USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -166:sc= -0.0431 (180deg=-0.277) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 70:sc= -0.847 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= 0.0313 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 158:sc= -0.0111 (180deg=-0.17) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.128 F(o=-1.6,f=-0.13) USER MOD Single : A 26 GLN :FLIP amide:sc=-0.00424 F(o=-0.61,f=-0.0042) USER MOD Single : A 35 LYS NZ :NH3+ -157:sc= -0.0507 (180deg=-0.372) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.601 F(o=-1.4,f=-0.6) USER MOD Single : A 47 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -148:sc= 0.5 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 157:sc= -1.72 (180deg=-2.84) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 1 -4.506 4.449 -9.454 1.00 0.00 N ATOM 64 CA SER A 1 -5.546 4.515 -10.474 1.00 0.00 C ATOM 65 C SER A 1 -5.242 3.556 -11.622 1.00 0.00 C ATOM 66 O SER A 1 -6.151 3.055 -12.283 1.00 0.00 O ATOM 67 CB SER A 1 -5.676 5.943 -11.008 1.00 0.00 C ATOM 68 OG SER A 1 -6.310 5.957 -12.275 1.00 0.00 O ATOM 0 H1 SER A 1 -4.839 4.918 -8.587 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.286 3.454 -9.247 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.650 4.928 -9.799 1.00 0.00 H new ATOM 0 HA SER A 1 -6.490 4.219 -10.016 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.249 6.547 -10.304 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.688 6.397 -11.087 1.00 0.00 H new ATOM 0 HG SER A 1 -6.383 6.881 -12.594 1.00 0.00 H new ATOM 74 N ALA A 2 -3.957 3.307 -11.851 1.00 0.00 N ATOM 75 CA ALA A 2 -3.532 2.407 -12.917 1.00 0.00 C ATOM 76 C ALA A 2 -3.953 0.971 -12.623 1.00 0.00 C ATOM 77 O ALA A 2 -4.124 0.165 -13.538 1.00 0.00 O ATOM 78 CB ALA A 2 -2.025 2.490 -13.107 1.00 0.00 C ATOM 0 H ALA A 2 -3.192 3.715 -11.313 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.021 2.719 -13.840 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.721 1.813 -13.906 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.747 3.510 -13.371 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.525 2.206 -12.181 1.00 0.00 H new ATOM 84 N ASP A 3 -4.117 0.658 -11.343 1.00 0.00 N ATOM 85 CA ASP A 3 -4.518 -0.682 -10.929 1.00 0.00 C ATOM 86 C ASP A 3 -6.009 -0.899 -11.163 1.00 0.00 C ATOM 87 O ASP A 3 -6.426 -1.954 -11.644 1.00 0.00 O ATOM 88 CB ASP A 3 -4.183 -0.904 -9.453 1.00 0.00 C ATOM 89 CG ASP A 3 -3.794 -2.339 -9.158 1.00 0.00 C ATOM 90 OD1 ASP A 3 -2.875 -2.855 -9.828 1.00 0.00 O ATOM 91 OD2 ASP A 3 -4.409 -2.948 -8.257 1.00 0.00 O ATOM 0 H ASP A 3 -3.979 1.313 -10.574 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.965 -1.403 -11.532 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.366 -0.242 -9.165 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.044 -0.631 -8.843 1.00 0.00 H new ATOM 96 N LEU A 4 -6.809 0.104 -10.819 1.00 0.00 N ATOM 97 CA LEU A 4 -8.256 0.023 -10.991 1.00 0.00 C ATOM 98 C LEU A 4 -8.631 0.058 -12.468 1.00 0.00 C ATOM 99 O LEU A 4 -9.530 -0.659 -12.909 1.00 0.00 O ATOM 100 CB LEU A 4 -8.942 1.172 -10.250 1.00 0.00 C ATOM 101 CG LEU A 4 -10.469 1.114 -10.190 1.00 0.00 C ATOM 102 CD1 LEU A 4 -10.944 1.050 -8.747 1.00 0.00 C ATOM 103 CD2 LEU A 4 -11.076 2.315 -10.900 1.00 0.00 C ATOM 0 H LEU A 4 -6.481 0.983 -10.419 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.595 -0.924 -10.572 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.559 1.200 -9.230 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.652 2.109 -10.725 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.800 0.210 -10.700 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.033 1.009 -8.724 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.537 0.159 -8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.603 1.936 -8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.163 2.257 -10.848 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.737 3.232 -10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.763 2.317 -11.944 1.00 0.00 H new ATOM 115 N VAL A 5 -7.936 0.896 -13.231 1.00 0.00 N ATOM 