 O GLU A 87 -2.741 -26.155 11.010 1.00 0.00 O ATOM 1343 CB GLU A 87 -3.360 -25.459 14.150 1.00 0.00 C ATOM 1344 CG GLU A 87 -4.865 -25.829 14.263 1.00 0.00 C ATOM 1345 CD GLU A 87 -5.147 -27.335 14.159 1.00 0.00 C ATOM 1346 OE1 GLU A 87 -4.991 -28.046 15.178 1.00 0.00 O ATOM 1347 OE2 GLU A 87 -5.512 -27.816 13.065 1.00 0.00 O ATOM 0 H GLU A 87 -4.206 -23.133 13.662 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.878 -24.594 12.854 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.775 -26.379 14.164 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.077 -24.887 15.034 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.248 -25.463 15.215 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.416 -25.311 13.478 1.00 0.00 H new ATOM 1354 N ARG A 88 -4.690 -24.996 11.181 1.00 0.00 N ATOM 1355 CA ARG A 88 -5.334 -25.612 10.017 1.00 0.00 C ATOM 1356 C ARG A 88 -4.669 -25.108 8.722 1.00 0.00 C ATOM 1357 O ARG A 88 -4.361 -25.890 7.822 1.00 0.00 O ATOM 1358 CB ARG A 88 -6.850 -25.282 10.003 1.00 0.00 C ATOM 1359 CG ARG A 88 -7.602 -25.716 11.277 1.00 0.00 C ATOM 1360 CD ARG A 88 -9.078 -25.280 11.288 1.00 0.00 C ATOM 1361 NE ARG A 88 -9.696 -25.439 12.621 1.00 0.00 N ATOM 1362 CZ ARG A 88 -10.830 -24.843 13.018 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -11.527 -24.083 12.182 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -11.265 -25.008 14.256 1.00 0.00 N ATOM 0 H ARG A 88 -5.261 -24.285 11.638 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.214 -26.694 10.080 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.975 -24.208 9.869 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.308 -25.767 9.141 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.550 -26.801 11.370 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.099 -25.296 12.148 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.150 -24.237 10.978 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.635 -25.868 10.559 1.00 0.00 H new ATOM 0 HE ARG A 88 -9.224 -26.048 13.290 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.202 -23.947 11.225 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.388 -23.635 12.497 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.738 -25.588 14.909 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.127 -24.555 14.558 1.00 0.00 H new ATOM 1378 N GLU A 89 -4.432 -23.784 8.666 1.00 0.00 N ATOM 1379 CA GLU A 89 -3.893 -23.104 7.472 1.00 0.00 C ATOM 1380 C GLU A 89 -2.401 -23.401 7.282 1.00 0.00 C ATOM 1381 O GLU A 89 -1.947 -23.579 6.152 1.00 0.00 O ATOM 1382 CB GLU A 89 -4.133 -21.572 7.553 1.00 0.00 C ATOM 1383 CG GLU A 89 -5.602 -21.179 7.753 1.00 0.00 C ATOM 1384 CD GLU A 89 -6.575 -21.839 6.759 1.00 0.00 C ATOM 1385 OE1 GLU A 89 -6.581 -21.445 5.570 1.00 0.00 O ATOM 1386 OE2 GLU A 89 -7.347 -22.737 7.163 1.00 0.00 O ATOM 0 H GLU A 89 -4.609 -23.154 9.449 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.426 -23.495 6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.544 -21.166 8.375 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.765 -21.108 6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.902 -21.443 8.767 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.691 -20.096 7.666 1.00 0.00 H new ATOM 1393 N ARG A 90 -1.644 -23.438 8.398 1.00 0.00 N ATOM 1394 CA ARG A 90 -0.191 -23.769 8.363 1.00 0.00 C ATOM 1395 C ARG A 90 0.048 -25.231 7.926 1.00 0.00 C ATOM 1396 O ARG A 90 1.101 -25.556 7.353 1.00 0.00 O ATOM 1397 CB ARG A 90 0.507 -23.483 9.721 1.00 0.00 C ATOM 1398 CG ARG A 90 0.219 -24.491 10.849 1.00 0.00 C ATOM 1399 CD ARG A 90 0.854 -24.077 12.183 1.00 0.00 C ATOM 1400 NE ARG A 90 0.570 -25.058 13.251 1.00 0.00 N ATOM 1401 CZ ARG A 90 0.221 -24.757 14.509 1.00 0.00 C ATOM 1402 NH1 ARG A 90 0.028 -23.497 14.881 1.00 0.00 N ATOM 1403 NH2 ARG A 90 0.018 -25.728 15.385 1.00 0.00 N ATOM 0 H ARG A 90 -2.005 -23.245 9.332 1.00 0.00 H new ATOM 0 HA ARG A 90 0.259 -23.113 7.617 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.584 -23.451 9.555 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.207 -22.492 10.060 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.859 -24.589 10.978 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.596 -25.472 10.560 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.932 -23.978 12.058 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.476 -23.098 12.478 1.00 0.00 H new ATOM 0 HE ARG A 90 0.646 -26.046 13.010 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.145 -22.742 14.205 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.237 -23.284 15.843 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.127 -26.702 15.102 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.248 -25.503 16.344 1.00 0.00 H new ATOM 1417 N ARG A 91 -0.939 -26.102 8.231 1.00 0.00 N ATOM 1418 CA ARG A 91 -0.948 -27.520 7.814 1.00 0.00 C ATOM 1419 C ARG A 91 -0.894 -27.624 6.274 1.00 0.00 C ATOM 1420 O ARG A 91 -0.142 -28.440 5.728 1.00 0.00 O ATOM 1421 CB ARG A 91 -2.213 -28.213 8.423 1.00 0.00 C ATOM 1422 CG ARG A 91 -2.465 -29.716 8.079 1.00 0.00 C ATOM 1423 CD ARG A 91 -3.223 -29.934 6.751 1.00 0.00 C ATOM 1424 NE ARG A 91 -3.673 -31.329 6.574 1.00 0.00 N ATOM 1425 CZ ARG A 91 -4.044 -31.886 5.410 1.00 0.00 C ATOM 1426 NH1 ARG A 91 -3.896 -31.238 4.263 1.00 0.00 N ATOM 1427 NH2 ARG A 91 -4.532 -33.114 5.398 1.00 0.00 N ATOM 0 H ARG A 91 -1.758 -25.838 8.778 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.065 -28.037 8.189 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.152 -28.125 9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.089 -27.647 8.106 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.507 -30.233 8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.032 -30.174 8.889 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.087 -29.271 6.718 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.576 -29.657 5.919 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.705 -31.919 7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.495 -30.300 4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.184 -31.677 3.388 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.625 -33.634 6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.815 -33.542 4.516 1.00 0.00 H new ATOM 1441 N PHE A 92 -1.691 -26.784 5.592 1.00 0.00 N ATOM 1442 CA PHE A 92 -1.734 -26.727 4.122 1.00 0.00 C ATOM 1443 C PHE A 92 -0.521 -25.960 3.557 1.00 0.00 C ATOM 1444 O PHE A 92 0.188 -26.460 2.672 1.00 0.00 O ATOM 1445 CB PHE A 92 -3.067 -26.082 3.655 1.00 0.00 C ATOM 1446 CG PHE A 92 -4.285 -26.985 3.848 1.00 0.00 C ATOM 1447 CD1 PHE A 92 -4.673 -27.878 2.853 1.00 0.00 C ATOM 1448 CD2 PHE A 92 -5.027 -26.956 5.024 1.00 0.00 C ATOM 1449 CE1 PHE A 92 -5.762 -28.710 3.028 1.00 0.00 C ATOM 1450 CE2 PHE A 92 -6.118 -27.786 5.198 1.00 0.00 C ATOM 1451 CZ PHE A 92 -6.484 -28.664 4.200 1.00 0.00 C ATOM 0 H PHE A 92 -2.324 -26.125 6.045 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.684 -27.745 3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.223 -25.153 4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.984 -25.819 2.600 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.114 -27.921 1.930 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.746 -26.274 5.813 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.047 -29.397 2.245 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.685 -27.747 6.117 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.335 -29.314 4.337 1.00 0.00 H new ATOM 1461 N ASP A 93 -0.288 -24.749 4.085 1.00 0.00 N ATOM 1462 CA ASP A 93 0.748 -23.819 3.596 1.00 0.00 C ATOM 1463 C ASP A 93 1.441 -23.137 4.789 1.00 0.00 C ATOM 1464 O ASP A 93 0.846 -22.289 5.462 1.00 0.00 O ATOM 1465 CB ASP A 93 0.121 -22.742 2.666 1.00 0.00 C ATOM 1466 CG ASP A 93 -0.483 -23.306 1.366 1.00 0.00 C ATOM 1467 OD1 ASP A 93 0.288 -23.703 0.459 1.00 0.00 O ATOM 1468 OD2 ASP A 93 -1.727 -23.362 1.252 1.00 0.00 O ATOM 0 H ASP A 93 -0.819 -24.381 4.874 1.00 0.00 H new ATOM 0 HA ASP A 93 1.483 -24.386 3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.657 -22.212 3.215 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.886 -22.009 2.410 1.00 0.00 H new ATOM 1473 N SER A 94 2.701 -23.524 5.044 1.00 0.00 N ATOM 1474 CA SER A 94 3.540 -22.956 6.119 1.00 0.00 C ATOM 1475 C SER A 94 4.125 -21.577 5.725 1.00 0.00 C ATOM 1476 O SER A 94 4.796 -20.928 6.542 1.00 0.00 O ATOM 1477 CB SER A 94 4.669 -23.955 6.491 1.00 0.00 C ATOM 1478 OG SER A 94 5.430 -23.506 7.610 1.00 0.00 O ATOM 0 H SER A 94 3.174 -24.249 4.505 1.00 0.00 H new ATOM 0 HA SER A 94 2.908 -22.794 6.993 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.233 -24.928 6.716 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.329 -24.092 5.635 1.00 0.00 H new ATOM 0 HG SER A 94 6.129 -24.162 7.814 1.00 0.00 H new ATOM 1484 N ASP A 95 3.845 -21.112 4.485 1.00 0.00 N ATOM 1485 CA ASP A 95 4.328 -19.801 3.996 1.00 0.00 C ATOM 1486 C ASP A 95 3.589 -18.608 4.646 1.00 0.00 C ATOM 1487 O ASP A 95 3.882 -17.452 4.310 1.00 0.00 O ATOM 1488 CB ASP A 95 4.247 -19.710 2.448 1.00 0.00 C ATOM 1489 CG ASP A 95 2.827 -19.855 1.866 1.00 0.00 C ATOM 1490 OD1 ASP A 95 2.033 -18.887 1.908 1.00 0.00 O ATOM 1491 OD2 ASP A 95 2.517 -20.928 1.317 1.00 0.00 O ATOM 0 H ASP A 95 3.286 -21.627 3.805 1.00 0.00 H new ATOM 0 HA ASP A 95 5.373 -19.733 4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.658 -18.751 2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.881 -20.485 2.019 1.00 0.00 H new ATOM 1496 N LEU A 96 2.654 -18.877 5.581 1.00 0.00 N ATOM 1497 CA LEU A 96 1.943 -17.812 6.294 1.00 0.00 C ATOM 1498 C LEU A 96 2.829 -17.193 7.394 1.00 0.00 C ATOM 1499 O LEU A 96 3.715 -17.857 7.963 1.00 0.00 O ATOM 1500 CB LEU A 96 0.589 -18.287 6.901 1.00 0.00 C ATOM 1501 CG LEU A 96 0.643 -19.079 8.245 1.00 0.00 C ATOM 1502 CD1 LEU A 96 -0.764 -19.246 8.852 1.00 0.00 C ATOM 1503 CD2 LEU A 96 1.342 -20.433 8.081 1.00 0.00 C ATOM 0 H LEU A 96 2.379 -19.821 5.854 1.00 0.00 H new ATOM 0 HA LEU A 96 1.713 -17.050 5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.039 -17.409 7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.089 -18.912 6.161 1.00 0.00 H new ATOM 0 HG LEU A 96 1.240 -18.491 8.942 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.693 -19.802 9.787 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.196 -18.264 9.045 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.399 -19.791 8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.359 -20.952 9.039 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.801 -21.035 7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.364 -20.275 7.736 1.00 0.00 H new ATOM 1515 N TRP A 97 2.575 -15.914 7.659 1.00 0.00 N ATOM 1516 CA TRP A 97 3.173 -15.154 8.755 1.00 0.00 C ATOM 1517 C TRP A 97 2.095 -14.938 9.812 1.00 0.00 C ATOM 1518 O TRP A 97 0.935 -14.720 9.468 1.00 0.00 O ATOM 1519 CB TRP A 97 3.687 -13.781 8.248 1.00 0.00 C ATOM 1520 CG TRP A 97 4.787 -13.856 7.210 1.00 0.00 C ATOM 1521 CD1 TRP A 97 4.748 -14.500 6.006 1.00 0.00 C ATOM 1522 CD2 TRP A 97 6.064 -13.218 7.273 1.00 0.00 C ATOM 1523 NE1 TRP A 97 5.936 -14.344 5.352 1.00 0.00 N ATOM 1524 CE2 TRP A 97 6.757 -13.553 6.103 1.00 0.00 C ATOM 1525 CE3 TRP A 97 6.685 -12.405 8.220 1.00 0.00 C ATOM 1526 CZ2 TRP A 97 8.045 -13.108 5.853 1.00 0.00 C ATOM 1527 CZ3 TRP A 97 7.963 -11.954 7.974 1.00 0.00 C ATOM 1528 CH2 TRP A 97 8.632 -12.310 6.799 1.00 0.00 C ATOM 0 H TRP A 97 1.927 -15.360 7.099 1.00 0.00 H new ATOM 0 HA TRP A 97 4.020 -15.701 9.169 1.00 0.00 H new ATOM 0 HB2 TRP A 97 2.847 -13.228 7.827 1.00 0.00 H new ATOM 0 HB3 TRP A 97 4.051 -13.208 9.101 1.00 0.00 H new ATOM 0 HD1 TRP A 97 3.901 -15.052 5.627 1.00 0.00 H new ATOM 0 HE1 TRP A 97 6.172 -14.753 4.448 1.00 0.00 H new ATOM 0 HE3 TRP A 97 6.173 -12.133 9.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 8.566 -13.380 4.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 8.454 -11.319 8.696 1.00 0.00 H new ATOM 0 HH2 TRP A 97 9.636 -11.947 6.633 1.00 0.00 H new ATOM 1539 N VAL A 98 2.463 -15.017 11.089 1.00 0.00 N ATOM 1540 CA VAL A 98 1.546 -14.716 12.195 1.00 0.00 C ATOM 1541 C VAL A 98 2.058 -13.468 12.908 1.00 0.00 C ATOM 1542 O VAL A 98 3.168 -13.471 13.430 1.00 0.00 O ATOM 1543 CB VAL A 98 1.387 -15.913 13.201 1.00 0.00 C ATOM 1544 CG1 VAL A 98 0.443 -15.526 14.364 1.00 0.00 C ATOM 1545 CG2 VAL A 98 0.873 -17.183 12.468 1.00 0.00 C ATOM 0 H VAL A 98 3.399 -15.290 11.389 1.00 0.00 H new ATOM 0 HA VAL A 98 0.551 -14.544 11.785 1.00 0.00 H new ATOM 0 HB VAL A 98 2.367 -16.140 13.621 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.346 -16.368 15.049 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.855 -14.669 14.897 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.538 -15.268 13.966 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.770 -17.999 13.183 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.096 -16.974 12.014 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.583 -17.468 11.692 1.00 0.00 H new ATOM 1555 N VAL A 99 1.254 -12.391 12.875 1.00 0.00 N ATOM 1556 CA VAL A 99 1.608 -11.092 13.489 1.00 0.00 C ATOM 1557 C VAL A 99 0.540 -10.743 14.530 1.00 0.00 C ATOM 1558 O VAL A 99 -0.614 -10.519 14.169 1.00 0.00 O ATOM 1559 CB VAL A 99 1.700 -9.931 12.410 1.00 0.00 C ATOM 1560 CG1 VAL A 99 2.438 -8.679 12.953 1.00 0.00 C ATOM 1561 CG2 VAL A 99 2.344 -10.439 11.099 1.00 0.00 C ATOM 0 H VAL A 99 0.340 -12.393 12.423 1.00 0.00 H new ATOM 0 HA VAL A 99 2.590 -11.183 13.953 1.00 0.00 H new ATOM 0 HB VAL A 99 0.679 -9.622 12.187 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.475 -7.914 12.178 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.906 -8.291 13.821 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.453 -8.952 13.242 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.394 -9.623 10.378 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.350 -10.803 11.305 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.742 -11.249 10.688 1.00 0.00 H new ATOM 1571 N GLU A 100 0.899 -10.723 15.817 1.00 0.00 N ATOM 1572 CA GLU A 100 -0.027 -10.305 16.877 1.00 0.00 C ATOM 1573 C GLU A 100 0.092 -8.791 17.109 1.00 0.00 C ATOM 1574 O GLU A 100 1.111 -8.300 17.606 1.00 0.00 O ATOM 1575 CB GLU A 100 0.193 -11.120 18.182 1.00 0.00 C ATOM 1576 CG GLU A 100 1.639 -11.205 18.694 1.00 0.00 C ATOM 1577 CD GLU A 100 1.741 -11.969 20.022 1.00 0.00 C ATOM 1578 OE1 GLU A 100 1.638 -11.334 21.091 1.00 0.00 O ATOM 1579 OE2 GLU A 100 1.866 -13.215 20.008 1.00 0.00 O ATOM 0 H GLU A 100 1.824 -10.991 16.151 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.046 -10.517 