USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 749 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 64 TYR OH : rot -158:sc= -2.22 USER MOD Set 1.2: A 72 MET CE :methyl -117:sc= -1.69 (180deg=-2.16!) USER MOD Set 2.1: A 50 SER OG : rot 180:sc= 0.352 USER MOD Set 2.2: A 56 LYS NZ :NH3+ 169:sc= 0.29 (180deg=-0.546) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 1.16 (180deg=1.03) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -177:sc= -3.95 (180deg=-4.08) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -146:sc= -1.72! (180deg=-4.01!) USER MOD Single : A 28 TYR OH : rot -46:sc= -0.89 USER MOD Single : A 31 TYR OH : rot 40:sc= 1.48 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= -0.0156 (180deg=-0.2) USER MOD Single : A 40 THR OG1 : rot 69:sc= 0.546 USER MOD Single : A 41 MET CE :methyl 180:sc= -2.37 (180deg=-2.37) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -0.0432 (180deg=-0.253) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0359 USER MOD Single : A 63 THR OG1 : rot -56:sc= 2.25 USER MOD Single : A 67 LYS NZ :NH3+ 154:sc= 0.56 (180deg=-0.0723) USER MOD Single : A 81 MET CE :methyl 167:sc= -0.116 (180deg=-0.488) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 85 SER OG : rot -79:sc= 1.23 USER MOD Single : A 86 CYS SG : rot 170:sc= -2.34! USER MOD Single : A 87 LYS NZ :NH3+ -137:sc= 0.208 (180deg=-1.96!) USER MOD Single : A 92 MET CE :methyl 179:sc= -0.885 (180deg=-0.888) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -81:sc= 0.987 USER MOD Single : A 98 LYS NZ :NH3+ 134:sc= -0.175 (180deg=-0.66) USER MOD ----------------------------------------------------------------- ATOM 81 N GLY A 7 15.735 -0.737 5.047 1.00 0.00 N ATOM 82 CA GLY A 7 16.076 -0.025 6.252 1.00 0.00 C ATOM 83 C GLY A 7 14.837 0.344 7.014 1.00 0.00 C ATOM 84 O GLY A 7 14.744 0.117 8.220 1.00 0.00 O ATOM 0 HA2 GLY A 7 16.723 -0.642 6.875 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.638 0.875 6.003 1.00 0.00 H new ATOM 88 N ILE A 8 13.871 0.915 6.309 1.00 0.00 N ATOM 89 CA ILE A 8 12.584 1.190 6.909 1.00 0.00 C ATOM 90 C ILE A 8 11.627 0.056 6.619 1.00 0.00 C ATOM 91 O ILE A 8 11.122 -0.090 5.502 1.00 0.00 O ATOM 92 CB ILE A 8 11.971 2.520 6.436 1.00 0.00 C ATOM 93 CG1 ILE A 8 12.844 3.672 6.909 1.00 0.00 C ATOM 94 CG2 ILE A 8 10.551 2.682 6.968 1.00 0.00 C ATOM 95 CD1 ILE A 8 14.078 3.885 6.077 1.00 0.00 C ATOM 0 H ILE A 8 13.957 1.193 5.331 1.00 0.00 H new ATOM 0 HA ILE A 8 12.750 1.279 7.983 1.00 0.00 H new ATOM 0 HB ILE A 8 11.925 2.521 5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 8 12.253 4.588 6.905 1.00 0.00 H new ATOM 0 HG13 ILE A 8 13.141 3.489 7.942 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.138 3.629 6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.931 1.862 6.606 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.567 2.671 8.058 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.647 4.724 6.478 1.00 0.00 H new ATOM 0 HD12 ILE A 8 14.693 2.985 6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.790 4.101 5.048 1.00 0.00 H new ATOM 107 N PHE A 9 11.370 -0.731 7.641 1.00 0.00 N ATOM 108 CA PHE A 9 10.556 -1.914 7.498 1.00 0.00 C ATOM 109 C PHE A 9 9.103 -1.594 7.778 1.00 0.00 C ATOM 110 O PHE A 9 8.776 -0.869 8.721 1.00 0.00 O ATOM 111 CB PHE A 9 11.065 -3.017 8.422 1.00 0.00 C ATOM 112 CG PHE A 9 12.464 -3.458 8.088 1.00 0.00 C ATOM 113 CD1 PHE A 9 12.703 -4.268 6.988 1.00 0.00 C ATOM 114 CD2 PHE A 9 13.539 -3.053 8.862 1.00 0.00 C ATOM 115 CE1 PHE A 9 13.986 -4.667 6.670 1.00 0.00 C ATOM 116 CE2 PHE A 9 14.825 -3.447 8.547 1.00 0.00 C ATOM 117 CZ PHE A 9 15.048 -4.256 7.450 1.00 0.00 C ATOM 0 H PHE A 9 11.717 -0.569 8.586 1.00 0.00 H new ATOM 0 HA PHE A 9 10.628 -2.270 6.470 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.037 -2.663 9.453 1.00 0.00 H new ATOM 0 HB3 PHE A 9 10.394 -3.874 8.361 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.876 -4.590 6.373 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.370 -2.422 9.722 1.00 0.00 H new ATOM 0 HE1 PHE A 9 14.158 -5.300 5.812 1.00 0.00 H new ATOM 0 HE2 PHE A 9 15.655 -3.123 9.158 1.00 0.00 H new ATOM 0 HZ PHE A 9 16.052 -4.567 7.203 1.00 0.00 H new ATOM 127 N VAL A 10 8.234 -2.151 6.961 1.00 0.00 N ATOM 128 CA VAL A 10 6.824 -1.858 7.031 1.00 0.00 C ATOM 129 C VAL A 10 6.088 -3.118 7.410 1.00 0.00 C ATOM 130 O VAL A 10 6.407 -4.211 6.938 1.00 0.00 O ATOM 131 CB VAL A 10 6.257 -1.349 5.695 1.00 0.00 C ATOM 132 CG1 VAL A 10 5.331 -0.165 5.909 1.00 0.00 C ATOM 133 CG2 VAL A 10 7.370 -0.996 4.724 1.00 0.00 C ATOM 0 H VAL A 10 8.488 -2.818 6.232 1.00 0.00 H new ATOM 0 HA VAL A 10 6.689 -1.070 7.772 1.00 0.00 H new ATOM 0 HB VAL A 10 5.673 -2.158 5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.945 0.174 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.500 -0.464 6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.882 0.646 6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.938 -0.639 3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.995 -0.215 5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.977 -1.880 4.529 1.00 0.00 H new ATOM 143 N LYS A 11 5.104 -2.961 8.253 1.00 0.00 N ATOM 144 CA LYS A 11 4.388 -4.090 8.789 1.00 0.00 C ATOM 145 C LYS A 11 3.022 -4.149 8.152 1.00 0.00 C ATOM 146 O LYS A 11 2.302 -3.154 8.159 1.00 0.00 O ATOM 147 CB LYS A 11 4.275 -3.987 10.313 1.00 0.00 C ATOM 148 CG LYS A 11 5.618 -3.831 11.028 1.00 0.00 C ATOM 149 CD LYS A 11 6.133 -2.397 10.992 1.00 0.00 C ATOM 150 CE LYS A 11 7.510 -2.288 11.626 1.00 0.00 C ATOM 151 NZ LYS A 11 8.095 -0.930 11.466 1.00 0.00 N ATOM 0 H LYS A 11 4.776 -2.055 8.587 1.00 0.00 H new ATOM 0 HA LYS A 11 4.932 -5.007 8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.641 -3.136 10.563 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.775 -4.879 10.691 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.514 -4.151 12.065 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.352 -4.489 10.564 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.177 -2.050 9.960 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.436 -1.745 11.518 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.440 -2.529 12.687 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.175 -3.024 11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.931 -0.838 12.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.375 -0.787 10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.389 -0.214 11.733 1.00 0.00 H new ATOM 165 N VAL A 12 2.664 -5.309 7.618 1.00 0.00 N ATOM 166 CA VAL A 12 1.466 -5.422 6.786 1.00 0.00 C ATOM 167 C VAL A 12 0.506 -6.492 7.305 1.00 0.00 C ATOM 168 O VAL A 12 0.908 -7.608 7.645 1.00 0.00 O ATOM 169 CB VAL A 12 1.846 -5.672 5.293 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.324 -5.990 5.164 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.015 -6.782 4.656 1.00 0.00 C ATOM 0 H VAL A 12 3.179 -6.181 7.742 1.00 0.00 H new ATOM 0 HA VAL A 12 0.938 -4.470 6.845 1.00 0.00 H new ATOM 0 HB VAL A 12 1.625 -4.750 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.569 -6.161 4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.911 -5.153 5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.555 -6.885 5.742 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.320 -6.915 3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.171 -7.712 5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.041 -6.513 4.693 1.00 0.00 H new ATOM 181 N SER A 13 -0.768 -6.120 7.372 1.00 0.00 N ATOM 182 CA SER A 13 -1.805 -6.968 7.942 1.00 0.00 C ATOM 183 C SER A 13 -3.017 -7.036 7.010 1.00 0.00 C ATOM 184 O SER A 13 -3.232 -6.130 6.203 1.00 0.00 O ATOM 185 CB SER A 13 -2.226 -6.403 9.299 1.00 0.00 C ATOM 186 OG SER A 13 -1.092 -6.075 10.088 1.00 0.00 O ATOM 0 H SER A 13 -1.109 -5.221 7.032 1.00 0.00 H new ATOM 0 HA SER A 13 -1.411 -7.976 8.068 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.840 -5.515 9.152 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.841 -7.133 9.826 1.00 0.00 H new ATOM 0 HG SER A 13 -1.387 -5.714 10.950 1.00 0.00 H new ATOM 192 N MET A 14 -3.796 -8.110 7.120 1.00 0.00 N ATOM 193 CA MET A 14 -4.996 -8.279 6.304 1.00 0.00 C ATOM 194 C MET A 14 -6.249 -8.235 7.175 1.00 0.00 C ATOM 195 O MET A 14 -6.218 -8.640 8.339 1.00 0.00 O ATOM 196 CB MET A 14 -4.924 -9.602 5.527 1.00 0.00 C ATOM 197 CG MET A 14 -6.199 -9.958 4.768 1.00 0.00 C ATOM 198 SD MET A 14 -6.805 -8.620 3.728 1.00 0.00 S ATOM 199 CE MET A 14 -5.386 -8.356 2.678 1.00 0.00 C ATOM 0 H MET A 14 -3.617 -8.878 7.768 1.00 0.00 H new ATOM 0 HA MET A 14 -5.050 -7.457 5.590 1.00 0.00 H new ATOM 0 HB2 MET A 14 -4.097 -9.549 4.819 1.00 0.00 H new ATOM 0 HB3 MET A 14 -4.694 -10.407 6.225 1.00 0.00 H new ATOM 0 HG2 MET A 14 -6.012 -10.835 4.148 1.00 0.00 H new ATOM 0 HG3 MET A 14 -6.974 -10.233 5.483 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.580 -7.518 2.008 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.514 -8.134 3.293 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.196 -9.254 2.090 1.00 0.00 H new ATOM 209 N ASP A 15 -7.344 -7.736 6.617 1.00 0.00 N ATOM 210 CA ASP A 15 -8.590 -7.611 7.362 1.00 0.00 C ATOM 211 C ASP A 15 -9.663 -8.499 6.747 1.00 0.00 C ATOM 212 O ASP A 15 -9.733 -8.646 5.528 1.00 0.00 O ATOM 213 CB ASP A 15 -9.071 -6.164 7.374 1.00 0.00 C ATOM 214 CG ASP A 15 -10.016 -5.889 8.527 1.00 0.00 C ATOM 215 OD1 ASP A 15 -11.212 -6.229 8.424 1.00 0.00 O ATOM 216 OD2 ASP A 15 -9.566 -5.333 9.552 1.00 0.00 O ATOM 0 H ASP A 15 -7.395 -7.411 5.651 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.403 -7.928 8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.212 -5.497 7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.573 -5.941 6.433 1.00 0.00 H new ATOM 221 N GLY A 16 -10.484 -9.100 7.595 1.00 0.00 N ATOM 222 CA GLY A 16 -11.518 -10.007 7.131 1.00 0.00 C ATOM 223 C GLY A 16 -10.985 -11.413 6.967 1.00 0.00 C ATOM 224 O GLY A 16 -11.701 -12.392 7.176 1.00 0.00 O ATOM 0 H GLY A 16 -10.453 -8.975 8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.346 -10.010 7.840 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.914 -9.653 6.179 1.00 0.00 H new ATOM 228 N ALA A 17 -9.721 -11.505 6.600 1.00 0.00 N ATOM 229 CA ALA A 17 -9.006 -12.768 6.582 1.00 0.00 C ATOM 230 C ALA A 17 -7.654 -12.586 7.250 1.00 0.00 C ATOM 231 O ALA A 17 -7.034 -11.534 7.121 1.00 0.00 O ATOM 232 CB ALA A 17 -8.835 -13.274 5.158 1.00 0.00 C ATOM 0 H ALA A 17 -9.160 -10.706 6.306 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.583 -13.512 7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.296 -14.222 5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -9.815 -13.420 4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.271 -12.544 4.578 1.00 0.00 H new ATOM 238 N PRO A 18 -7.188 -13.584 7.999 1.00 0.00 N ATOM 239 CA PRO A 18 -5.908 -13.493 8.698 1.00 0.00 C ATOM 240 C PRO A 18 -4.713 -13.690 7.767 1.00 0.00 C ATOM 241 O PRO A 18 -4.606 -14.710 7.083 1.00 0.00 O ATOM 242 CB PRO A 18 -5.994 -14.637 9.708 1.00 0.00 C ATOM 243 CG PRO A 18 -6.882 -15.644 9.060 1.00 0.00 C ATOM 244 CD PRO A 18 -7.867 -14.870 8.231 1.00 0.00 C ATOM 0 HA PRO A 18 -5.751 -12.511 9.144 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.009 -15.054 9.919 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.407 -14.297 10.658 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.304 -16.328 8.439 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.395 -16.248 9.808 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.091 -15.380 7.294 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.813 -14.735 8.755 1.00 0.00 H new ATOM 252 N TYR A 19 -3.805 -12.719 7.763 1.00 0.00 N ATOM 253 CA TYR A 19 -2.557 -12.823 7.015 1.00 0.00 C ATOM 254 C TYR A 19 -1.480 -12.003 7.691 1.00 0.00 C ATOM 255 O TYR A 19 -1.740 -10.917 8.206 1.00 0.00 O ATOM 256 CB TYR A 19 -2.708 -12.344 5.562 1.00 0.00 C ATOM 257 CG TYR A 19 -3.445 -13.295 4.642 1.00 0.00 C ATOM 258 CD1 TYR A 19 -2.769 -14.313 3.980 1.00 0.00 C ATOM 259 CD2 TYR A 19 -4.809 -13.166 4.422 1.00 0.00 C ATOM 260 CE1 TYR A 19 -3.433 -15.175 3.130 1.00 0.00 C ATOM 261 CE2 TYR A 19 -5.482 -14.023 3.572 1.00 0.00 C ATOM 262 CZ TYR A 19 -4.790 -15.026 2.928 1.00 0.00 C ATOM 263 OH TYR A 19 -5.457 -15.881 2.078 1.00 0.00 O ATOM 0 H TYR A 19 -3.912 -11.843 8.275 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.281 -13.877 6.999 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.231 -11.388 5.564 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.715 -12.163 5.151 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.707 -14.432 4.133 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.355 -12.381 4.924 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.893 -15.962 2.625 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.544 -13.907 3.413 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.406 -15.639 2.049 1.00 0.00 H new ATOM 273 N LEU A 20 -0.268 -12.520 7.677 1.00 0.00 N ATOM 274 CA LEU A 20 0.850 -11.828 8.278 1.00 0.00 C ATOM 275 C LEU A 20 2.012 -11.770 7.304 1.00 0.00 C ATOM 276 O LEU A 20 2.696 -12.767 7.066 1.00 0.00 O ATOM 277 CB LEU A 20 1.284 -12.527 9.567 1.00 0.00 C ATOM 278 CG LEU A 20 0.221 -12.604 10.668 1.00 0.00 C ATOM 279 CD1 LEU A 20 -0.609 -13.874 10.537 1.00 0.00 C ATOM 280 CD2 LEU A 20 0.873 -12.520 12.040 1.00 0.00 C ATOM 0 H LEU A 20 -0.034 -13.419 7.255 1.00 0.00 H new ATOM 0 HA LEU A 20 0.537 -10.812 8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.601 -13.541 9.321 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.156 -12.008 9.965 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.452 -11.754 10.555 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.356 -13.904 11.330 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.108 -13.884 9.568 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.042 -14.744 10.619 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.105 -12.576 12.812 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.571 -13.348 12.162 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.410 -11.576 12.130 1.00 0.00 H new ATOM 292 N ARG A 21 2.216 -10.599 6.729 1.00 0.00 N ATOM 293 CA ARG A 21 3.328 -10.360 5.823 1.00 0.00 C ATOM 294 C ARG A 21 4.113 -9.148 6.299 1.00 0.00 C ATOM 295 O ARG A 21 3.630 -8.387 7.136 1.00 0.00 O ATOM 296 CB ARG A 21 2.833 -10.155 4.385 1.00 0.00 C ATOM 297 CG ARG A 21 2.823 -11.427 3.539 1.00 0.00 C ATOM 298 CD ARG A 21 1.891 -12.486 4.100 1.00 0.00 C ATOM 299 NE ARG A 21 1.953 -13.733 3.341 1.00 0.00 N ATOM 300 CZ ARG A 21 2.223 -14.924 3.878 1.00 0.00 C ATOM 301 NH1 ARG A 21 2.538 -15.030 5.164 1.00 0.00 N ATOM 302 NH2 ARG A 21 2.196 -16.010 3.121 1.00 0.00 N ATOM 0 H ARG A 21 1.617 -9.787 6.876 1.00 0.00 H new ATOM 0 HA ARG A 21 3.979 -11.234 5.824 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.824 -9.744 4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.465 -9.413 3.897 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.519 -11.181 2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.834 -11.830 3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.151 -12.682 5.140 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.868 -12.109 4.093 1.00 0.00 H new ATOM 0 HE ARG A 21 1.779 -13.690 2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.575 -14.196 5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.743 -15.945 5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.969 -15.935 2.129 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.402 -16.922 3.529 1.00 0.00 H new ATOM 316 N LYS A 22 5.322 -8.979 5.796 1.00 0.00 N ATOM 317 CA LYS A 22 6.149 -7.834 6.159 1.00 0.00 C ATOM 318 C LYS A 22 7.142 -7.554 5.044 1.00 0.00 C ATOM 319 O LYS A 22 7.644 -8.483 4.411 1.00 0.00 O ATOM 320 CB LYS A 22 6.895 -8.110 7.455 1.00 0.00 C ATOM 321 CG LYS A 22 6.846 -6.991 8.474 1.00 0.00 C ATOM 322 CD LYS A 22 5.556 -7.023 9.273 1.00 0.00 C ATOM 323 CE LYS A 22 5.430 -8.259 10.151 1.00 0.00 C ATOM 324 NZ LYS A 22 4.865 -9.415 9.407 1.00 0.00 N ATOM 0 H LYS A 22 5.758 -9.620 5.133 1.00 0.00 H new ATOM 0 HA LYS A 22 5.508 -6.965 6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.483 -9.012 7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.938 -8.320 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.696 -7.076 9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.937 -6.031 7.966 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.501 -6.132 9.899 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.710 -6.984 8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.411 -8.526 10.545 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.794 -8.033 11.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.279 -9.988 10.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.280 -9.069 8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.640 -9.999 9.032 1.00 0.00 H new ATOM 338 N ILE A 23 7.419 -6.283 4.811 1.00 0.00 N ATOM 339 CA ILE A 23 8.285 -5.865 3.710 1.00 0.00 C ATOM 340 C ILE A 23 8.960 -4.535 4.003 1.00 0.00 C ATOM 341 O ILE A 23 8.690 -3.902 5.017 1.00 0.00 O ATOM 342 CB ILE A 23 7.513 -5.754 2.377 1.00 0.00 C ATOM 343 CG1 ILE A 23 6.133 -5.146 2.620 1.00 0.00 C ATOM 344 CG2 ILE A 23 7.415 -7.106 1.696 1.00 0.00 C ATOM 345 CD1 ILE A 23 5.112 -5.455 1.541 1.00 0.00 C ATOM 0 H ILE A 23 7.056 -5.513 5.372 1.00 0.00 H new ATOM 0 HA ILE A 23 9.045 -6.640 3.613 1.00 0.00 H new ATOM 0 HB ILE A 23 8.061 -5.093 1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.754 -5.507 3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.236 -4.064 2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.867 -7.003 0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.417 -7.483 1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.891 -7.805 2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.162 -4.985 1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.465 -5.069 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.975 -6.534 1.468 1.00 0.00 H new ATOM 357 N ASP A 24 9.855 -4.145 3.113 1.00 0.00 N ATOM 358 CA ASP A 24 10.607 -2.894 3.241 1.00 0.00 C ATOM 359 C ASP A 24 10.241 -1.942 2.108 1.00 0.00 C ATOM 360 O ASP A 24 9.945 -2.376 0.999 1.00 0.00 O ATOM 361 CB ASP A 24 12.112 -3.174 3.219 1.00 0.00 C ATOM 362 CG ASP A 24 12.940 -1.910 3.052 1.00 0.00 C ATOM 363 OD1 ASP A 24 13.252 -1.254 4.064 1.00 0.00 O ATOM 364 OD2 ASP A 24 13.284 -1.572 1.903 1.00 0.00 O ATOM 0 H ASP A 24 10.086 -4.682 2.277 1.00 0.00 H new ATOM 0 HA ASP A 24 10.348 -2.430 4.193 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.399 -3.672 4.145 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.338 -3.862 2.404 1.00 0.00 H new ATOM 369 N LEU A 25 10.257 -0.644 2.400 1.00 0.00 N ATOM 370 CA LEU A 25 9.824 0.371 1.438 1.00 0.00 C ATOM 371 C LEU A 25 10.828 0.549 0.297 1.00 0.00 C ATOM 372 O LEU A 25 10.447 0.717 -0.859 1.00 0.00 O ATOM 373 CB LEU A 25 9.600 1.706 2.140 1.00 0.00 C ATOM 374 CG LEU A 25 8.417 1.753 3.111 1.00 0.00 C ATOM 375 CD1 LEU A 25 8.502 2.982 3.996 1.00 0.00 C ATOM 376 CD2 LEU A 25 7.092 1.746 2.360 1.00 0.00 C ATOM 0 H LEU A 25 10.565 -0.268 3.296 1.00 0.00 H new ATOM 0 HA LEU A 25 8.886 0.023 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.506 1.965 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.455 2.475 1.381 1.00 0.00 H new ATOM 0 HG LEU A 25 8.465 0.862 3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.653 2.998 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.429 2.954 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.486 3.878 3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.269 1.780 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.040 2.616 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.017 0.837 1.763 1.00 0.00 H new ATOM 388 N ARG A 26 12.108 0.521 0.639 1.00 0.00 N ATOM 389 CA ARG A 26 13.181 0.803 -0.296 1.00 0.00 C ATOM 390 C ARG A 26 13.396 -0.284 -1.344 1.00 0.00 C ATOM 391 O ARG A 26 13.818 0.016 -2.462 1.00 0.00 O ATOM 392 CB ARG A 26 14.472 0.986 0.463 1.00 0.00 C ATOM 393 CG ARG A 26 14.638 2.336 1.117 1.00 0.00 C ATOM 394 CD ARG A 26 13.631 2.633 2.200 1.00 0.00 C ATOM 395 NE ARG A 26 13.815 3.997 2.692 1.00 0.00 N ATOM 396 CZ ARG A 26 12.887 4.703 3.329 1.00 0.00 C ATOM 397 NH1 ARG A 26 11.724 4.146 3.642 1.00 0.00 N ATOM 398 NH2 ARG A 26 13.143 5.953 3.692 1.00 0.00 N ATOM 0 H ARG A 26 12.431 0.300 1.581 1.00 0.00 H new ATOM 0 HA ARG A 26 12.885 1.708 -0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.537 0.216 1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 26 15.305 0.825 -0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.640 2.399 1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.568 3.108 0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.620 2.511 1.812 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.746 1.923 3.019 1.00 0.00 H new ATOM 0 HE ARG A 26 14.721 4.439 2.535 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.541 3.174 3.394 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.013 4.690 4.131 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.050 6.369 3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.433 6.498 4.181 1.00 0.00 H new ATOM 412 N VAL A 27 13.119 -1.533 -0.991 1.00 0.00 N ATOM 413 CA VAL A 27 13.476 -2.675 -1.844 1.00 0.00 C ATOM 414 C VAL A 27 12.774 -2.670 -3.209 1.00 0.00 C ATOM 415 O VAL A 27 13.035 -3.540 -4.040 1.00 0.00 O ATOM 416 CB VAL A 27 13.194 -4.022 -1.147 1.00 0.00 C ATOM 417 CG1 VAL A 27 14.042 -4.166 0.108 1.00 0.00 C ATOM 418 CG2 VAL A 27 11.716 -4.172 -0.821 1.00 0.00 C ATOM 0 H VAL A 27 12.649 -1.788 -0.122 1.00 0.00 H new ATOM 0 HA VAL A 27 14.546 -2.563 -2.017 1.00 0.00 H new ATOM 0 HB VAL A 27 13.466 -4.821 -1.837 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.828 -5.123 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.098 -4.122 -0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.809 -3.356 0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.547 -5.131 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.406 -3.365 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.134 -4.128 -1.742 1.00 0.00 H new ATOM 428 N TYR A 28 11.902 -1.703 -3.449 1.00 0.00 N ATOM 429 CA TYR A 28 11.186 -1.636 -4.716 1.00 0.00 C ATOM 430 C TYR A 28 11.822 -0.637 -5.670 1.00 0.00 C ATOM 431 O TYR A 28 11.729 -0.779 -6.887 1.00 0.00 O ATOM 432 CB TYR A 28 9.733 -1.252 -4.473 1.00 0.00 C ATOM 433 CG TYR A 28 9.062 -2.150 -3.476 1.00 0.00 C ATOM 434 CD1 TYR A 28 8.788 -3.471 -3.791 1.00 0.00 C ATOM 435 CD2 TYR A 28 8.714 -1.686 -2.215 1.00 0.00 C ATOM 436 CE1 TYR A 28 8.184 -4.306 -2.882 1.00 0.00 C ATOM 437 CE2 TYR A 28 8.104 -2.519 -1.300 1.00 0.00 C ATOM 438 CZ TYR A 28 7.843 -3.828 -1.640 1.00 0.00 C ATOM 439 OH TYR