116 CA VAL A 5 -8.194 1.023 -14.660 1.00 0.00 C ATOM 117 C VAL A 5 -7.748 -0.227 -15.412 1.00 0.00 C ATOM 118 O VAL A 5 -8.517 -0.812 -16.174 1.00 0.00 O ATOM 119 CB VAL A 5 -7.475 2.249 -15.254 1.00 0.00 C ATOM 120 CG1 VAL A 5 -7.697 2.323 -16.756 1.00 0.00 C ATOM 121 CG2 VAL A 5 -7.949 3.525 -14.573 1.00 0.00 C ATOM 0 H VAL A 5 -7.189 1.497 -12.883 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.270 1.150 -14.777 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.405 2.143 -15.075 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.182 3.195 -17.157 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.305 1.421 -17.227 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.764 2.405 -16.962 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.431 4.382 -15.004 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.023 3.638 -14.720 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.733 3.470 -13.506 1.00 0.00 H new ATOM 131 N SER A 6 -6.501 -0.630 -15.191 1.00 0.00 N ATOM 132 CA SER A 6 -5.951 -1.809 -15.851 1.00 0.00 C ATOM 133 C SER A 6 -6.754 -3.056 -15.492 1.00 0.00 C ATOM 134 O SER A 6 -7.011 -3.908 -16.343 1.00 0.00 O ATOM 135 CB SER A 6 -4.485 -2.002 -15.458 1.00 0.00 C ATOM 136 OG SER A 6 -3.913 -3.100 -16.146 1.00 0.00 O ATOM 0 H SER A 6 -5.853 -0.158 -14.561 1.00 0.00 H new ATOM 0 HA SER A 6 -6.014 -1.655 -16.928 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.923 -1.096 -15.682 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.412 -2.165 -14.383 1.00 0.00 H new ATOM 0 HG SER A 6 -2.976 -3.201 -15.879 1.00 0.00 H new ATOM 142 N SER A 7 -7.147 -3.155 -14.226 1.00 0.00 N ATOM 143 CA SER A 7 -7.917 -4.299 -13.753 1.00 0.00 C ATOM 144 C SER A 7 -9.329 -4.281 -14.332 1.00 0.00 C ATOM 145 O SER A 7 -9.814 -5.291 -14.844 1.00 0.00 O ATOM 146 CB SER A 7 -7.982 -4.300 -12.224 1.00 0.00 C ATOM 147 OG SER A 7 -8.906 -5.266 -11.753 1.00 0.00 O ATOM 0 H SER A 7 -6.945 -2.457 -13.510 1.00 0.00 H new ATOM 0 HA SER A 7 -7.416 -5.207 -14.090 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.993 -4.508 -11.815 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.272 -3.311 -11.869 1.00 0.00 H new ATOM 0 HG SER A 7 -8.928 -5.248 -10.773 1.00 0.00 H new ATOM 153 N CYS A 8 -9.981 -3.127 -14.248 1.00 0.00 N ATOM 154 CA CYS A 8 -11.337 -2.977 -14.763 1.00 0.00 C ATOM 155 C CYS A 8 -11.384 -3.258 -16.262 1.00 0.00 C ATOM 156 O CYS A 8 -12.302 -3.915 -16.753 1.00 0.00 O ATOM 157 CB CYS A 8 -11.859 -1.567 -14.480 1.00 0.00 C ATOM 158 SG CYS A 8 -12.536 -1.351 -12.817 1.00 0.00 S ATOM 0 H CYS A 8 -9.593 -2.282 -13.828 1.00 0.00 H new ATOM 0 HA CYS A 8 -11.974 -3.702 -14.256 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.047 -0.854 -14.626 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.631 -1.324 -15.210 1.00 0.00 H new ATOM 0 HG CYS A 8 -11.571 -1.394 -11.947 1.00 0.00 H new ATOM 164 N LYS A 9 -10.389 -2.755 -16.984 1.00 0.00 N ATOM 165 CA LYS A 9 -10.316 -2.950 -18.427 1.00 0.00 C ATOM 166 C LYS A 9 -10.129 -4.426 -18.767 1.00 0.00 C ATOM 167 O LYS A 9 -10.899 -4.996 -19.540 1.00 0.00 O ATOM 168 CB LYS A 9 -9.165 -2.131 -19.016 1.00 0.00 C ATOM 169 CG LYS A 9 -8.836 -2.490 -20.455 1.00 0.00 C ATOM 170 CD LYS A 9 -7.491 -3.188 -20.562 1.00 0.00 C ATOM 171 CE LYS A 9 -6.459 -2.307 -21.249 1.00 0.00 C ATOM 172 NZ LYS A 9 -6.573 -2.373 -22.732 1.00 0.00 N ATOM 0 H LYS A 9 -9.621 -2.209 -16.593 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.256 -2.610 -18.862 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.420 -1.072 -18.964 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.276 -2.276 -18.402 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.616 -3.137 -20.857 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.827 -1.586 -21.064 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.138 -3.455 -19.566 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.606 -4.118 -21.119 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.586 -1.275 -20.921 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.458 -2.617 -20.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.853 -1.759 -23.