16.555 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.423 -10.682 18.967 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.172 -12.134 18.018 1.00 0.00 H new ATOM 0 HG2 GLU A 100 2.259 -11.697 17.945 1.00 0.00 H new ATOM 0 HG3 GLU A 100 2.036 -10.198 18.825 1.00 0.00 H new ATOM 1586 N ILE A 101 -0.941 -8.052 16.680 1.00 0.00 N ATOM 1587 CA ILE A 101 -1.063 -6.606 16.918 1.00 0.00 C ATOM 1588 C ILE A 101 -2.116 -6.346 18.015 1.00 0.00 C ATOM 1589 O ILE A 101 -3.095 -7.091 18.145 1.00 0.00 O ATOM 1590 CB ILE A 101 -1.423 -5.808 15.594 1.00 0.00 C ATOM 1591 CG1 ILE A 101 -2.863 -6.122 15.076 1.00 0.00 C ATOM 1592 CG2 ILE A 101 -0.379 -6.093 14.481 1.00 0.00 C ATOM 1593 CD1 ILE A 101 -3.295 -5.315 13.865 1.00 0.00 C ATOM 0 H ILE A 101 -1.722 -8.444 16.154 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.092 -6.240 17.253 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.396 -4.749 15.850 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.922 -7.182 14.828 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.572 -5.944 15.885 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.644 -5.536 13.582 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.609 -5.783 14.821 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.368 -7.160 14.257 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.307 -5.602 13.579 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.274 -4.253 14.109 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.614 -5.510 13.036 1.00 0.00 H new ATOM 1605 N GLU A 102 -1.888 -5.319 18.838 1.00 0.00 N ATOM 1606 CA GLU A 102 -2.856 -4.870 19.838 1.00 0.00 C ATOM 1607 C GLU A 102 -3.235 -3.437 19.510 1.00 0.00 C ATOM 1608 O GLU A 102 -2.381 -2.548 19.535 1.00 0.00 O ATOM 1609 CB GLU A 102 -2.286 -4.971 21.275 1.00 0.00 C ATOM 1610 CG GLU A 102 -3.297 -4.552 22.366 1.00 0.00 C ATOM 1611 CD GLU A 102 -2.749 -4.658 23.797 1.00 0.00 C ATOM 1612 OE1 GLU A 102 -2.721 -5.776 24.359 1.00 0.00 O ATOM 1613 OE2 GLU A 102 -2.340 -3.621 24.365 1.00 0.00 O ATOM 0 H GLU A 102 -1.025 -4.776 18.828 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.735 -5.514 19.807 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.967 -5.997 21.460 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.399 -4.342 21.351 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.609 -3.524 22.182 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.187 -5.175 22.281 1.00 0.00 H new ATOM 1620 N THR A 103 -4.511 -3.219 19.189 1.00 0.00 N ATOM 1621 CA THR A 103 -5.003 -1.906 18.771 1.00 0.00 C ATOM 1622 C THR A 103 -6.526 -1.795 18.957 1.00 0.00 C ATOM 1623 O THR A 103 -7.247 -2.803 18.930 1.00 0.00 O ATOM 1624 CB THR A 103 -4.609 -1.596 17.288 1.00 0.00 C ATOM 1625 OG1 THR A 103 -5.092 -0.295 16.920 1.00 0.00 O ATOM 1626 CG2 THR A 103 -5.150 -2.650 16.303 1.00 0.00 C ATOM 0 H THR A 103 -5.229 -3.943 19.211 1.00 0.00 H new ATOM 0 HA THR A 103 -4.527 -1.163 19.411 1.00 0.00 H new ATOM 0 HB THR A 103 -3.521 -1.624 17.228 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.795 -0.386 16.243 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.849 -2.388 15.289 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.746 -3.629 16.560 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.238 -2.679 16.362 1.00 0.00 H new ATOM 1634 N ASP A 104 -6.991 -0.548 19.141 1.00 0.00 N ATOM 1635 CA ASP A 104 -8.415 -0.215 19.336 1.00 0.00 C ATOM 1636 C ASP A 104 -9.156 -0.117 17.989 1.00 0.00 C ATOM 1637 O ASP A 104 -10.320 -0.522 17.878 1.00 0.00 O ATOM 1638 CB ASP A 104 -8.545 1.119 20.121 1.00 0.00 C ATOM 1639 CG ASP A 104 -7.973 2.344 19.375 1.00 0.00 C ATOM 1640 