A 28 7.241 -4.664 -0.734 1.00 0.00 O ATOM 0 H TYR A 28 11.673 -0.959 -2.790 1.00 0.00 H new ATOM 0 HA TYR A 28 11.237 -2.623 -5.176 1.00 0.00 H new ATOM 0 HB2 TYR A 28 9.687 -0.222 -4.119 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.188 -1.290 -5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.053 -3.851 -4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.923 -0.661 -1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.978 -5.334 -3.143 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.833 -2.147 -0.323 1.00 0.00 H new ATOM 0 HH TYR A 28 6.523 -5.164 -1.176 1.00 0.00 H new ATOM 449 N GLY A 29 12.476 0.368 -5.094 1.00 0.00 N ATOM 450 CA GLY A 29 13.133 1.407 -5.871 1.00 0.00 C ATOM 451 C GLY A 29 12.199 2.167 -6.803 1.00 0.00 C ATOM 452 O GLY A 29 12.659 2.928 -7.655 1.00 0.00 O ATOM 0 H GLY A 29 12.563 0.482 -4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.603 2.115 -5.188 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.931 0.956 -6.461 1.00 0.00 H new ATOM 456 N GLY A 30 10.895 1.999 -6.622 1.00 0.00 N ATOM 457 CA GLY A 30 9.936 2.669 -7.474 1.00 0.00 C ATOM 458 C GLY A 30 8.539 2.106 -7.318 1.00 0.00 C ATOM 459 O GLY A 30 8.345 1.078 -6.661 1.00 0.00 O ATOM 0 H GLY A 30 10.485 1.409 -5.898 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.925 3.733 -7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.249 2.576 -8.514 1.00 0.00 H new ATOM 463 N TYR A 31 7.569 2.780 -7.921 1.00 0.00 N ATOM 464 CA TYR A 31 6.167 2.393 -7.813 1.00 0.00 C ATOM 465 C TYR A 31 5.853 1.097 -8.556 1.00 0.00 C ATOM 466 O TYR A 31 4.951 0.358 -8.157 1.00 0.00 O ATOM 467 CB TYR A 31 5.264 3.512 -8.322 1.00 0.00 C ATOM 468 CG TYR A 31 4.665 4.327 -7.206 1.00 0.00 C ATOM 469 CD1 TYR A 31 5.380 5.346 -6.597 1.00 0.00 C ATOM 470 CD2 TYR A 31 3.385 4.058 -6.748 1.00 0.00 C ATOM 471 CE1 TYR A 31 4.834 6.076 -5.561 1.00 0.00 C ATOM 472 CE2 TYR A 31 2.832 4.784 -5.717 1.00 0.00 C ATOM 473 CZ TYR A 31 3.559 5.791 -5.124 1.00 0.00 C ATOM 474 OH TYR A 31 3.005 6.515 -4.093 1.00 0.00 O ATOM 0 H TYR A 31 7.729 3.607 -8.496 1.00 0.00 H new ATOM 0 HA TYR A 31 5.973 2.216 -6.755 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.838 4.167 -8.977 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.463 3.082 -8.923 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.379 5.572 -6.938 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.812 3.266 -7.207 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.403 6.867 -5.095 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.831 4.564 -5.375 1.00 0.00 H new ATOM 0 HH TYR A 31 3.239 7.461 -4.195 1.00 0.00 H new ATOM 484 N SER A 32 6.589 0.823 -9.629 1.00 0.00 N ATOM 485 CA SER A 32 6.332 -0.359 -10.447 1.00 0.00 C ATOM 486 C SER A 32 6.394 -1.632 -9.610 1.00 0.00 C ATOM 487 O SER A 32 5.446 -2.421 -9.585 1.00 0.00 O ATOM 488 CB SER A 32 7.340 -0.435 -11.594 1.00 0.00 C ATOM 489 OG SER A 32 8.664 -0.234 -11.123 1.00 0.00 O ATOM 0 H SER A 32 7.365 1.400 -9.952 1.00 0.00 H new ATOM 0 HA SER A 32 5.327 -0.273 -10.859 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.268 -1.407 -12.082 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.099 0.318 -12.345 1.00 0.00 H new ATOM 0 HG SER A 32 9.290 -0.289 -11.875 1.00 0.00 H new ATOM 495 N GLU A 33 7.498 -1.813 -8.902 1.00 0.00 N ATOM 496 CA GLU A 33 7.682 -2.986 -8.075 1.00 0.00 C ATOM 497 C GLU A 33 6.818 -2.916 -6.827 1.00 0.00 C ATOM 498 O GLU A 33 6.441 -3.944 -6.273 1.00 0.00 O ATOM 499 CB GLU A 33 9.149 -3.150 -7.706 1.00 0.00 C ATOM 500 CG GLU A 33 10.012 -3.593 -8.874 1.00 0.00 C ATOM 501 CD GLU A 33 11.390 -4.040 -8.444 1.00 0.00 C ATOM 502 OE1 GLU A 33 11.523 -5.193 -7.980 1.00 0.00 O ATOM 503 OE2 GLU A 33 12.345 -3.251 -8.576 1.00 0.00 O ATOM 0 H GLU A 33 8.280 -1.158 -8.886 1.00 0.00 H new ATOM 0 HA GLU A 33 7.369 -3.859 -8.649 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.528 -2.204 -7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.235 -3.880 -6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.516 -4.410 -9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.106 -2.771 -9.583 1.00 0.00 H new ATOM 510 N LEU A 34 6.506 -1.703 -6.389 1.00 0.00 N ATOM 511 CA LEU A 34 5.606 -1.511 -5.258 1.00 0.00 C ATOM 512 C LEU A 34 4.255 -2.158 -5.546 1.00 0.00 C ATOM 513 O LEU A 34 3.779 -2.992 -4.779 1.00 0.00 O ATOM 514 CB LEU A 34 5.404 -0.020 -4.975 1.00 0.00 C ATOM 515 CG LEU A 34 4.475 0.297 -3.799 1.00 0.00 C ATOM 516 CD1 LEU A 34 5.181 0.055 -2.474 1.00 0.00 C ATOM 517 CD2 LEU A 34 3.963 1.725 -3.891 1.00 0.00 C ATOM 0 H LEU A 34 6.862 -0.839 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 34 6.055 -1.980 -4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.377 0.433 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.004 0.454 -5.872 1.00 0.00 H new ATOM 0 HG LEU A 34 3.617 -0.373 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.503 0.286 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.486 -0.990 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.061 0.694 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.305 1.931 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.806 2.416 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.410 1.854 -4.822 1.00 0.00 H new ATOM 529 N LEU A 35 3.662 -1.784 -6.674 1.00 0.00 N ATOM 530 CA LEU A 35 2.369 -2.310 -7.082 1.00 0.00 C ATOM 531 C LEU A 35 2.463 -3.799 -7.393 1.00 0.00 C ATOM 532 O LEU A 35 1.569 -4.580 -7.065 1.00 0.00 O ATOM 533 CB LEU A 35 1.878 -1.549 -8.311 1.00 0.00 C ATOM 534 CG LEU A 35 1.621 -0.053 -8.097 1.00 0.00 C ATOM 535 CD1 LEU A 35 1.267 0.621 -9.414 1.00 0.00 C ATOM 536 CD2 LEU A 35 0.514 0.163 -7.076 1.00 0.00 C ATOM 0 H LEU A 35 4.063 -1.111 -7.327 1.00 0.00 H new ATOM 0 HA LEU A 35 1.662 -2.179 -6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.614 -1.664 -9.107 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.956 -2.013 -8.660 1.00 0.00 H new ATOM 0 HG LEU A 35 2.535 0.398 -7.711 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.088 1.682 -9.243 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.091 0.501 -10.117 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.368 0.163 -9.827 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.348 1.232 -6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.405 -0.304 -7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.804 -0.283 -6.125 1.00 0.00 H new ATOM 548 N LYS A 36 3.570 -4.176 -8.010 1.00 0.00 N ATOM 549 CA LYS A 36 3.805 -5.553 -8.426 1.00 0.00 C ATOM 550 C LYS A 36 3.930 -6.463 -7.205 1.00 0.00 C ATOM 551 O LYS A 36 3.515 -7.625 -7.229 1.00 0.00 O ATOM 552 CB LYS A 36 5.077 -5.608 -9.287 1.00 0.00 C ATOM 553 CG LYS A 36 5.225 -6.862 -10.139 1.00 0.00 C ATOM 554 CD LYS A 36 5.733 -8.049 -9.337 1.00 0.00 C ATOM 555 CE LYS A 36 5.844 -9.297 -10.195 1.00 0.00 C ATOM 556 NZ LYS A 36 6.769 -9.110 -11.343 1.00 0.00 N ATOM 0 H LYS A 36 4.333 -3.538 -8.238 1.00 0.00 H new ATOM 0 HA LYS A 36 2.961 -5.907 -9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.091 -4.738 -9.943 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.945 -5.528 -8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.262 -7.112 -10.583 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.912 -6.661 -10.961 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.708 -7.811 -8.912 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.059 -8.240 -8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.193 -10.128 -9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.856 -9.569 -10.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.986 -10.034 -11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.320 -8.498 -12.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.649 -8.667 -11.011 1.00 0.00 H new ATOM 570 N ALA A 37 4.494 -5.919 -6.136 1.00 0.00 N ATOM 571 CA ALA A 37 4.683 -6.666 -4.905 1.00 0.00 C ATOM 572 C ALA A 37 3.353 -7.075 -4.299 1.00 0.00 C ATOM 573 O ALA A 37 3.205 -8.194 -3.832 1.00 0.00 O ATOM 574 CB ALA A 37 5.476 -5.848 -3.906 1.00 0.00 C ATOM 0 H ALA A 37 4.830 -4.957 -6.099 1.00 0.00 H new ATOM 0 HA ALA A 37 5.240 -7.571 -5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.609 -6.422 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.452 -5.606 -4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.939 -4.926 -3.682 1.00 0.00 H new ATOM 580 N LEU A 38 2.384 -6.170 -4.333 1.00 0.00 N ATOM 581 CA LEU A 38 1.069 -6.426 -3.745 1.00 0.00 C ATOM 582 C LEU A 38 0.413 -7.584 -4.462 1.00 0.00 C ATOM 583 O LEU A 38 -0.085 -8.520 -3.840 1.00 0.00 O ATOM 584 CB LEU A 38 0.161 -5.213 -3.878 1.00 0.00 C ATOM 585 CG LEU A 38 0.865 -3.875 -4.039 1.00 0.00 C ATOM 586 CD1 LEU A 38 -0.106 -2.852 -4.587 1.00 0.00 C ATOM 587 CD2 LEU A 38 1.452 -3.404 -2.718 1.00 0.00 C ATOM 0 H LEU A 38 2.481 -5.249 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 38 1.214 -6.652 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.493 -5.364 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.478 -5.162 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 38 1.689 -3.996 -4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.401 -1.894 -4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.476 -3.185 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.943 -2.739 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.950 -2.445 -2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.654 -3.292 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.174 -4.137 -2.359 1.00 0.00 H new ATOM 599 N GLU A 39 0.421 -7.495 -5.785 1.00 0.00 N ATOM 600 CA GLU A 39 -0.072 -8.569 -6.634 1.00 0.00 C ATOM 601 C GLU A 39 0.605 -9.883 -6.263 1.00 0.00 C ATOM 602 O GLU A 39 0.001 -10.955 -6.320 1.00 0.00 O ATOM 603 CB GLU A 39 0.207 -8.248 -8.100 1.00 0.00 C ATOM 604 CG GLU A 39 -0.213 -6.849 -8.508 1.00 0.00 C ATOM 605 CD GLU A 39 -0.009 -6.596 -9.986 1.00 0.00 C ATOM 606 OE1 GLU A 39 1.145 -6.380 -10.406 1.00 0.00 O ATOM 607 OE2 GLU A 39 -1.003 -6.622 -10.741 1.00 0.00 O ATOM 0 H GLU A 39 0.767 -6.683 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.148 -8.665 -6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.273 -8.369 -8.293 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.314 -8.972 -8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.263 -6.700 -8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.358 -6.119 -7.934 1.00 0.00 H new ATOM 614 N THR A 40 1.859 -9.776 -5.856 1.00 0.00 N ATOM 615 CA THR A 40 2.638 -10.926 -5.444 1.00 0.00 C ATOM 616 C THR A 40 2.180 -11.446 -4.080 1.00 0.00 C ATOM 617 O THR A 40 2.081 -12.655 -3.865 1.00 0.00 O ATOM 618 CB THR A 40 4.133 -10.556 -5.366 1.00 0.00 C ATOM 619 OG1 THR A 40 4.651 -10.273 -6.675 1.00 0.00 O ATOM 620 CG2 THR A 40 4.935 -11.664 -4.708 1.00 0.00 C ATOM 0 H THR A 40 2.362 -8.890 -5.803 1.00 0.00 H new ATOM 0 HA THR A 40 2.488 -11.710 -6.187 1.00 0.00 H new ATOM 0 HB THR A 40 4.226 -9.660 -4.753 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.255 -9.442 -7.011 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.986 -11.377 -4.666 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.564 -11.831 -3.697 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.832 -12.581 -5.288 1.00 0.00 H new ATOM 628 N MET A 41 1.868 -10.519 -3.181 1.00 0.00 N ATOM 629 CA MET A 41 1.658 -10.840 -1.775 1.00 0.00 C ATOM 630 C MET A 41 0.548 -11.867 -1.575 1.00 