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.427 -3.353 -23.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.519 -2.053 -23.022 1.00 0.00 H new ATOM 186 N ASP A 10 -9.103 -5.037 -18.185 1.00 0.00 N ATOM 187 CA ASP A 10 -8.817 -6.447 -18.425 1.00 0.00 C ATOM 188 C ASP A 10 -10.066 -7.298 -18.216 1.00 0.00 C ATOM 189 O ASP A 10 -10.425 -8.112 -19.066 1.00 0.00 O ATOM 190 CB ASP A 10 -7.697 -6.926 -17.501 1.00 0.00 C ATOM 191 CG ASP A 10 -7.188 -8.304 -17.875 1.00 0.00 C ATOM 192 OD1 ASP A 10 -7.665 -8.858 -18.887 1.00 0.00 O ATOM 193 OD2 ASP A 10 -6.313 -8.829 -17.155 1.00 0.00 O ATOM 0 H ASP A 10 -8.456 -4.578 -17.544 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.494 -6.556 -19.460 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.872 -6.215 -17.536 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.060 -6.942 -16.473 1.00 0.00 H new ATOM 198 N LYS A 11 -10.724 -7.104 -17.077 1.00 0.00 N ATOM 199 CA LYS A 11 -11.932 -7.853 -16.755 1.00 0.00 C ATOM 200 C LYS A 11 -13.072 -7.479 -17.698 1.00 0.00 C ATOM 201 O LYS A 11 -13.651 -8.341 -18.360 1.00 0.00 O ATOM 202 CB LYS A 11 -12.349 -7.589 -15.306 1.00 0.00 C ATOM 203 CG LYS A 11 -11.974 -8.711 -14.352 1.00 0.00 C ATOM 204 CD LYS A 11 -10.634 -8.451 -13.684 1.00 0.00 C ATOM 205 CE LYS A 11 -10.168 -9.656 -12.882 1.00 0.00 C ATOM 206 NZ LYS A 11 -9.203 -10.492 -13.649 1.00 0.00 N ATOM 0 H LYS A 11 -10.440 -6.434 -16.362 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.715 -8.914 -16.878 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.885 -6.663 -14.966 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.428 -7.437 -15.269 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.747 -8.816 -13.591 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.933 -9.654 -14.897 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.890 -8.207 -14.442 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.716 -7.585 -13.027 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.701 -9.318 -11.957 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.030 -10.261 -12.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.290 -11.485 -13.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.410 -10.417 -14.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.235 -10.159 -13.467 1.00 0.00 H new ATOM 220 N LEU A 12 -13.387 -6.190 -17.755 1.00 0.00 N ATOM 221 CA LEU A 12 -14.457 -5.702 -18.619 1.00 0.00 C ATOM 222 C LEU A 12 -14.310 -6.255 -20.033 1.00 0.00 C ATOM 223 O LEU A 12 -15.290 -6.667 -20.654 1.00 0.00 O ATOM 224 CB LEU A 12 -14.453 -4.173 -18.655 1.00 0.00 C ATOM 225 CG LEU A 12 -15.360 -3.523 -19.701 1.00 0.00 C ATOM 226 CD1 LEU A 12 -16.520 -2.806 -19.029 1.00 0.00 C ATOM 227 CD2 LEU A 12 -14.566 -2.560 -20.571 1.00 0.00 C ATOM 0 H LEU A 12 -12.917 -5.464 -17.214 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.406 -6.047 -18.210 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.745 -3.806 -17.671 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.431 -3.836 -18.830 1.00 0.00 H new ATOM 0 HG LEU A 12 -15.766 -4.307 -20.340 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.155 -2.350 -19.789 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -17.104 -3.522 -18.450 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -16.134 -2.032 -18.366 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.227 -2.107 -21.309 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.131 -1.780 -19.946 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.770 -3.102 -21.081 1.00 0.00 H new ATOM 239 N ALA A 13 -13.079 -6.264 -20.535 1.00 0.00 N ATOM 240 CA ALA A 13 -12.804 -6.771 -21.873 1.00 0.00 C ATOM 241 C ALA A 13 -12.990 -8.283 -21.937 1.00 0.00 C ATOM 242 O ALA A 13 -13.508 -8.814 -22.920 1.00 0.00 O ATOM 243 CB ALA A 13 -11.393 -6.393 -22.301 1.00 0.00 C ATOM 0 H ALA A 13 -12.257 -5.926 -20.035 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.516 -6.314 -22.561 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.201 -6.778 -23.302 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.292 -5.308 -22.304 