OD1 ASP A 104 -6.733 2.448 19.257 1.00 0.00 O ATOM 1641 OD2 ASP A 104 -8.758 3.192 18.892 1.00 0.00 O ATOM 0 H ASP A 104 -6.381 0.269 19.159 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.876 -1.017 19.913 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.597 1.299 20.340 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.033 1.017 21.078 1.00 0.00 H new ATOM 1646 N GLU A 105 -8.469 0.441 16.976 1.00 0.00 N ATOM 1647 CA GLU A 105 -9.011 0.603 15.616 1.00 0.00 C ATOM 1648 C GLU A 105 -8.083 -0.099 14.614 1.00 0.00 C ATOM 1649 O GLU A 105 -6.859 0.057 14.671 1.00 0.00 O ATOM 1650 CB GLU A 105 -9.203 2.106 15.261 1.00 0.00 C ATOM 1651 CG GLU A 105 -7.930 2.970 15.343 1.00 0.00 C ATOM 1652 CD GLU A 105 -8.162 4.432 14.921 1.00 0.00 C ATOM 1653 OE1 GLU A 105 -8.328 4.698 13.708 1.00 0.00 O ATOM 1654 OE2 GLU A 105 -8.188 5.322 15.794 1.00 0.00 O ATOM 0 H GLU A 105 -7.518 0.794 17.079 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.997 0.140 15.566 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.605 2.175 14.250 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.952 2.528 15.931 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.550 2.949 16.364 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.160 2.533 14.707 1.00 0.00 H new ATOM 1661 N ILE A 106 -8.674 -0.888 13.709 1.00 0.00 N ATOM 1662 CA ILE A 106 -7.918 -1.749 12.784 1.00 0.00 C ATOM 1663 C ILE A 106 -7.685 -1.072 11.410 1.00 0.00 C ATOM 1664 O ILE A 106 -6.600 -1.200 10.839 1.00 0.00 O ATOM 1665 CB ILE A 106 -8.638 -3.143 12.603 1.00 0.00 C ATOM 1666 CG1 ILE A 106 -7.785 -4.103 11.716 1.00 0.00 C ATOM 1667 CG2 ILE A 106 -10.077 -2.981 12.049 1.00 0.00 C ATOM 1668 CD1 ILE A 106 -6.448 -4.497 12.314 1.00 0.00 C ATOM 0 H ILE A 106 -9.686 -0.950 13.595 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.938 -1.915 13.231 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.728 -3.596 13.590 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.362 -5.007 11.524 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.610 -3.626 10.752 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.537 -3.963 11.939 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.667 -2.379 12.740 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.040 -2.487 11.078 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.925 -5.164 11.629 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.846 -3.603 12.480 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.610 -5.007 13.264 1.00 0.00 H new ATOM 1680 N GLY A 107 -8.681 -0.301 10.930 1.00 0.00 N ATOM 1681 CA GLY A 107 -8.733 0.137 9.522 1.00 0.00 C ATOM 1682 C GLY A 107 -7.532 0.983 9.092 1.00 0.00 C ATOM 1683 O GLY A 107 -6.990 0.796 7.993 1.00 0.00 O ATOM 0 H GLY A 107 -9.461 0.031 11.498 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.795 -0.742 8.880 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.645 0.712 9.364 1.00 0.00 H new ATOM 1687 N THR A 108 -7.113 1.891 9.987 1.00 0.00 N ATOM 1688 CA THR A 108 -6.033 2.867 9.737 1.00 0.00 C ATOM 1689 C THR A 108 -4.651 2.194 9.553 1.00 0.00 C ATOM 1690 O THR A 108 -3.775 2.729 8.857 1.00 0.00 O ATOM 1691 CB THR A 108 -5.965 3.906 10.908 1.00 0.00 C ATOM 1692 OG1 THR A 108 -5.011 4.942 10.607 1.00 0.00 O ATOM 1693 CG2 THR A 108 -5.609 3.250 12.262 1.00 0.00 C ATOM 0 H THR A 108 -7.519 1.972 10.919 1.00 0.00 H new ATOM 0 HA THR A 108 -6.273 3.374 8.802 1.00 0.00 H new ATOM 0 HB THR A 108 -6.961 4.338 11.003 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.981 5.584 11.347 1.00 0.00 H new ATOM 0 HG21 THR A 108 -5.575 4.014 13.039 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.365 