0.00 C ATOM 631 O MET A 41 0.759 -12.913 -0.962 1.00 0.00 O ATOM 632 CB MET A 41 1.294 -9.577 -0.990 1.00 0.00 C ATOM 633 CG MET A 41 2.309 -8.450 -1.096 1.00 0.00 C ATOM 634 SD MET A 41 3.947 -8.895 -0.492 1.00 0.00 S ATOM 635 CE MET A 41 3.668 -8.843 1.270 1.00 0.00 C ATOM 0 H MET A 41 1.754 -9.530 -3.405 1.00 0.00 H new ATOM 0 HA MET A 41 2.593 -11.264 -1.410 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.329 -9.213 -1.341 1.00 0.00 H new ATOM 0 HB3 MET A 41 1.172 -9.841 0.061 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.387 -8.140 -2.138 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.945 -7.590 -0.534 1.00 0.00 H new ATOM 0 HE1 MET A 41 4.591 -9.096 1.792 1.00 0.00 H new ATOM 0 HE2 MET A 41 3.351 -7.841 1.559 1.00 0.00 H new ATOM 0 HE3 MET A 41 2.892 -9.560 1.537 1.00 0.00 H new ATOM 645 N PHE A 42 -0.632 -11.563 -2.094 1.00 0.00 N ATOM 646 CA PHE A 42 -1.802 -12.411 -1.878 1.00 0.00 C ATOM 647 C PHE A 42 -2.122 -13.228 -3.118 1.00 0.00 C ATOM 648 O PHE A 42 -3.181 -13.851 -3.212 1.00 0.00 O ATOM 649 CB PHE A 42 -3.018 -11.569 -1.476 1.00 0.00 C ATOM 650 CG PHE A 42 -2.689 -10.132 -1.196 1.00 0.00 C ATOM 651 CD1 PHE A 42 -2.309 -9.722 0.074 1.00 0.00 C ATOM 652 CD2 PHE A 42 -2.753 -9.190 -2.208 1.00 0.00 C ATOM 653 CE1 PHE A 42 -2.002 -8.403 0.322 1.00 0.00 C ATOM 654 CE2 PHE A 42 -2.445 -7.874 -1.963 1.00 0.00 C ATOM 655 CZ PHE A 42 -2.071 -7.482 -0.701 1.00 0.00 C ATOM 0 H PHE A 42 -0.808 -10.738 -2.667 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.566 -13.097 -1.064 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.760 -11.614 -2.273 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.476 -12.007 -0.589 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.254 -10.444 0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.048 -9.493 -3.202 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.708 -8.091 1.314 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.497 -7.149 -2.762 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.830 -6.447 -0.509 1.00 0.00 H new ATOM 665 N LYS A 43 -1.191 -13.199 -4.067 1.00 0.00 N ATOM 666 CA LYS A 43 -1.295 -13.972 -5.308 1.00 0.00 C ATOM 667 C LYS A 43 -2.532 -13.577 -6.117 1.00 0.00 C ATOM 668 O LYS A 43 -3.341 -14.427 -6.486 1.00 0.00 O ATOM 669 CB LYS A 43 -1.324 -15.482 -5.023 1.00 0.00 C ATOM 670 CG LYS A 43 -0.146 -15.992 -4.200 1.00 0.00 C ATOM 671 CD LYS A 43 -0.531 -16.216 -2.744 1.00 0.00 C ATOM 672 CE LYS A 43 0.615 -16.820 -1.944 1.00 0.00 C ATOM 673 NZ LYS A 43 0.997 -18.168 -2.445 1.00 0.00 N ATOM 0 H LYS A 43 -0.341 -12.639 -4.001 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.408 -13.741 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.249 -15.722 -4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.347 -16.018 -5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.219 -16.926 -4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.673 -15.275 -4.254 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.827 -15.267 -2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.397 -16.876 -2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.479 -16.157 -1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.326 -16.892 -0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.604 -18.640 -1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.140 -18.737 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.515 -18.071 -3.342 1.00 0.00 H new ATOM 687 N LEU A 44 -2.671 -12.287 -6.393 1.00 0.00 N ATOM 688 CA LEU A 44 -3.802 -11.781 -7.165 1.00 0.00 C ATOM 689 C LEU A 44 -3.424 -10.471 -7.848 1.00 0.00 C ATOM 690 O LEU A 44 -2.250 -10.125 -7.907 1.00 0.00 O ATOM 691 CB LEU A 44 -5.032 -11.611 -6.265 1.00 0.00 C ATOM 692 CG LEU A 44 -4.808 -10.875 -4.943 1.00 0.00 C ATOM 693 CD1 LEU A 44 -4.862 -9.370 -5.137 1.00 0.00 C ATOM 694 CD2 LEU A 44 -5.838 -11.321 -3.927 1.00 0.00 C ATOM 0 H LEU A 44 -2.013 -11.568 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.058 -12.504 -7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.797 -11.077 -6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.432 -12.600 -6.042 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.813 -11.123 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.699 -8.874 -4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.087 -9.066 -5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.839 -9.089 -5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.674 -10.794 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.837 -11.096 -4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.745 -12.394 -3.762 1.00 0.00 H new ATOM 706 N THR A 45 -4.403 -9.748 -8.369 1.00 0.00 N ATOM 707 CA THR A 45 -4.128 -8.506 -9.077 1.00 0.00 C ATOM 708 C THR A 45 -4.771 -7.306 -8.381 1.00 0.00 C ATOM 709 O THR A 45 -5.994 -7.229 -8.251 1.00 0.00 O ATOM 710 CB THR A 45 -4.619 -8.583 -10.535 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.018 -9.709 -11.189 1.00 0.00 O ATOM 712 CG2 THR A 45 -4.276 -7.313 -11.298 1.00 0.00 C ATOM 0 H THR A 45 -5.391 -9.997 -8.316 1.00 0.00 H new ATOM 0 HA THR A 45 -3.047 -8.368 -9.071 1.00 0.00 H new ATOM 0 HB THR A 45 -5.703 -8.695 -10.522 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.334 -9.756 -12.116 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.635 -7.397 -12.324 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.752 -6.459 -10.816 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.195 -7.172 -11.302 1.00 0.00 H new ATOM 720 N ILE A 46 -3.933 -6.386 -7.919 1.00 0.00 N ATOM 721 CA ILE A 46 -4.399 -5.144 -7.325 1.00 0.00 C ATOM 722 C ILE A 46 -4.644 -4.103 -8.403 1.00 0.00 C ATOM 723 O ILE A 46 -3.829 -3.941 -9.312 1.00 0.00 O ATOM 724 CB ILE A 46 -3.370 -4.565 -6.329 1.00 0.00 C ATOM 725 CG1 ILE A 46 -3.083 -5.563 -5.206 1.00 0.00 C ATOM 726 CG2 ILE A 46 -3.873 -3.244 -5.755 1.00 0.00 C ATOM 727 CD1 ILE A 46 -4.329 -6.072 -4.533 1.00 0.00 C ATOM 0 H ILE A 46 -2.918 -6.481 -7.946 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.323 -5.374 -6.795 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.439 -4.379 -6.865 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.527 -6.407 -5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.444 -5.089 -4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.137 -2.848 -5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.025 -2.530 -6.564 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.817 -3.409 -5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.056 -6.776 -3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.875 -5.235 -4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.959 -6.575 -5.267 1.00 0.00 H new ATOM 739 N GLY A 47 -5.765 -3.404 -8.303 1.00 0.00 N ATOM 740 CA GLY A 47 -6.012 -2.300 -9.195 1.00 0.00 C ATOM 741 C GLY A 47 -5.147 -1.111 -8.856 1.00 0.00 C ATOM 742 O GLY A 47 -4.912 -0.817 -7.687 1.00 0.00 O ATOM 0 H GLY A 47 -6.503 -3.584 -7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.819 -2.610 -10.222 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.063 -2.014 -9.140 1.00 0.00 H new ATOM 746 N GLU A 48 -4.714 -0.415 -9.882 1.00 0.00 N ATOM 747 CA GLU A 48 -3.780 0.699 -9.742 1.00 0.00 C ATOM 748 C GLU A 48 -4.459 1.923 -9.147 1.00 0.00 C ATOM 749 O GLU A 48 -5.679 1.947 -8.957 1.00 0.00 O ATOM 750 CB GLU A 48 -3.202 1.041 -11.106 1.00 0.00 C ATOM 751 CG GLU A 48 -2.484 -0.121 -11.763 1.00 0.00 C ATOM 752 CD GLU A 48 -2.299 0.089 -13.246 1.00 0.00 C ATOM 753 OE1 GLU A 48 -1.305 0.733 -13.639 1.00 0.00 O ATOM 754 OE2 GLU A 48 -3.151 -0.387 -14.025 1.00 0.00 O ATOM 0 H GLU A 48 -4.996 -0.600 -10.845 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.983 0.398 -9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.007 1.378 -11.760 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.508 1.875 -11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.510 -0.257 -11.293 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.050 -1.037 -11.595 1.00 0.00 H new ATOM 761 N TYR A 49 -3.663 2.938 -8.845 1.00 0.00 N ATOM 762 CA TYR A 49 -4.193 4.181 -8.313 1.00 0.00 C ATOM 763 C TYR A 49 -4.831 4.989 -9.432 1.00 0.00 C ATOM 764 O TYR A 49 -4.219 5.903 -9.989 1.00 0.00 O ATOM 765 CB TYR A 49 -3.103 5.011 -7.618 1.00 0.00 C ATOM 766 CG TYR A 49 -3.661 6.158 -6.797 1.00 0.00 C ATOM 767 CD1 TYR A 49 -4.106 5.941 -5.505 1.00 0.00 C ATOM 768 CD2 TYR A 49 -3.766 7.443 -7.316 1.00 0.00 C ATOM 769 CE1 TYR A 49 -4.638 6.957 -4.743 1.00 0.00 C ATOM 770 CE2 TYR A 49 -4.295 8.474 -6.561 1.00 0.00 C ATOM 771 CZ TYR A 49 -4.730 8.226 -5.276 1.00 0.00 C ATOM 772 OH TYR A 49 -5.262 9.248 -4.527 1.00 0.00 O ATOM 0 H TYR A 49 -2.650 2.924 -8.960 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.946 3.933 -7.565 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.517 4.360 -6.970 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.422 5.408 -8.371 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.034 4.949 -5.083 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.430 7.639 -8.323 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.980 6.762 -3.737 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.367 9.469 -6.976 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.253 10.076 -5.051 1.00 0.00 H new ATOM 782 N SER A 50 -6.045 4.605 -9.794 1.00 0.00 N ATOM 783 CA SER A 50 -6.840 5.361 -10.739 1.00 0.00 C ATOM 784 C SER A 50 -7.053 6.766 -10.192 1.00 0.00 C ATOM 785 O SER A 50 -7.588 6.921 -9.105 1.00 0.00 O ATOM 786 CB SER A 50 -8.173 4.655 -10.936 1.00 0.00 C ATOM 787 OG SER A 50 -7.988 3.249 -11.015 1.00 0.00 O ATOM 0 H SER A 50 -6.502 3.764 -9.441 1.00 0.00 H new ATOM 0 HA SER A 50 -6.331 5.430 -11.700 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.842 4.893 -10.109 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.651 5.016 -11.847 1.00 0.00 H new ATOM 0 HG SER A 50 -8.856 2.811 -11.140 1.00 0.00 H new ATOM 793 N GLU A 51 -6.662 7.783 -10.943 1.00 0.00 N ATOM 794 CA GLU A 51 -6.597 9.140 -10.405 1.00 0.00 C ATOM 795 C GLU A 51 -7.979 9.677 -10.050 1.00 0.00 C ATOM 796 O GLU A 51 -8.101 10.708 -9.390 1.00 0.00 O ATOM 797 CB GLU A 51 -5.902 10.073 -11.394 1.00 0.00 C ATOM 798 CG GLU A 51 -4.470 9.667 -11.698 1.00 0.00 C ATOM 799 CD GLU A 51 -3.766 10.652 -12.604 1.00 0.00 C ATOM 800 OE1 GLU A 51 -4.021 10.631 -13.830 1.00 0.00 O ATOM 801 OE2 GLU A 51 -2.952 11.452 -12.100 1.00 0.00 O ATOM 0 H GLU A 51 -6.386 7.700 -11.921 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.014 9.099 -9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.471 10.095 -12.323 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.908 11.086 -10.992 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.915 9.578 -10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.467 8.682 -12.166 1.00 0.00 H new ATOM 808 N ARG A 52 -9.016 8.974 -10.477 1.00 0.00 N ATOM 809 CA ARG A 52 -10.372 9.381 -10.179 1.00 0.00 C ATOM 810 C ARG A 52 -10.788 9.002 -8.746 1.00 0.00 C ATOM 811 O ARG A 52 -11.276 9.851 -8.003 1.00 0.00 O ATOM 812 CB ARG A 52 -11.335 8.824 -11.240 1.00 0.00 C ATOM 813 CG ARG A 52 -11.287 7.315 -11.440 1.00 0.00 C ATOM 814 CD ARG A 52 -12.335 6.593 -10.613 1.00 0.00 C ATOM 815 NE ARG A 52 -12.431 5.179 -10.979 1.00 0.00 N ATOM 816 CZ ARG A 52 -13.576 4.499 -11.073 1.00 0.00 C ATOM 817 NH1 ARG A 52 -14.743 5.105 -10.878 1.00 0.00 N ATOM 818 NH2 ARG A 52 -13.551 3.213 -11.400 