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.674 -6.822 -21.603 1.00 0.00 H new ATOM 249 N TYR A 14 -12.565 -8.972 -20.884 1.00 0.00 N ATOM 250 CA TYR A 14 -12.682 -10.424 -20.822 1.00 0.00 C ATOM 251 C TYR A 14 -14.118 -10.842 -20.521 1.00 0.00 C ATOM 252 O TYR A 14 -14.474 -12.015 -20.640 1.00 0.00 O ATOM 253 CB TYR A 14 -11.741 -10.987 -19.756 1.00 0.00 C ATOM 254 CG TYR A 14 -11.741 -12.498 -19.686 1.00 0.00 C ATOM 255 CD1 TYR A 14 -11.457 -13.265 -20.809 1.00 0.00 C ATOM 256 CD2 TYR A 14 -12.025 -13.157 -18.496 1.00 0.00 C ATOM 257 CE1 TYR A 14 -11.456 -14.645 -20.749 1.00 0.00 C ATOM 258 CE2 TYR A 14 -12.025 -14.537 -18.427 1.00 0.00 C ATOM 259 CZ TYR A 14 -11.741 -15.277 -19.556 1.00 0.00 C ATOM 260 OH TYR A 14 -11.740 -16.651 -19.493 1.00 0.00 O ATOM 0 H TYR A 14 -12.136 -8.548 -20.061 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.401 -10.828 -21.795 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -10.727 -10.641 -19.959 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.026 -10.586 -18.783 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.233 -12.774 -21.745 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.249 -12.581 -17.610 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.233 -15.226 -21.631 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.246 -15.034 -17.494 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.959 -16.937 -18.582 1.00 0.00 H new ATOM 270 N PHE A 15 -14.940 -9.873 -20.132 1.00 0.00 N ATOM 271 CA PHE A 15 -16.338 -10.138 -19.814 1.00 0.00 C ATOM 272 C PHE A 15 -17.248 -9.710 -20.961 1.00 0.00 C ATOM 273 O PHE A 15 -17.085 -8.629 -21.527 1.00 0.00 O ATOM 274 CB PHE A 15 -16.739 -9.408 -18.530 1.00 0.00 C ATOM 275 CG PHE A 15 -16.061 -9.940 -17.300 1.00 0.00 C ATOM 276 CD1 PHE A 15 -15.919 -11.305 -17.107 1.00 0.00 C ATOM 277 CD2 PHE A 15 -15.566 -9.076 -16.337 1.00 0.00 C ATOM 278 CE1 PHE A 15 -15.296 -11.798 -15.977 1.00 0.00 C ATOM 279 CE2 PHE A 15 -14.941 -9.564 -15.205 1.00 0.00 C ATOM 280 CZ PHE A 15 -14.806 -10.926 -15.024 1.00 0.00 C ATOM 0 H PHE A 15 -14.662 -8.897 -20.029 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.453 -11.212 -19.664 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.504 -8.349 -18.635 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -17.819 -9.483 -18.401 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -16.300 -11.991 -17.849 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.670 -8.010 -16.472 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -15.192 -12.864 -15.839 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -14.558 -8.880 -14.462 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.319 -11.309 -14.140 1.00 0.00 H new ATOM 290 N ARG A 16 -18.206 -10.567 -21.300 1.00 0.00 N ATOM 291 CA ARG A 16 -19.142 -10.279 -22.381 1.00 0.00 C ATOM 292 C ARG A 16 -19.796 -8.915 -22.184 1.00 0.00 C ATOM 293 O ARG A 16 -19.610 -8.269 -21.153 1.00 0.00 O ATOM 294 CB ARG A 16 -20.216 -11.366 -22.457 1.00 0.00 C ATOM 295 CG ARG A 16 -20.770 -11.577 -23.856 1.00 0.00 C ATOM 296 CD ARG A 16 -21.001 -13.051 -24.148 1.00 0.00 C ATOM 297 NE ARG A 16 -19.760 -13.745 -24.479 1.00 0.00 N ATOM 298 CZ ARG A 16 -19.716 -14.963 -25.006 1.00 0.00 C ATOM 299 NH1 ARG A 16 -20.840 -15.620 -25.259 1.00 0.00 N ATOM 300 NH2 ARG A 16 -18.547 -15.528 -25.280 1.00 0.00 N ATOM 0 H ARG A 16 -18.354 -11.466 -20.842 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.584 -10.263 -23.317 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -19.797 -12.305 -22.096 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -21.035 -11.104 -21.787 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -21.708 -11.033 -23.963 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.077 -11.164 -24.589 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.461 -13.525 -23.280 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.704 -13.151 -24.975 1.00 0.00 H new ATOM 0 HE ARG A 16 -18.878 -13.268 -24.295 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -21.741 -15.190 -25.049 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -20.804 -16.556 -25.664 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -17.680 -15.027 -25.086 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -18.515 -16.464 -25.685 1.00 0.00 H new ATOM 314 N ILE A 17 -20.562 -8.484 -23.181 1.00 0.00 N ATOM 315 CA ILE A 17 -21.244 -7.197 -23.117 1.00 0.00 C ATOM 316 C ILE A 17 -22.030 -7.055 -21.818 1.00 0.00 C ATOM 317 O ILE A 17 -22.286 -5.944 -21.352 1.00 0.00 O ATOM 318 CB ILE A 17 -22.204 -7.009 -24.307 1.00 0.00 C ATOM 319 CG1 ILE A 17 -21.483 -7.306 -25.623 1.00 0.00 C ATOM 320 CG2 ILE A 17 -22.770 -5.597 -24.313 1.00 0.00 C ATOM 321 CD1 ILE A 17 -21.784 -6.304 -26.716 1.00 0.00 C ATOM 0 H ILE A 17 -20.726 -9.006 -24.042 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.472 -6.429 -23.158 1.00 0.00 H new ATOM 0 HB ILE A 17 -23.032 -7.710 -24.202 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.408 -7.324 -25.443 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.765 -8.301 -25.966 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.446 -5.480 -25.160 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.315 -5.420 -23.386 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -21.955 -4.879 -24.398 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.239 -6.577 -27.620 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -22.854 -6.303 -26.924 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -21.476 -5.310 -26.393 1.00 0.00 H new ATOM 333 N LYS A 18 -22.408 -8.187 -21.235 1.00 0.00 N ATOM 334 CA LYS A 18 -23.162 -8.191 -19.986 1.00 0.00 C ATOM 335 C LYS A 18 -22.535 -7.243 -18.969 1.00 0.00 C ATOM 336 O LYS A 18 -23.217 -6.397 -18.393 1.00 0.00 O ATOM 337 CB LYS A 18 -23.225 -9.607 -19.409 1.00 0.00 C ATOM 338 CG LYS A 18 -24.636 -10.072 -19.093 1.00 0.00 C ATOM 339 CD LYS A 18 -25.209 -9.339 -17.892 1.00 0.00 C ATOM 340 CE LYS A 18 -26.370 -8.440 -18.289 1.00 0.00 C ATOM 341 NZ LYS A 18 -27.538 -9.225 -18.774 1.00 0.00 N ATOM 0 H LYS A 18 -22.205 -9.115 -21.607 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.174 -7.848 -20.200 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -22.773 -10.300 -20.119 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -22.626 -9.647 -18.499 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.277 -9.909 -19.960 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -24.631 -11.144 -18.898 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -25.545 -10.063 -17.149 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -24.428 -8.741 -17.423 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.669 -7.834 -17.434 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -26.046 -7.751 -19.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -28.402 -8.654 -18.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -27.396 -9.478 -19.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.633 -10.092 -18.207 1.00 0.00 H new ATOM 355 N GLU A 19 -21.231 -7.390 -18.755 1.00 0.00 N ATOM 356 CA GLU A 19 -20.512 -6.546 -17.808 1.00 0.00 C ATOM 357 C GLU A 19 -20.690 -5.070 -18.152 1.00 0.00 C ATOM 358 O GLU A 19 -21.110 -4.272 -17.313 1.00 0.00 O ATOM 359 CB GLU A 19 -19.025 -6.904 -17.798 1.00 0.00 C ATOM 360 CG GLU A 19 -18.180 -5.970 -16.948 1.00 0.00 C ATOM 361 CD GLU A 19 -18.733 -5.796 -15.547 1.00 0.00 C ATOM 362 OE1 GLU A 19 -19.419 -6.720 -15.060 1.00 0.00 O ATOM 363 OE2 GLU A 19 -18.481 -4.736 -14.937 1.00 0.00 O ATOM 0 H GLU A 19 -20.651 -8.086 -19.225 1.00 0.00 H new ATOM 0 HA GLU A 19 -20.926 -6.722 -16.815 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -18.908 -7.923 -17.429 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.650 -6.890 -18.821 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.164 -6.359 -16.888 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.120 -4.996 -17.434 1.00 0.00 H new ATOM 370 N LEU A 20 -20.366 -4.714 -19.390 1.00 0.00 N ATOM 371 CA LEU A 20 -20.488 -3.334 -19.846 1.00 0.00 C ATOM 372 C LEU A 20 -21.933 -2.855 -19.752 1.00 0.00 C ATOM 373 O LEU A 20 -22.194 -1.674 -19.522 1.00 0.00 O ATOM 374 CB LEU A 20 -19.990 -3.206 -21.286 1.00 0.00 C ATOM 375 CG LEU A 