2.507 12.516 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.635 2.766 12.187 1.00 0.00 H new ATOM 1701 N LEU A 109 -4.480 1.011 10.168 1.00 0.00 N ATOM 1702 CA LEU A 109 -3.187 0.300 10.235 1.00 0.00 C ATOM 1703 C LEU A 109 -3.244 -1.073 9.529 1.00 0.00 C ATOM 1704 O LEU A 109 -2.224 -1.770 9.436 1.00 0.00 O ATOM 1705 CB LEU A 109 -2.744 0.188 11.731 1.00 0.00 C ATOM 1706 CG LEU A 109 -3.861 -0.192 12.770 1.00 0.00 C ATOM 1707 CD1 LEU A 109 -4.086 -1.714 12.861 1.00 0.00 C ATOM 1708 CD2 LEU A 109 -3.571 0.412 14.160 1.00 0.00 C ATOM 0 H LEU A 109 -5.239 0.516 10.636 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.435 0.873 9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.951 -0.557 11.796 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.311 1.142 12.030 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.789 0.245 12.401 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.867 -1.923 13.592 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.390 -2.096 11.886 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.161 -2.201 13.169 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.364 0.129 14.852 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.616 0.036 14.528 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.528 1.498 14.083 1.00 0.00 H new ATOM 1720 N LEU A 110 -4.442 -1.440 9.044 1.00 0.00 N ATOM 1721 CA LEU A 110 -4.684 -2.670 8.276 1.00 0.00 C ATOM 1722 C LEU A 110 -6.111 -2.615 7.688 1.00 0.00 C ATOM 1723 O LEU A 110 -7.106 -2.747 8.414 1.00 0.00 O ATOM 1724 CB LEU A 110 -4.493 -3.941 9.158 1.00 0.00 C ATOM 1725 CG LEU A 110 -4.729 -5.301 8.441 1.00 0.00 C ATOM 1726 CD1 LEU A 110 -3.776 -5.487 7.243 1.00 0.00 C ATOM 1727 CD2 LEU A 110 -4.647 -6.484 9.436 1.00 0.00 C ATOM 0 H LEU A 110 -5.283 -0.879 9.178 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.956 -2.735 7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.479 -3.934 9.559 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.172 -3.877 10.008 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.742 -5.288 8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.972 -6.448 6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.938 -4.686 6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.744 -5.458 7.591 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.816 -7.420 8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.660 -6.503 9.898 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.407 -6.363 10.208 1.00 0.00 H new ATOM 1739 N THR A 111 -6.189 -2.387 6.370 1.00 0.00 N ATOM 1740 CA THR A 111 -7.456 -2.241 5.644 1.00 0.00 C ATOM 1741 C THR A 111 -8.017 -3.616 5.220 1.00 0.00 C ATOM 1742 O THR A 111 -7.297 -4.455 4.662 1.00 0.00 O ATOM 1743 CB THR A 111 -7.262 -1.302 4.413 1.00 0.00 C ATOM 1744 OG1 THR A 111 -6.896 0.014 4.874 1.00 0.00 O ATOM 1745 CG2 THR A 111 -8.528 -1.209 3.543 1.00 0.00 C ATOM 0 H THR A 111 -5.367 -2.298 5.773 1.00 0.00 H new ATOM 0 HA THR A 111 -8.188 -1.786 6.311 1.00 0.00 H new ATOM 0 HB THR A 111 -6.472 -1.726 3.793 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.991 0.057 5.848 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.342 -0.544 2.700 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.789 -2.200 3.173 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.351 -0.817 4.140 1.00 0.00 H new ATOM 1753 N LEU A 112 -9.326 -3.809 5.486 1.00 0.00 N ATOM 1754 CA LEU A 112 -10.034 -5.098 5.331 1.00 0.00 C ATOM 1755 C LEU A 112 -11.295 -4.908 4.477 1.00 0.00 C ATOM 1756 O LEU A 112 -11.900 -3.838 4.517 1.00 0.00 O ATOM 1757 CB LEU A 112 -10.433 -5.622 6.729 1.00 0.00 C ATOM 1758 CG LEU A 112 -9.264 -5.694 7.759 1.00 0.00 C ATOM 1759 CD1 LEU A 112 -9.787 -5.654 9.188 1.00 0.00 C ATOM 1760 CD2 LEU A 112 -8.357 -6.918 7.517 1.00 0.00 C ATOM 0 H LEU A 112 -9.932 -3.060 5.821 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.378 -5.814 4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.215 -4.979 7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.864 -6.617 6.619 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.645 -4.810 7.610 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.949 -5.706 9.884 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.335 -4.726 9.349 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.451 -6.502 9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.556 -6.929 8.256 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.946 -7.831 7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.927 -6.860 6.517 1.00 0.00 H new ATOM 1772 N VAL A 113 -11.669 -5.942 3.705 1.00 0.00 N ATOM 1773 CA VAL A 113 -12.899 -5.952 2.883 1.00 0.00 C ATOM 1774 C VAL A 113 -14.142 -6.122 3.782 1.00 0.00 C ATOM 1775 O VAL A 113 -15.235 -5.666 3.441 1.00 0.00 O ATOM 1776 CB VAL A 113 -12.861 -7.089 1.779 1.00 0.00 C ATOM 1777 CG1 VAL A 113 -11.789 -6.797 0.704 1.00 0.00 C ATOM 1778 CG2 VAL A 113 -12.625 -8.486 2.401 1.00 0.00 C ATOM 0 H VAL A 113 -11.125 -6.802 3.631 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.957 -4.994 2.367 1.00 0.00 H new ATOM 0 HB VAL A 113 -13.840 -7.093 1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.790 -7.596 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.013 -5.849 0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.808 -6.740 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -12.606 -9.237 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.673 -8.492 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -13.430 -8.714 3.099 1.00 0.00 H new ATOM 1788 N ASP A 114 -13.934 -6.784 4.936 1.00 0.00 N ATOM 1789 CA ASP A 114 -14.962 -6.981 5.972 1.00 0.00 C ATOM 1790 C ASP A 114 -15.322 -5.635 6.630 1.00 0.00 C ATOM 1791 O ASP A 114 -16.490 -5.232 6.657 1.00 0.00 O ATOM 1792 CB ASP A 114 -14.434 -7.983 7.028 1.00 0.00 C ATOM 1793 CG ASP A 114 -15.370 -8.169 8.236 1.00 0.00 C ATOM 1794 OD1 ASP A 114 -16.360 -8.914 8.109 1.00 0.00 O ATOM 1795 OD2 ASP A 114 -15.116 -7.577 9.316 1.00 0.00 O ATOM 0 H ASP A 114 -13.035 -7.202 5.177 1.00 0.00 H new ATOM 0 HA ASP A 114 -15.866 -7.385 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -14.277 -8.950 6.550 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -13.462 -7.642 7.384 1.00 0.00 H new ATOM 1800 N GLN A 115 -14.289 -4.959 7.159 1.00 0.00 N ATOM 1801 CA GLN A 115 -14.418 -3.623 7.771 1.00 0.00 C ATOM 1802 C GLN A 115 -14.656 -2.548 6.678 1.00 0.00 C ATOM 1803 O GLN A 115 -14.263 -2.764 5.521 1.00 0.00 O ATOM 1804 CB GLN A 115 -13.147 -3.320 8.614 1.00 0.00 C ATOM 1805 CG GLN A 115 -12.980 -4.228 9.851 1.00 0.00 C ATOM 1806 CD GLN A 115 -14.045 -4.002 10.926 1.00 0.00 C ATOM 1807 OE1 GLN A 115 -15.095 -4.639 10.927 1.00 0.00 O ATOM 1808 NE2 GLN A 115 -13.786 -3.077 11.844 1.00 0.00 N ATOM 0 H GLN A 115 -13.337 -5.324 7.175 1.00 0.00 H new ATOM 0 HA GLN A 115 -15.282 -3.602 8.435 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -12.268 -3.426 7.978 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -13.180 -2.281 8.941 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.012 -5.270 9.533 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -11.995 -4.058 10.286 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -12.905 -2.564 11.817 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -14.469 -2.880 12.576 1.00 0.00 H new