1.00 0.00 N ATOM 0 H ARG A 52 -8.941 8.120 -11.030 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.422 10.469 -10.221 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.352 9.105 -10.966 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.117 9.307 -12.193 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.437 7.085 -12.495 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.297 6.946 -11.171 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.087 6.679 -9.555 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.304 7.072 -10.754 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.564 4.679 -11.176 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.770 6.100 -10.654 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.611 4.575 -10.952 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.660 2.749 -11.578 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.423 2.688 -11.473 1.00 0.00 H new ATOM 832 N GLU A 53 -10.577 7.750 -8.338 1.00 0.00 N ATOM 833 CA GLU A 53 -10.944 7.342 -6.975 1.00 0.00 C ATOM 834 C GLU A 53 -9.737 6.861 -6.176 1.00 0.00 C ATOM 835 O GLU A 53 -9.679 7.023 -4.960 1.00 0.00 O ATOM 836 CB GLU A 53 -11.981 6.220 -7.010 1.00 0.00 C ATOM 837 CG GLU A 53 -13.374 6.680 -7.383 1.00 0.00 C ATOM 838 CD GLU A 53 -14.353 5.532 -7.489 1.00 0.00 C ATOM 839 OE1 GLU A 53 -13.915 4.387 -7.714 1.00 0.00 O ATOM 840 OE2 GLU A 53 -15.571 5.773 -7.358 1.00 0.00 O ATOM 0 H GLU A 53 -10.165 7.015 -8.912 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.358 8.224 -6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.657 5.462 -7.723 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.017 5.742 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.731 7.390 -6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.336 7.210 -8.335 1.00 0.00 H new ATOM 847 N GLY A 54 -8.773 6.320 -6.908 1.00 0.00 N ATOM 848 CA GLY A 54 -7.530 5.764 -6.378 1.00 0.00 C ATOM 849 C GLY A 54 -7.630 4.932 -5.120 1.00 0.00 C ATOM 850 O GLY A 54 -6.606 4.618 -4.545 1.00 0.00 O ATOM 0 H GLY A 54 -8.835 6.253 -7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.076 5.149 -7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.845 6.590 -6.184 1.00 0.00 H new ATOM 854 N TYR A 55 -8.817 4.540 -4.692 1.00 0.00 N ATOM 855 CA TYR A 55 -8.930 3.736 -3.485 1.00 0.00 C ATOM 856 C TYR A 55 -9.676 2.445 -3.774 1.00 0.00 C ATOM 857 O TYR A 55 -9.896 1.631 -2.882 1.00 0.00 O ATOM 858 CB TYR A 55 -9.625 4.506 -2.358 1.00 0.00 C ATOM 859 CG TYR A 55 -8.948 5.811 -1.976 1.00 0.00 C ATOM 860 CD1 TYR A 55 -7.590 6.019 -2.200 1.00 0.00 C ATOM 861 CD2 TYR A 55 -9.675 6.837 -1.389 1.00 0.00 C ATOM 862 CE1 TYR A 55 -6.983 7.208 -1.848 1.00 0.00 C ATOM 863 CE2 TYR A 55 -9.075 8.028 -1.037 1.00 0.00 C ATOM 864 CZ TYR A 55 -7.730 8.211 -1.267 1.00 0.00 C ATOM 865 OH TYR A 55 -7.130 9.396 -0.905 1.00 0.00 O ATOM 0 H TYR A 55 -9.701 4.759 -5.151 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.919 3.497 -3.154 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.651 4.718 -2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.677 3.867 -1.477 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.001 5.237 -2.657 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -10.730 6.700 -1.204 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.928 7.352 -2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.659 8.815 -0.582 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.799 9.994 -0.511 1.00 0.00 H new ATOM 875 N LYS A 56 -10.062 2.265 -5.031 1.00 0.00 N ATOM 876 CA LYS A 56 -10.867 1.115 -5.420 1.00 0.00 C ATOM 877 C LYS A 56 -10.109 -0.197 -5.232 1.00 0.00 C ATOM 878 O LYS A 56 -10.598 -1.111 -4.571 1.00 0.00 O ATOM 879 CB LYS A 56 -11.366 1.247 -6.874 1.00 0.00 C ATOM 880 CG LYS A 56 -10.746 2.391 -7.685 1.00 0.00 C ATOM 881 CD LYS A 56 -9.324 2.091 -8.153 1.00 0.00 C ATOM 882 CE LYS A 56 -9.276 0.860 -9.049 1.00 0.00 C ATOM 883 NZ LYS A 56 -7.914 0.604 -9.589 1.00 0.00 N ATOM 0 H LYS A 56 -9.831 2.899 -5.796 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.734 1.096 -4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.169 0.309 -7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.448 1.382 -6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.373 2.594 -8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.739 3.296 -7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.929 2.951 -8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.680 1.937 -7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.609 -0.010 -8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.974 0.989 -9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.888 -0.335 -10.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.679 1.329 -10.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.221 0.639 -8.814 1.00 0.00 H new ATOM 897 N GLY A 57 -8.909 -0.273 -5.807 1.00 0.00 N ATOM 898 CA GLY A 57 -8.078 -1.466 -5.694 1.00 0.00 C ATOM 899 C GLY A 57 -8.735 -2.728 -6.239 1.00 0.00 C ATOM 900 O GLY A 57 -8.188 -3.824 -6.092 1.00 0.00 O ATOM 0 H GLY A 57 -8.493 0.479 -6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.142 -1.297 -6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.825 -1.623 -4.645 1.00 0.00 H new ATOM 904 N SER A 58 -9.889 -2.566 -6.886 1.00 0.00 N ATOM 905 CA SER A 58 -10.728 -3.680 -7.314 1.00 0.00 C ATOM 906 C SER A 58 -11.283 -4.423 -6.094 1.00 0.00 C ATOM 907 O SER A 58 -12.408 -4.157 -5.661 1.00 0.00 O ATOM 908 CB SER A 58 -9.969 -4.635 -8.246 1.00 0.00 C ATOM 909 OG SER A 58 -10.826 -5.647 -8.751 1.00 0.00 O ATOM 0 H SER A 58 -10.269 -1.651 -7.128 1.00 0.00 H new ATOM 0 HA SER A 58 -11.564 -3.274 -7.884 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.538 -4.073 -9.074 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.140 -5.093 -7.706 1.00 0.00 H new ATOM 0 HG SER A 58 -10.318 -6.240 -9.343 1.00 0.00 H new ATOM 915 N GLU A 59 -10.494 -5.326 -5.524 1.00 0.00 N ATOM 916 CA GLU A 59 -10.917 -6.063 -4.344 1.00 0.00 C ATOM 917 C GLU A 59 -10.009 -5.753 -3.156 1.00 0.00 C ATOM 918 O GLU A 59 -10.362 -6.026 -2.011 1.00 0.00 O ATOM 919 CB GLU A 59 -10.941 -7.567 -4.622 1.00 0.00 C ATOM 920 CG GLU A 59 -11.566 -8.364 -3.490 1.00 0.00 C ATOM 921 CD GLU A 59 -11.732 -9.836 -3.809 1.00 0.00 C ATOM 922 OE1 GLU A 59 -10.749 -10.596 -3.696 1.00 0.00 O ATOM 923 OE2 GLU A 59 -12.861 -10.244 -4.163 1.00 0.00 O ATOM 0 H GLU A 59 -9.561 -5.564 -5.860 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.929 -5.745 -4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.496 -7.753 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.922 -7.918 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.947 -8.261 -2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.541 -7.939 -3.252 1.00 0.00 H new ATOM 930 N TYR A 60 -8.848 -5.167 -3.422 1.00 0.00 N ATOM 931 CA TYR A 60 -7.915 -4.823 -2.355 1.00 0.00 C ATOM 932 C TYR A 60 -7.328 -3.440 -2.557 1.00 0.00 C ATOM 933 O TYR A 60 -6.762 -3.145 -3.606 1.00 0.00 O ATOM 934 CB TYR A 60 -6.777 -5.842 -2.263 1.00 0.00 C ATOM 935 CG TYR A 60 -7.184 -7.137 -1.608 1.00 0.00 C ATOM 936 CD1 TYR A 60 -7.197 -7.242 -0.233 1.00 0.00 C ATOM 937 CD2 TYR A 60 -7.576 -8.241 -2.354 1.00 0.00 C ATOM 938 CE1 TYR A 60 -7.586 -8.401 0.394 1.00 0.00 C ATOM 939 CE2 TYR A 60 -7.964 -9.414 -1.736 1.00 0.00 C ATOM 940 CZ TYR A 60 -7.968 -9.489 -0.360 1.00 0.00 C ATOM 941 OH TYR A 60 -8.364 -10.650 0.262 1.00 0.00 O ATOM 0 H TYR A 60 -8.531 -4.921 -4.360 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.483 -4.835 -1.425 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.405 -6.052 -3.266 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.951 -5.404 -1.702 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.895 -6.394 0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.578 -8.182 -3.432 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.592 -8.459 1.472 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.262 -10.267 -2.328 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.602 -11.319 -0.414 1.00 0.00 H new ATOM 951 N ALA A 61 -7.452 -2.606 -1.539 1.00 0.00 N ATOM 952 CA ALA A 61 -6.847 -1.287 -1.560 1.00 0.00 C ATOM 953 C ALA A 61 -5.603 -1.277 -0.686 1.00 0.00 C ATOM 954 O ALA A 61 -5.702 -1.331 0.541 1.00 0.00 O ATOM 955 CB ALA A 61 -7.841 -0.233 -1.090 1.00 0.00 C ATOM 0 H ALA A 61 -7.968 -2.820 -0.686 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.560 -1.047 -2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.368 0.749 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.710 -0.233 -1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.157 -0.460 -0.072 1.00 0.00 H new ATOM 961 N PRO A 62 -4.410 -1.267 -1.300 1.00 0.00 N ATOM 962 CA PRO A 62 -3.160 -1.105 -0.561 1.00 0.00 C ATOM 963 C PRO A 62 -3.084 0.259 0.098 1.00 0.00 C ATOM 964 O PRO A 62 -3.111 1.289 -0.573 1.00 0.00 O ATOM 965 CB PRO A 62 -2.078 -1.237 -1.641 1.00 0.00 C ATOM 966 CG PRO A 62 -2.781 -0.946 -2.923 1.00 0.00 C ATOM 967 CD PRO A 62 -4.179 -1.455 -2.741 1.00 0.00 C ATOM 0 HA PRO A 62 -3.056 -1.834 0.243 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.261 -0.536 -1.470 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -1.644 -2.237 -1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.778 0.123 -3.138 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.290 -1.441 -3.761 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.895 -0.894 -3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.269 -2.502 -3.032 1.00 0.00 H new ATOM 975 N THR A 63 -2.956 0.265 1.408 1.00 0.00 N ATOM 976 CA THR A 63 -2.942 1.502 2.149 1.00 0.00 C ATOM 977 C THR A 63 -1.715 1.565 3.044 1.00 0.00 C ATOM 978 O THR A 63 -1.156 0.539 3.434 1.00 0.00 O ATOM 979 CB THR A 63 -4.235 1.681 2.985 1.00 0.00 C ATOM 980 OG1 THR A 63 -4.287 0.727 4.051 1.00 0.00 O ATOM 981 CG2 THR A 63 -5.474 1.519 2.109 1.00 0.00 C ATOM 0 H THR A 63 -2.860 -0.575 1.979 1.00 0.00 H new ATOM 0 HA THR A 63 -2.899 2.321 1.431 1.00 0.00 H new ATOM 0 HB THR A 63 -4.219 2.688 3.403 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.206 -0.178 3.684 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.369 1.649 2.717 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.461 2.269 1.318 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.478 0.523 1.665 1.00 0.00 H new ATOM 989 N TYR A 64 -1.301 2.769 3.344 1.00 0.00 N ATOM 990 CA TYR A 64 -0.086 3.014 4.101 1.00 0.00 C ATOM 991 C TYR A 64 -0.346 4.067 5.160 1.00 0.00 C ATOM 992 O TYR A 64 -1.370 4.747 5.119 1.00 0.00 O ATOM 993 CB TYR A 64 1.004 3.507 3.163 1.00 0.00 C ATOM 994 CG TYR A 64 0.551 4.715 2.394 1.00 0.00 C ATOM 995 CD1 TYR A 64 0.732 5.994 2.896 1.00 0.00 C ATOM 996 CD2 TYR A 64 -0.106 4.568 1.187 1.00 0.00 C ATOM 997 CE1 TYR A 64 0.274 7.093 2.204 1.00 0.00 C ATOM 998 CE2 TYR A 64 -0.561 5.659 0.489 1.00 0.00 C ATOM 999 CZ TYR A 64 -0.371 6.916 0.995 1.00 0.00 C ATOM 1000 OH TYR A 64 -0.820 7.998 0.282 1.00 0.00 O ATOM 0 H TYR A 64 -1.796 3.618 3.071 1.00 0.00 H new ATOM 0 HA TYR A 64 0.231 2.088 4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.898 3.752 3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.278 2.712 2.469 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.238 6.130 3.840 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.264 3.578 0.786 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.418 8.086 