20 -18.567 -3.700 -21.550 1.00 0.00 C ATOM 376 CD1 LEU A 20 -18.578 -4.860 -22.533 1.00 0.00 C ATOM 377 CD2 LEU A 20 -17.696 -2.565 -22.072 1.00 0.00 C ATOM 0 H LEU A 20 -20.017 -5.362 -20.096 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.874 -2.708 -19.198 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.671 -3.757 -21.935 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -20.049 -2.158 -21.578 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.145 -4.052 -20.609 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.557 -5.198 -22.708 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -19.166 -5.680 -22.121 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.019 -4.534 -23.475 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -16.687 -2.935 -22.254 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.116 -2.182 -23.002 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.661 -1.764 -21.333 1.00 0.00 H new ATOM 389 N LYS A 21 -22.870 -3.781 -19.929 1.00 0.00 N ATOM 390 CA LYS A 21 -24.290 -3.456 -19.861 1.00 0.00 C ATOM 391 C LYS A 21 -24.659 -2.914 -18.483 1.00 0.00 C ATOM 392 O LYS A 21 -25.326 -1.886 -18.368 1.00 0.00 O ATOM 393 CB LYS A 21 -25.133 -4.693 -20.176 1.00 0.00 C ATOM 394 CG LYS A 21 -26.583 -4.375 -20.500 1.00 0.00 C ATOM 395 CD LYS A 21 -26.962 -4.857 -21.891 1.00 0.00 C ATOM 396 CE LYS A 21 -28.095 -4.028 -22.478 1.00 0.00 C ATOM 397 NZ LYS A 21 -27.605 -2.738 -23.038 1.00 0.00 N ATOM 0 H LYS A 21 -22.671 -4.763 -20.121 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.496 -2.685 -20.603 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.688 -5.220 -21.020 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.100 -5.371 -19.323 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.233 -4.844 -19.762 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.745 -3.299 -20.430 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -26.092 -4.802 -22.546 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -27.261 -5.904 -21.846 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -28.594 -4.598 -23.262 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -28.838 -3.830 -21.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -28.406 -2.202 -23.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -27.151 -2.183 -22.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -26.915 -2.927 -23.793 1.00 0.00 H new ATOM 411 N ASP A 22 -24.220 -3.612 -17.442 1.00 0.00 N ATOM 412 CA ASP A 22 -24.501 -3.199 -16.072 1.00 0.00 C ATOM 413 C ASP A 22 -23.834 -1.863 -15.758 1.00 0.00 C ATOM 414 O ASP A 22 -24.432 -0.994 -15.122 1.00 0.00 O ATOM 415 CB ASP A 22 -24.022 -4.266 -15.086 1.00 0.00 C ATOM 416 CG ASP A 22 -25.148 -4.809 -14.228 1.00 0.00 C ATOM 417 OD1 ASP A 22 -25.494 -4.158 -13.221 1.00 0.00 O ATOM 418 OD2 ASP A 22 -25.683 -5.886 -14.565 1.00 0.00 O ATOM 0 H ASP A 22 -23.668 -4.466 -17.520 1.00 0.00 H new ATOM 0 HA ASP A 22 -25.580 -3.079 -15.970 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -23.562 -5.086 -15.638 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.251 -3.842 -14.443 1.00 0.00 H new ATOM 423 N ILE A 23 -22.594 -1.708 -16.208 1.00 0.00 N ATOM 424 CA ILE A 23 -21.846 -0.478 -15.975 1.00 0.00 C ATOM 425 C ILE A 23 -22.517 0.710 -16.656 1.00 0.00 C ATOM 426 O ILE A 23 -22.866 1.696 -16.007 1.00 0.00 O ATOM 427 CB ILE A 23 -20.397 -0.596 -16.483 1.00 0.00 C ATOM 428 CG1 ILE A 23 -19.675 -1.740 -15.768 1.00 0.00 C ATOM 429 CG2 ILE A 23 -19.655 0.717 -16.277 1.00 0.00 C ATOM 430 CD1 ILE A 23 -19.675 -1.607 -14.261 1.00 0.00 C ATOM 0 H ILE A 23 -22.086 -2.418 -16.736 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.832 -0.316 -14.897 1.00 0.00 H new ATOM 0 HB ILE A 23 -20.418 -0.815 -17.551 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -20.147 -2.684 -16.041 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -18.645 -1.785 -16.121 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.632 0.618 -16.641 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -20.161 1.511 -16.827 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.640 0.964 -15.215 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.146 -2.452 -13.821 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -19.177 -0.680 -13.978 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -20.702 -1.593 -13.897 1.00 0.00 H new ATOM 442 N LEU A 24 -22.695 0.609 -17.969 1.00 0.00 N ATOM 443 CA LEU A 24 -23.326 1.675 -18.740 1.00 0.00 C ATOM 444 C LEU A 24 -24.739 1.948 -18.235 1.00 0.00 C ATOM 445 O LEU A 24 -25.218 3.081 -18.283 1.00 0.00 O ATOM 446 CB LEU A 24 -23.365 1.303 -20.223 1.00 0.00 C ATOM 447 CG LEU A 24 -24.753 1.240 -20.863 1.00 0.00 C ATOM 448 CD1 LEU A 24 -24.665 1.512 -22.357 1.00 0.00 C ATOM 449 CD2 LEU A 24 -25.399 -0.112 -20.602 1.00 0.00 C ATOM 0 H LEU A 24 -22.411 -0.200 -18.522 1.00 0.00 H new ATOM 0 HA LEU A 24 -22.734 2.581 -18.614 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -22.765 2.027 -20.775 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -22.886 0.332 -20.346 1.00 0.00 H new ATOM 0 HG LEU A 24 -25.376 2.011 -20.411 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -25.662 1.463 -22.795 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -24.244 2.504 -22.522 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -24.025 0.764 -22.826 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.386 -0.139 -21.064 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -24.777 -0.900 -21.027 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.497 -0.267 -19.528 1.00 0.00 H new ATOM 461 N ASN A 25 -25.401 0.903 -17.749 1.00 0.00 N ATOM 462 CA ASN A 25 -26.760 1.031 -17.233 1.00 0.00 C ATOM 463 C ASN A 25 -26.795 1.952 -16.017 1.00 0.00 C ATOM 464 O ASN A 25 -27.677 2.801 -15.896 1.00 0.00 O ATOM 465 CB ASN A 25 -27.318 -0.344 -16.862 1.00 0.00 C ATOM 466 CG ASN A 25 -28.217 -0.293 -15.642 1.00 0.00 C ATOM 467 OD1 ASN A 25 -27.618 -0.407 -14.462 1.00 0.00 O flip ATOM 468 ND2 ASN A 25 -29.434 -0.152 -15.759 1.00 0.00 N flip ATOM 0 H ASN A 25 -25.019 -0.042 -17.701 1.00 0.00 H new ATOM 0 HA ASN A 25 -27.380 1.468 -18.016 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -27.878 -0.746 -17.706 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -26.492 -1.029 -16.673 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -29.851 -0.068 -16.686 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -30.026 -0.119 -14.929 1.00 0.00 H new ATOM 475 N GLN A 26 -25.829 1.777 -15.121 1.00 0.00 N ATOM 476 CA GLN A 26 -25.751 2.592 -13.914 1.00 0.00 C ATOM 477 C GLN A 26 -25.347 4.023 -14.250 1.00 0.00 C ATOM 478 O GLN A 26 -25.798 4.974 -13.609 1.00 0.00 O ATOM 479 CB GLN A 26 -24.751 1.985 -12.928 1.00 0.00 C ATOM 480 CG GLN A 26 -25.304 0.801 -12.152 1.00 0.00 C ATOM 481 CD GLN A 26 -24.228 0.041 -11.402 1.00 0.00 C ATOM 482 OE1 GLN A 26 -23.199 -0.392 -12.120 1.00 0.00 O flip ATOM 483 NE2 GLN A 26 -24.322 -0.156 -10.190 1.00 0.00 N flip ATOM 0 H GLN A 26 -25.090 1.079 -15.208 1.00 0.00 H new ATOM 0 HA GLN A 26 -26.739 2.611 -13.453 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -23.862 1.668 -13.474 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -24.435 2.755 -12.224 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -26.054 1.154 -11.445 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -25.809 0.124 -12.841 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -25.131 0.195 -9.677 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -23.591 -0.670 -9.699 1.00 0.00 H new ATOM 492 N LEU A 27 -24.494 4.171 -15.258 1.00 0.00 N ATOM 493 CA LEU A 27 -24.029 5.488 -15.679 1.00 0.00 C ATOM 494 C LEU A 27 -25.166 6.296 -16.296 1.00 0.00 C ATOM 495 O LEU A 27 -25.088 7.520 -16.398 1.00 0.00 O ATOM 496 CB LEU A 27 -22.884 5.349 -16.684 1.00 0.00 C ATOM 497 CG LEU A 27 -23.191 5.784 -18.117 1.00 0.00 C ATOM 498 CD1 LEU A 27 -23.022 7.288 -18.265 1.00 0.00 C ATOM 499 CD2 LEU A 27 -22.297 5.046 -19.102 1.00 0.00 C ATOM 0 H LEU A 27 -24.111 3.396 -15.799 1.00 0.00 H new ATOM 0 HA LEU A 27 -23.669 6.017 -14.797 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -22.037 5.932 -16.322 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -22.568 4.306 -16.702 