2.603 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.067 5.526 -0.456 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.529 7.714 -0.332 1.00 0.00 H new ATOM 1010 N GLU A 65 0.577 4.205 6.090 1.00 0.00 N ATOM 1011 CA GLU A 65 0.447 5.214 7.129 1.00 0.00 C ATOM 1012 C GLU A 65 1.452 6.329 6.883 1.00 0.00 C ATOM 1013 O GLU A 65 2.660 6.091 6.888 1.00 0.00 O ATOM 1014 CB GLU A 65 0.663 4.607 8.518 1.00 0.00 C ATOM 1015 CG GLU A 65 0.370 5.578 9.651 1.00 0.00 C ATOM 1016 CD GLU A 65 0.666 4.998 11.018 1.00 0.00 C ATOM 1017 OE1 GLU A 65 -0.133 4.171 11.505 1.00 0.00 O ATOM 1018 OE2 GLU A 65 1.697 5.373 11.618 1.00 0.00 O ATOM 0 H GLU A 65 1.422 3.636 6.150 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.564 5.619 7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.025 3.730 8.627 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.694 4.264 8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.962 6.482 9.510 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.678 5.874 9.607 1.00 0.00 H new ATOM 1025 N ASP A 66 0.953 7.534 6.646 1.00 0.00 N ATOM 1026 CA ASP A 66 1.816 8.683 6.397 1.00 0.00 C ATOM 1027 C ASP A 66 2.283 9.283 7.722 1.00 0.00 C ATOM 1028 O ASP A 66 1.905 8.796 8.787 1.00 0.00 O ATOM 1029 CB ASP A 66 1.084 9.731 5.554 1.00 0.00 C ATOM 1030 CG ASP A 66 0.334 10.741 6.390 1.00 0.00 C ATOM 1031 OD1 ASP A 66 -0.721 10.406 6.948 1.00 0.00 O ATOM 1032 OD2 ASP A 66 0.809 11.887 6.486 1.00 0.00 O ATOM 0 H ASP A 66 -0.045 7.743 6.621 1.00 0.00 H new ATOM 0 HA ASP A 66 2.691 8.352 5.838 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.806 10.252 4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.384 9.228 4.887 1.00 0.00 H new ATOM 1037 N LYS A 67 3.091 10.335 7.670 1.00 0.00 N ATOM 1038 CA LYS A 67 3.612 10.947 8.891 1.00 0.00 C ATOM 1039 C LYS A 67 2.502 11.554 9.758 1.00 0.00 C ATOM 1040 O LYS A 67 2.644 11.651 10.978 1.00 0.00 O ATOM 1041 CB LYS A 67 4.709 11.981 8.587 1.00 0.00 C ATOM 1042 CG LYS A 67 4.578 12.677 7.241 1.00 0.00 C ATOM 1043 CD LYS A 67 3.398 13.628 7.190 1.00 0.00 C ATOM 1044 CE LYS A 67 3.060 13.992 5.756 1.00 0.00 C ATOM 1045 NZ LYS A 67 2.705 12.782 4.967 1.00 0.00 N ATOM 0 H LYS A 67 3.399 10.780 6.805 1.00 0.00 H new ATOM 0 HA LYS A 67 4.066 10.143 9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.703 12.737 9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.678 11.484 8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.494 13.229 7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.470 11.927 6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.533 13.167 7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.629 14.531 7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.228 14.696 5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.910 14.494 5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.080 13.051 4.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.571 12.348 4.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.215 12.099 5.580 1.00 0.00 H new ATOM 1059 N ASP A 68 1.389 11.935 9.137 1.00 0.00 N ATOM 1060 CA ASP A 68 0.253 12.480 9.875 1.00 0.00 C ATOM 1061 C ASP A 68 -0.532 11.350 10.540 1.00 0.00 C ATOM 1062 O ASP A 68 -1.292 11.570 11.482 1.00 0.00 O ATOM 1063 CB ASP A 68 -0.658 13.284 8.940 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.849 13.896 9.654 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.652 14.833 10.454 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -2.993 13.454 9.403 1.00 0.00 O ATOM 0 H ASP A 68 1.249 11.877 8.128 1.00 0.00 H new ATOM 0 HA ASP A 68 0.628 13.149 10.649 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.077 14.077 8.469 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.015 12.633 8.142 1.00 0.00 H new ATOM 1071 N GLY A 69 -0.317 10.136 10.053 1.00 0.00 N ATOM 1072 CA GLY A 69 -0.970 8.976 10.622 1.00 0.00 C ATOM 1073 C GLY A 69 -2.247 8.622 9.896 1.00 0.00 C ATOM 1074 O GLY A 69 -3.076 7.871 10.413 1.00 0.00 O ATOM 0 H GLY A 69 0.303 9.934 9.268 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.289 8.126 10.589 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.192 9.166 11.672 1.00 0.00 H new ATOM 1078 N ASP A 70 -2.417 9.178 8.706 1.00 0.00 N ATOM 1079 CA ASP A 70 -3.605 8.925 7.904 1.00 0.00 C ATOM 1080 C ASP A 70 -3.321 7.821 6.893 1.00 0.00 C ATOM 1081 O ASP A 70 -2.221 7.742 6.343 1.00 0.00 O ATOM 1082 CB ASP A 70 -4.040 10.205 7.184 1.00 0.00 C ATOM 1083 CG ASP A 70 -5.439 10.107 6.610 1.00 0.00 C ATOM 1084 OD1 ASP A 70 -5.605 9.545 5.511 1.00 0.00 O ATOM 1085 OD2 ASP A 70 -6.386 10.604 7.258 1.00 0.00 O ATOM 0 H ASP A 70 -1.744 9.810 8.273 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.414 8.604 8.560 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.996 11.042 7.881 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.336 10.422 6.380 1.00 0.00 H new ATOM 1090 N TRP A 71 -4.304 6.969 6.654 1.00 0.00 N ATOM 1091 CA TRP A 71 -4.132 5.862 5.730 1.00 0.00 C ATOM 1092 C TRP A 71 -4.768 6.175 4.389 1.00 0.00 C ATOM 1093 O TRP A 71 -5.975 6.398 4.287 1.00 0.00 O ATOM 1094 CB TRP A 71 -4.738 4.575 6.304 1.00 0.00 C ATOM 1095 CG TRP A 71 -4.077 4.099 7.561 1.00 0.00 C ATOM 1096 CD1 TRP A 71 -4.246 4.601 8.818 1.00 0.00 C ATOM 1097 CD2 TRP A 71 -3.147 3.018 7.684 1.00 0.00 C ATOM 1098 NE1 TRP A 71 -3.475 3.900 9.713 1.00 0.00 N ATOM 1099 CE2 TRP A 71 -2.792 2.925 9.040 1.00 0.00 C ATOM 1100 CE3 TRP A 71 -2.578 2.121 6.777 1.00 0.00 C ATOM 1101 CZ2 TRP A 71 -1.894 1.972 9.512 1.00 0.00 C ATOM 1102 CZ3 TRP A 71 -1.688 1.176 7.246 1.00 0.00 C ATOM 1103 CH2 TRP A 71 -1.354 1.106 8.602 1.00 0.00 C ATOM 0 H TRP A 71 -5.227 7.023 7.086 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.062 5.713 5.585 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.797 4.741 6.503 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.674 3.789 5.552 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -4.892 5.429 9.072 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -3.421 4.078 10.716 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -2.830 2.166 5.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -1.633 1.919 10.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.242 0.478 6.553 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.656 0.353 8.937 1.00 0.00 H new ATOM 1114 N MET A 72 -3.938 6.189 3.368 1.00 0.00 N ATOM 1115 CA MET A 72 -4.384 6.421 2.007 1.00 0.00 C ATOM 1116 C MET A 72 -3.904 5.269 1.142 1.00 0.00 C ATOM 1117 O MET A 72 -3.136 4.430 1.611 1.00 0.00 O ATOM 1118 CB MET A 72 -3.812 7.741 1.486 1.00 0.00 C ATOM 1119 CG MET A 72 -4.179 8.946 2.340 1.00 0.00 C ATOM 1120 SD MET A 72 -3.215 10.413 1.924 1.00 0.00 S ATOM 1121 CE MET A 72 -1.569 9.900 2.427 1.00 0.00 C ATOM 0 H MET A 72 -2.933 6.040 3.456 1.00 0.00 H new ATOM 0 HA MET A 72 -5.472 6.482 1.977 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.726 7.661 1.434 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.169 7.905 0.469 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.239 9.165 2.215 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.026 8.702 3.391 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.217 10.546 3.231 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.601 8.868 2.777 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.889 9.974 1.578 1.00 0.00 H new ATOM 1131 N LEU A 73 -4.353 5.214 -0.099 1.00 0.00 N ATOM 1132 CA LEU A 73 -3.900 4.196 -1.019 1.00 0.00 C ATOM 1133 C LEU A 73 -2.695 4.739 -1.784 1.00 0.00 C ATOM 1134 O LEU A 73 -2.639 5.931 -2.098 1.00 0.00 O ATOM 1135 CB LEU A 73 -5.052 3.811 -1.952 1.00 0.00 C ATOM 1136 CG LEU A 73 -4.861 2.539 -2.781 1.00 0.00 C ATOM 1137 CD1 LEU A 73 -6.200 1.993 -3.234 1.00 0.00 C ATOM 1138 CD2 LEU A 73 -4.038 2.850 -3.997 1.00 0.00 C ATOM 0 H LEU A 73 -5.033 5.866 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.591 3.294 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.954 3.695 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.229 4.641 -2.636 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.358 1.797 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.044 1.089 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.811 1.758 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.710 2.739 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.903 1.943 -4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.548 3.602 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.064 3.231 -3.690 1.00 0.00 H new ATOM 1150 N VAL A 74 -1.724 3.870 -2.037 1.00 0.00 N ATOM 1151 CA VAL A 74 -0.462 4.266 -2.665 1.00 0.00 C ATOM 1152 C VAL A 74 -0.677 4.899 -4.036 1.00 0.00 C ATOM 1153 O VAL A 74 -1.533 4.474 -4.803 1.00 0.00 O ATOM 1154 CB VAL A 74 0.507 3.072 -2.788 1.00 0.00 C ATOM 1155 CG1 VAL A 74 0.965 2.628 -1.408 1.00 0.00 C ATOM 1156 CG2 VAL A 74 -0.140 1.913 -3.533 1.00 0.00 C ATOM 0 H VAL A 74 -1.785 2.876 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.016 5.015 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 74 1.375 3.395 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.649 1.785 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.475 3.453 -0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.100 2.327 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.567 1.086 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.029 1.585 -2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.422 2.237 -4.535 1.00 0.00 H new ATOM 1166 N GLY A 75 0.132 5.903 -4.344 1.00 0.00 N ATOM 1167 CA GLY A 75 -0.062 6.669 -5.558 1.00 0.00 C ATOM 1168 C GLY A 75 -0.490 8.093 -5.265 1.00 0.00 C ATOM 1169 O GLY A 75 -0.754 8.874 -6.179 1.00 0.00 O ATOM 0 H GLY A 75 0.922 6.201 -3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.864 6.679 -6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.816 6.183 -6.177 1.00 0.00 H new ATOM 1173 N ASP A 76 -0.557 8.430 -3.984 1.00 0.00 N ATOM 1174 CA ASP A 76 -0.911 9.787 -3.571 1.00 0.00 C ATOM 1175 C ASP A 76 0.296 10.715 -3.675 1.00 0.00 C ATOM 1176 O ASP A 76 0.269 11.710 -4.401 1.00 0.00 O ATOM 1177 CB ASP A 76 -1.457 9.791 -2.143 1.00 0.00 C ATOM 1178 CG ASP A 76 -1.795 11.185 -1.658 1.00 0.00 C ATOM 1179 OD1 ASP A 76 -2.858 11.712 -2.045 1.00 0.00 O ATOM 1180 OD2 ASP A 76 -1.003 11.764 -0.891 1.00 0.00 O ATOM 0 H ASP A 76 -0.372 7.788 -3.214 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.688 10.152 -4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.349 9.167 -2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.721 9.345 -1.474 1.00 0.00 H new ATOM 1185 N VAL A 77 1.351 10.381 -2.945 1.00 0.00 N ATOM 1186 CA VAL A 77 2.598 11.108 -3.004 1.00 0.00 C ATOM 1187 C VAL A 77 3.551 10.395 -3.964 1.00 0.00 C ATOM 1188 O VAL A 77 3.425 9.188 -4.175 1.00 0.00 O ATOM 1189 CB VAL A 77 3.257 11.155 -1.609 1.00 0.00 C ATOM 1190 CG1 VAL A 77 3.827 12.515 -1.333 1.00 0.00 C ATOM 1191 CG2 VAL A 77 2.286 10.759 -0.506 1.00 0.00 C ATOM 0 H VAL A 77 1.360 9.595 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 77 2.396 12.123 -3.346 1.00 0.00 H new ATOM 0 HB VAL A 77 4.068 10.426 -1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.286 12.523 -0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.580 12.753 -2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.030 13.258 -1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.792 10.806 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.438 11.444 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.932 9.743 -0.681 1.00 0.00 H new ATOM 1201 N PRO A 78 4.495 11.120 -4.583 1.00 0.00 N ATOM 1202 CA PRO A 78 5.495 10.520 -5.456 1.00 0.00 C ATOM 1203 C PRO A 78 6.545 9.778 -4.644 1.00 0.00 C ATOM 1204 O PRO A 78 6.768 10.102 -3.474 1.00 0.00 O ATOM 1205 CB PRO A 78 6.119 11.716 -6.192 1.00 0.00 C ATOM 1206 CG PRO A 78 5.270 12.890 -5.834 1.00 0.00 C ATOM 1207 CD PRO A 78 4.672 12.569 -4.498 1.00 0.00 C ATOM 0 HA PRO A 78 5.067 9.787 -6.139 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.153 11.871 -5.884 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.129 11.552 -7.270 1.00 0.00 H new ATOM 0 HG2 PRO A 78 5.864 13.803 -5.787 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.493 13.053 -6.581 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.331 12.852 -3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.726 13.087 -4.340 1.00 0.00 H new ATOM 1215 N TRP A 79 7.184 8.803 -5.275 1.00 0.00 N ATOM 1216 CA TRP A 79 8.091 7.881 -4.603 1.00 0.00 C ATOM 1217 C TRP A 79 9.073 8.593 -3.672 1.00 0.00 C ATOM 1218 O TRP A 79 9.185 8.232 -2.506 1.00 0.00 O ATOM 1219 CB TRP A 79 8.855 7.062 -5.647 1.00 0.00 C ATOM 1220 CG TRP A 79 9.613 5.910 -5.066 1.00 0.00 C ATOM 1221 CD1 TRP A 79 10.971 5.761 -5.010 1.00 0.00 C ATOM 1222 CD2 TRP A 79 9.055 4.742 -4.453 1.00 0.00 C ATOM 1223 NE1 TRP A 79 11.289 4.570 -4.404 1.00 0.00 N ATOM 1224 CE2 TRP A 79 10.130 3.927 -4.052 1.00 0.00 C ATOM 1225 CE3 TRP A 79 7.751 4.307 -4.204 1.00 0.00 C ATOM 1226 CZ2 TRP A 79 9.938 2.704 -3.417 1.00 0.00 C ATOM 1227 CZ3 TRP A 79 7.563 3.098 -3.577 1.00 0.00 C ATOM 1228 CH2 TRP A 79 8.650 2.305 -3.188 1.00 0.00 C ATOM 0 H TRP A 79 7.087 8.628 -6.275 1.00 0.00 H new ATOM 0 HA TRP A 79 7.485 7.223 -3.980 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.150 6.686 -6.388 1.00 0.00 H new ATOM 0 HB3 TRP A 79 9.551 7.716 -6.172 1.00 0.00 H new ATOM 0 HD1 TRP A 79 11.688 6.475 -5.387 1.00 0.00 H new ATOM 0 HE1 TRP A 79 12.234 4.221 -4.242 1.00 0.00 H new ATOM 0 HE3 TRP A 79 6.905 4.910 -4.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 10.775 2.092 -3.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 6.558 2.753 -3.381 1.00 0.00 H new ATOM 0 HH2 TRP A 79 8.468 1.360 -2.698 1.00 0.00 H new ATOM 1239 N ASP A 80 9.736 9.629 -4.171 1.00 0.00 N ATOM 1240 CA ASP A 80 10.836 10.265 -3.439 1.00 0.00 C ATOM 1241 C ASP A 80 10.409 10.734 -2.047 1.00 0.00 C ATOM 1242 O ASP A 80 11.137 10.551 -1.070 1.00 0.00 O ATOM 1243 CB ASP A 80 11.394 11.442 -4.237 1.00 0.00 C ATOM 1244 CG ASP A 80 12.562 12.109 -3.540 1.00 0.00 C ATOM 1245 OD1 ASP A 80 13.649 11.496 -3.466 1.00 0.00 O ATOM 1246 OD2 ASP A 80 12.408 13.259 -3.076 1.00 0.00 O ATOM 0 H ASP A 80 9.535 10.050 -5.078 1.00 0.00 H new ATOM 0 HA ASP A 80 11.613 9.512 -3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.712 11.093 -5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.604 12.175 -4.399 1.00 0.00 H new ATOM 1251 N MET A 81 9.224 11.321 -1.956 1.00 0.00 N ATOM 1252 CA MET A 81 8.689 11.777 -0.675 1.00 0.00 C ATOM 1253 C MET A 81 8.015 10.626 0.061 1.00 0.00 C ATOM 1254 O MET A 81 8.035 10.555 1.291 1.00 0.00 O ATOM 1255 CB MET A 81 7.672 12.898 -0.892 1.00 0.00 C ATOM 1256 CG MET A 81 8.278 14.197 -1.390 1.00 0.00 C ATOM 1257 SD MET A 81 7.026 15.386 -1.916 1.00 0.00 S ATOM 1258 CE MET A 81 6.025 15.515 -0.435 1.00 0.00 C ATOM 0 H MET A 81 8.612 11.494 -2.753 1.00 0.00 H new ATOM 0 HA MET A 81 9.519 12.151 -0.076 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.923 12.561 -1.609 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.152 13.089 0.047 1.00 0.00 H new ATOM 0 HG2 MET A 81 8.884 14.638 -0.599 1.00 0.00 H new ATOM 0 HG3 MET A 81 8.947 13.986 -2.224 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.358 16.373 -0.520 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.435 14.607 -0.314 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.673 15.644 0.432 1.00 0.00 H new ATOM 1268 N PHE A 82 7.414 9.739 -0.714 1.00 0.00 N ATOM 1269 CA PHE A 82 6.634 8.631 -0.184 1.00 0.00 C ATOM 1270 C PHE A 82 7.443 7.721 0.741 1.00 0.00 C ATOM 1271 O PHE A 82 7.022 7.427 1.862 1.00 0.00 O ATOM 1272 CB PHE A 82 6.078 7.798 -1.333 1.00 0.00 C ATOM 1273 CG PHE A 82 4.837 7.073 -0.951 1.00 0.00 C ATOM 1274 CD1 PHE A 82 4.893 5.856 -0.291 1.00 0.00 C ATOM 1275 CD2 PHE A 82 3.610 7.636 -1.222 1.00 0.00 C ATOM 1276 CE1 PHE A 82 3.729 5.217 0.085 1.00 0.00 C ATOM 1277 CE2 PHE A 82 2.452 7.010 -0.844 1.00 0.00 C ATOM 1278 CZ PHE A 82 2.508 5.802 -0.193 1.00 0.00 C ATOM 0 H PHE A 82 7.453 9.766 -1.733 1.00 0.00 H new ATOM 0 HA PHE A 82 5.829 9.068 0.406 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.870 8.448 -2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.831 7.080 -1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.850 5.406 -0.070 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.560 8.583 -1.739 1.00 0.00 H new ATOM 0 HE1 PHE A 82 3.772 4.265 0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.496 7.466 -1.058 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.595 5.307 0.103 1.00 0.00 H new ATOM 1288 N VAL A 83 8.601 7.285 0.268 1.00 0.00 N ATOM 1289 CA VAL A 83 9.387 6.270 0.969 1.00 0.00 C ATOM 1290 C VAL A 83 9.790 6.744 2.356 1.00 0.00 C ATOM 1291 O VAL A 83 9.770 5.979 3.321 1.00 0.00 O ATOM 1292 CB VAL A 83 10.659 5.897 0.181 1.00 0.00 C ATOM 1293 CG1 VAL A 83 11.133 4.524 0.582 1.00 0.00 C ATOM 1294 CG2 VAL A 83 10.425 5.941 -1.312 1.00 0.00 C ATOM 0 H VAL A 83 9.021 7.617 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 83 8.750 5.390 1.059 1.00 0.00 H new ATOM 0 HB VAL A 83 11.425 6.634 0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.032 4.271 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.358 4.514 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.353 3.793 0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.344 5.672 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.638 5.235 -1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.124 6.947 -1.604 1.00 0.00 H new ATOM 1304 N THR A 84 10.137 8.007 2.456 1.00 0.00 N ATOM 1305 CA THR A 84 10.626 8.569 3.697 1.00 0.00 C ATOM 1306 C THR A 84 9.498 8.899 4.681 1.00 0.00 C ATOM 1307 O THR A 84 9.755 9.173 5.853 1.00 0.00 O ATOM 1308 CB THR A 84 11.473 9.815 3.404 1.00 0.00 C ATOM 1309 OG1 THR A 84 10.770 10.676 2.502 1.00 0.00 O ATOM 1310 CG2 THR A 84 12.804 9.414 2.788 1.00 0.00 C ATOM 0 H THR A 84 10.089 8.672 1.684 1.00 0.00 H new ATOM 0 HA THR A 84 11.245 7.812 4.179 1.00 0.00 H new ATOM 0 HB THR A 84 11.659 10.341 4.341 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.313 11.471 2.319 1.00 0.00 H new ATOM 0 HG21 THR A 84 13.395 10.307 2.585 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.346 8.770 3.480 1.00 0.00 H new ATOM 0 HG23 THR A 84 12.627 8.877 1.856 1.00 0.00 H new ATOM 1318 N SER A 85 8.252 8.868 4.216 1.00 0.00 N ATOM 1319 CA SER A 85 7.133 9.281 5.055 1.00 0.00 C ATOM 1320 C SER A 85 6.252 8.104 5.499 1.00 0.00 C ATOM 1321 O SER A 85 5.632 8.166 6.564 1.00 0.00 O ATOM 1322 CB SER A 85 6.301 10.332 4.324 1.00 0.00 C ATOM 1323 OG SER A 85 6.000 9.922 3.001 1.00 0.00 O ATOM 0 H SER A 85 7.995 8.566 3.276 1.00 0.00 H new ATOM 0 HA SER A 85 7.551 9.711 5.965 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.375 10.511 4.871 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.844 11.277 4.299 1.00 0.00 H new ATOM 0 HG SER A 85 6.779 10.073 2.426 1.00 0.00 H new ATOM 1329 N CYS A 86 6.190 7.044 4.694 1.00 0.00 N ATOM 1330 CA CYS A 86 5.373 5.876 5.031 1.00 0.00 C ATOM 1331 C CYS A 86 5.919 5.162 6.271 1.00 0.00 C ATOM 1332 O CYS A 86 7.130 4.972 6.414 1.00 0.00 O ATOM 1333 CB CYS A 86 5.303 4.907 3.849 1.00 0.00 C ATOM 1334 SG CYS A 86 4.373 3.392 4.184 1.00 0.00 S ATOM 0 H CYS A 86 6.692 6.968 3.809 1.00 0.00 H new ATOM 0 HA CYS A 86 4.365 6.226 5.255 1.00 0.00 H new ATOM 0 HB2 CYS A 86 4.848 5.419 3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.317 4.639 3.553 1.00 0.00 H new ATOM 0 HG CYS A 86 4.189 2.742 3.074 1.00 0.00 H new ATOM 1340 N LYS A 87 5.012 4.779 7.164 1.00 0.00 N ATOM 1341 CA LYS A 87 5.382 4.180 8.444 1.00 0.00 C ATOM 1342 C LYS A 87 4.872 2.749 8.566 1.00 0.00 C ATOM 1343 O LYS A 87 5.573 1.868 9.063 1.00 0.00 O ATOM 1344 CB LYS A 87 4.805 5.012 9.591 1.00 0.00 C ATOM 1345 CG LYS A 87 5.266 6.459 9.592 1.00 0.00 C ATOM 1346 CD LYS A 87 4.475 7.324 10.570 1.00 0.00 C ATOM 1347 CE LYS A 87 4.784 7.009 12.032 1.00 0.00 C ATOM 1348 NZ LYS A 87 4.167 5.735 12.491 1.00 0.00 N ATOM 0 H LYS A 87 4.006 4.874 7.024 1.00 0.00 H new ATOM 0 HA LYS A 87 6.471 4.163 8.496 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.717 4.987 9.533 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.085 4.551 10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.324 6.500 9.850 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.167 6.869 8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.694 8.374 10.376 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.409 7.182 10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.864 6.953 12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.427 7.827 12.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.757 5.869 13.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.419 5.453 11.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.894 4.992 12.530 1.00 0.00 H new ATOM 1362 N ARG A 88 3.655 2.520 8.102 1.00 0.00 N ATOM 1363 CA ARG A 88 3.012 1.217 8.234 1.00 0.00 C ATOM 1364 C ARG A 88 2.302 0.850 6.944 1.00 0.00 C ATOM 1365 O ARG A 88 2.034 1.714 6.107 1.00 0.00 O ATOM 1366 CB ARG A 88 2.001 1.227 9.379 1.00 0.00 C ATOM 1367 CG ARG A 88 2.610 1.472 10.746 1.00 0.00 C ATOM 1368 CD ARG A 88 1.530 1.562 11.810 1.00 0.00 C ATOM 1369 NE ARG A 88 2.077 1.579 13.165 1.00 0.00 N ATOM 1370 CZ ARG A 88 1.615 2.356 14.145 1.00 0.00 C ATOM 1371 NH1 ARG A 88 0.699 3.282 13.890 1.00 0.00 N ATOM 1372 NH2 ARG A 88 2.092 2.230 15.376 1.00 0.00 N ATOM 0 H ARG A 88 3.087 3.222 7.627 1.00 0.00 H new ATOM 0 HA ARG A 88 3.785 0.479 8.448 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.255 1.997 9.183 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.476 0.272 9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.301 0.666 10.991 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.189 2.395 10.731 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.940 2.464 11.649 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.852 0.715 11.706 1.00 0.00 H new ATOM 0 HE ARG A 88 2.860 0.959 13.374 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.345 3.402 12.941 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.349 3.874 14.643 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.814 1.537 15.575 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.737 2.826 16.124 1.00 0.00 H new ATOM 1386 N LEU A 89 2.000 -0.431 6.787 1.00 0.00 N ATOM 1387 CA LEU A 89 1.476 -0.937 5.532 1.00 0.00 C ATOM 1388 C LEU A 89 0.280 -1.843 5.774 1.00 0.00 C ATOM 1389 O LEU A 89 0.365 -2.817 6.508 1.00 0.00 O ATOM 1390 CB LEU A 89 2.574 -1.709 4.803 1.00 0.00 C ATOM 1391 CG LEU A 89 2.537 -1.609 3.283 1.00 0.00 C ATOM 1392 CD1 LEU A 89 2.863 -0.196 2.826 1.00 0.00 C ATOM 1393 CD2 LEU A 89 3.495 -2.609 2.663 1.00 0.00 C ATOM 0 H LEU A 89 2.110 -1.137 7.515 1.00 0.00 H new ATOM 0 HA LEU A 89 1.149 -0.096 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.542 -1.349 5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.505 -2.760 5.084 1.00 0.00 H new ATOM 0 HG LEU A 89 1.527 -1.847 2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.831 -0.149 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.132 0.498 3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.860 0.077 3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.456 -2.525 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.509 -2.403 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.209 -3.618 2.959 1.00 0.00 H new ATOM 1405 N ARG A 90 -0.843 -1.520 5.182 1.00 0.00 N ATOM 1406 CA ARG A 90 -2.019 -2.350 5.336 1.00 0.00 C ATOM 1407 C ARG A 90 -2.763 -2.468 4.018 1.00 0.00 C ATOM 1408 O ARG A 90 -3.196 -1.480 3.447 1.00 0.00 O ATOM 1409 CB ARG A 90 -2.920 -1.789 6.440 1.00 0.00 C ATOM 1410 CG ARG A 90 -4.120 -2.660 6.784 1.00 0.00 C ATOM 1411 CD ARG A 90 -5.347 -2.275 5.976 1.00 0.00 C ATOM 1412 NE ARG A 90 -5.533 -0.822 5.932 1.00 0.00 N ATOM 1413 CZ ARG A 90 -6.297 -0.132 6.779 1.00 0.00 C ATOM 1414 NH1 ARG A 90 -6.979 -0.758 7.733 1.00 0.00 N ATOM 1415 NH2 ARG A 90 -6.378 1.188 6.665 1.00 0.00 N ATOM 0 H ARG A 90 -0.971 -0.697 4.594 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.710 -3.353 5.631 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.322 -1.645 7.340 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.277 -0.806 6.134 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.875 -3.706 6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.342 -2.569 7.847 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.250 -2.660 4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.231 -2.742 6.411 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.044 -0.303 5.203 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.920 -1.773 7.820 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.562 -0.224 8.378 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.857 1.669 5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.961 1.721 7.310 1.00 0.00 H new ATOM 1429 N ILE A 91 -2.893 -3.677 3.533 1.00 0.00 N ATOM 1430 CA ILE A 91 -3.674 -3.935 2.340 1.00 0.00 C ATOM 1431 C ILE A 91 -4.821 -4.821 2.738 1.00 0.00 C ATOM 1432 O ILE A 91 -4.630 -5.745 3.518 1.00 0.00 O ATOM 1433 CB ILE A 91 -2.865 -4.625 1.233 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -1.467 -3.994 1.131 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -3.614 -4.544 -0.099 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -0.503 -4.737 0.232 1.00 0.00 C ATOM 0 H ILE A 91 -2.466 -4.506 3.946 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.010 -2.981 1.933 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.741 -5.679 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.570 -2.972 0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.037 -3.933 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.029 -5.037 -0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.581 -5.038 -0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.766 -3.499 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.456 -4.220 0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.364 -5.751 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.906 -4.776 -0.780 1.00 0.00 H new ATOM 1448 N MET A 92 -6.002 -4.509 2.271 1.00 0.00 N ATOM 1449 CA MET A 92 -7.183 -5.238 2.699 1.00 0.00 C ATOM 1450 C MET A 92 -8.331 -5.096 1.725 1.00 0.00 C ATOM 1451 O MET A 92 -8.338 -4.210 0.866 1.00 0.00 O ATOM 1452 CB MET A 92 -7.622 -4.799 4.083 1.00 0.00 C ATOM 1453 CG MET A 92 -8.104 -3.361 4.136 1.00 0.00 C ATOM 1454 SD MET A 92 -8.743 -2.901 5.755 1.00 0.00 S ATOM 1455 CE MET A 92 -9.312 -1.239 5.417 1.00 0.00 C ATOM 0 H MET A 92 -6.178 -3.762 1.599 1.00 0.00 H new ATOM 0 HA MET A 92 -6.903 -6.291 2.730 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.421 -5.455 4.427 1.00 0.00 H new ATOM 0 HB3 MET A 92 -6.789 -4.921 4.776 1.00 0.00 H new ATOM 0 HG2 MET A 92 -7.281 -2.696 3.873 1.00 0.00 H new ATOM 0 HG3 MET A 92 -8.883 -3.216 3.388 1.00 0.00 H new ATOM 0 HE1 MET A 92 -9.755 -0.816 6.319 1.00 0.00 H new ATOM 0 HE2 MET A 92 -8.470 -0.623 5.103 1.00 0.00 H new ATOM 0 HE3 MET A 92 -10.059 -1.264 4.624 1.00 0.00 H new ATOM 1465 N LYS A 93 -9.280 -6.001 1.876 1.00 0.00 N ATOM 1466 CA LYS A 93 -10.441 -6.095 1.005 1.00 0.00 C ATOM 1467 C LYS A 93 -11.252 -4.800 0.945 1.00 0.00 C ATOM 1468 O LYS A 93 -11.362 -4.053 1.922 1.00 0.00 O ATOM 1469 CB LYS A 93 -11.315 -7.256 1.462 1.00 0.00 C ATOM 1470 CG LYS A 93 -11.180 -8.473 0.574 1.00 0.00 C ATOM 1471 CD LYS A 93 -11.949 -9.657 1.120 1.00 0.00 C ATOM 1472 CE LYS A 93 -11.856 -10.842 0.179 1.00 0.00 C ATOM 1473 NZ LYS A 93 -12.652 -11.998 0.653 1.00 0.00 N ATOM 0 H LYS A 93 -9.268 -6.702 2.617 1.00 0.00 H new ATOM 0 HA LYS A 93 -10.080 -6.271 -0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -11.049 -7.526 2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -12.357 -6.937 1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.542 -8.235 -0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.127 -8.737 0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -11.555 -9.932 2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.994 -9.382 1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -12.203 -10.546 -0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -10.813 -11.140 0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.558 -12.784 -0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -12.305 -12.299 1.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -13.652 -11.723 0.728 1.00 0.00 H new ATOM 1487 N GLY A 94 -11.825 -4.570 -0.237 1.00 0.00 N ATOM 1488 CA GLY A 94 -12.543 -3.342 -0.542 1.00 0.00 C ATOM 1489 C GLY A 94 -13.727 -3.093 0.356 1.00 0.00 C ATOM 1490 O GLY A 94 -14.094 -1.947 0.607 1.00 0.00 O ATOM 0 H GLY A 94 -11.801 -5.236 -1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.855 -2.500 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.884 -3.379 -1.577 1.00 0.00 H new ATOM 1494 N THR A 95 -14.327 -4.170 0.823 1.00 0.00 N ATOM 1495 CA THR A 95 -15.447 -4.098 1.758 1.00 0.00 C ATOM 1496 C THR A 95 -15.070 -3.319 3.019 1.00 0.00 C ATOM 1497 O THR A 95 -15.924 -2.751 3.694 1.00 0.00 O ATOM 1498 CB THR A 95 -15.951 -5.510 2.148 1.00 0.00 C ATOM 1499 OG1 THR A 95 -16.844 -5.435 3.266 1.00 0.00 O ATOM 1500 CG2 THR A 95 -14.797 -6.440 2.484 1.00 0.00 C ATOM 0 H THR A 95 -14.057 -5.120 0.570 1.00 0.00 H new ATOM 0 HA THR A 95 -16.252 -3.570 1.247 1.00 0.00 H new ATOM 0 HB THR A 95 -16.482 -5.915 1.286 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.326 -5.365 4.095 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.187 -7.422 2.753 1.00 0.00 H new ATOM 0 HG22 THR A 95 -14.142 -6.535 1.618 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.233 -6.032 3.322 1.00 0.00 H new ATOM 1508 N GLU A 96 -13.793 -3.304 3.342 1.00 0.00 N ATOM 1509 CA GLU A 96 -13.317 -2.579 4.507 1.00 0.00 C ATOM 1510 C GLU A 96 -12.665 -1.267 4.085 1.00 0.00 C ATOM 1511 O GLU A 96 -12.777 -0.251 4.770 1.00 0.00 O ATOM 1512 CB GLU A 96 -12.341 -3.442 5.307 1.00 0.00 C ATOM 1513 CG GLU A 96 -12.896 -4.815 5.654 1.00 0.00 C ATOM 1514 CD GLU A 96 -14.279 -4.752 6.277 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -14.382 -4.436 7.480 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -15.272 -5.045 5.576 1.00 0.00 O ATOM 0 H GLU A 96 -13.064 -3.785 2.815 1.00 0.00 H new ATOM 0 HA GLU A 96 -14.168 -2.345 5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.421 -3.564 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.077 -2.921 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.937 -5.424 4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.215 -5.313 6.344 1.00 0.00 H new ATOM 1523 N ALA A 97 -12.002 -1.296 2.932 1.00 0.00 N ATOM 1524 CA ALA A 97 -11.320 -0.122 2.394 1.00 0.00 C ATOM 1525 C ALA A 97 -12.300 1.001 2.082 1.00 0.00 C ATOM 1526 O ALA A 97 -11.926 2.172 2.042 1.00 0.00 O ATOM 1527 CB ALA A 97 -10.536 -0.497 1.149 1.00 0.00 C ATOM 0 H ALA A 97 -11.922 -2.128 2.347 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.630 0.242 3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.032 0.386 0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.795 -1.256 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -11.217 -0.891 0.395 1.00 0.00 H new ATOM 1533 N LYS A 98 -13.556 0.633 1.869 1.00 0.00 N ATOM 1534 CA LYS A 98 -14.612 1.598 1.590 1.00 0.00 C ATOM 1535 C LYS A 98 -14.808 2.550 2.769 1.00 0.00 C ATOM 1536 O LYS A 98 -15.366 3.637 2.617 1.00 0.00 O ATOM 1537 CB LYS A 98 -15.913 0.863 1.268 1.00 0.00 C ATOM 1538 CG LYS A 98 -16.545 0.161 2.456 1.00 0.00 C ATOM 1539 CD LYS A 98 -17.589 -0.843 2.003 1.00 0.00 C ATOM 1540 CE LYS A 98 -18.457 -1.319 3.158 1.00 0.00 C ATOM 1541 NZ LYS A 98 -19.157 -0.194 3.835 1.00 0.00 N ATOM 0 H LYS A 98 -13.871 -0.337 1.884 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.319 2.195 0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.628 1.577 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.717 0.127 0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -15.774 -0.347 3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.005 0.897 3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -18.219 -0.391 1.237 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -17.094 -1.699 1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -19.193 -2.032 2.787 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.837 -1.848 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -20.155 -0.446 3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.706 -0.007 4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -19.100 0.658 3.241 1.00 0.00 H new ATOM 1555 N GLY A 99 -14.334 2.134 3.939 1.00 0.00 N ATOM 1556 CA GLY A 99 -14.423 2.963 5.117 1.00 0.00 C ATOM 1557 C GLY A 99 -13.475 4.143 5.065 1.00 0.00 C ATOM 1558 O GLY A 99 -13.835 5.257 5.445 1.00 0.00 O ATOM 0 H GLY A 99 -13.887 1.229 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.445 3.326 5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.202 2.362 5.999 1.00 0.00 H new ATOM 1562 N LEU A 100 -12.262 3.911 4.577 1.00 0.00 N ATOM 1563 CA LEU A 100 -11.262 4.966 4.514 1.00 0.00 C ATOM 1564 C LEU A 100 -11.133 5.507 3.097 1.00 0.00 C ATOM 1565 O LEU A 100 -10.185 6.226 2.781 1.00 0.00 O ATOM 1566 CB LEU A 100 -9.898 4.482 5.006 1.00 0.00 C ATOM 1567 CG LEU A 100 -9.203 3.446 4.122 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -7.699 3.660 4.148 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -9.528 2.038 4.586 1.00 0.00 C ATOM 0 H LEU A 100 -11.950 3.007 4.222 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.600 5.766 5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.241 5.346 5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.021 4.058 6.003 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.567 3.570 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.215 2.916 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.467 4.659 3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.335 3.559 5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.023 1.317 3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.190 1.906 5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.605 1.878 4.535 1.00 0.00 H new