1.00 0.00 H new ATOM 0 HG LEU A 27 -24.228 5.531 -18.339 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.245 7.580 -19.291 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -23.704 7.799 -17.586 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.996 7.564 -18.024 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -22.530 5.368 -20.117 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -21.253 5.267 -18.882 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -22.467 3.973 -19.014 1.00 0.00 H new ATOM 619 N LYS A 35 -19.795 -1.689 -28.191 1.00 0.00 N ATOM 620 CA LYS A 35 -18.658 -2.142 -27.398 1.00 0.00 C ATOM 621 C LYS A 35 -17.573 -1.072 -27.343 1.00 0.00 C ATOM 622 O LYS A 35 -16.823 -0.985 -26.372 1.00 0.00 O ATOM 623 CB LYS A 35 -18.086 -3.435 -27.981 1.00 0.00 C ATOM 624 CG LYS A 35 -18.522 -4.684 -27.235 1.00 0.00 C ATOM 625 CD LYS A 35 -17.950 -4.721 -25.828 1.00 0.00 C ATOM 626 CE LYS A 35 -16.598 -5.417 -25.793 1.00 0.00 C ATOM 627 NZ LYS A 35 -16.716 -6.873 -26.082 1.00 0.00 N ATOM 0 HA LYS A 35 -19.007 -2.333 -26.383 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.392 -3.520 -29.024 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.998 -3.378 -27.971 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.610 -4.719 -27.187 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.198 -5.568 -27.784 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.847 -3.704 -25.450 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.644 -5.239 -25.166 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.933 -4.955 -26.522 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.143 -5.277 -24.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.896 -7.374 -25.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.589 -7.242 -25.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.745 -7.021 -27.111 1.00 0.00 H new ATOM 641 N GLN A 36 -17.496 -0.259 -28.392 1.00 0.00 N ATOM 642 CA GLN A 36 -16.502 0.806 -28.462 1.00 0.00 C ATOM 643 C GLN A 36 -16.833 1.925 -27.480 1.00 0.00 C ATOM 644 O GLN A 36 -15.955 2.429 -26.779 1.00 0.00 O ATOM 645 CB GLN A 36 -16.423 1.366 -29.883 1.00 0.00 C ATOM 646 CG GLN A 36 -15.232 0.850 -30.675 1.00 0.00 C ATOM 647 CD GLN A 36 -13.906 1.261 -30.067 1.00 0.00 C ATOM 648 OE1 GLN A 36 -13.405 0.455 -29.139 1.00 0.00 O flip ATOM 649 NE2 GLN A 36 -13.337 2.292 -30.428 1.00 0.00 N flip ATOM 0 H GLN A 36 -18.110 -0.317 -29.205 1.00 0.00 H new ATOM 0 HA GLN A 36 -15.534 0.384 -28.191 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -17.340 1.113 -30.416 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.372 2.454 -29.834 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.281 -0.238 -30.730 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.290 1.224 -31.697 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.758 2.883 -31.145 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.445 2.555 -30.010 1.00 0.00 H new ATOM 658 N ASP A 37 -18.104 2.308 -27.434 1.00 0.00 N ATOM 659 CA ASP A 37 -18.551 3.368 -26.537 1.00 0.00 C ATOM 660 C ASP A 37 -18.415 2.938 -25.079 1.00 0.00 C ATOM 661 O ASP A 37 -17.932 3.699 -24.239 1.00 0.00 O ATOM 662 CB ASP A 37 -20.003 3.741 -26.838 1.00 0.00 C ATOM 663 CG ASP A 37 -20.137 5.146 -27.393 1.00 0.00 C ATOM 664 OD1 ASP A 37 -19.867 5.335 -28.597 1.00 0.00 O ATOM 665 OD2 ASP A 37 -20.510 6.055 -26.622 1.00 0.00 O ATOM 0 H ASP A 37 -18.843 1.901 -28.007 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.919 4.241 -26.701 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -20.417 3.030 -27.553 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -20.593 3.656 -25.926 1.00 0.00 H new ATOM 670 N LEU A 38 -18.844 1.716 -24.785 1.00 0.00 N ATOM 671 CA LEU A 38 -18.771 1.185 -23.428 1.00 0.00 C ATOM 672 C LEU A 38 -17.325 1.119 -22.946 1.00 0.00 C ATOM 673 O LEU A 38 -16.972 1.717 -21.929 1.00 0.00 O ATOM 674 CB LEU A 38 -19.405 -0.205 -23.369 1.00 0.00 C ATOM 675 CG LEU A 38 -20.882 -0.287 -23.755 1.00 0.00 C ATOM 676 CD1 LEU A 38 -21.354 -1.733 -23.760 1.00 0.00 C ATOM 677 CD2 LEU A 38 -21.729 0.549 -22.806 1.00 0.00 C ATOM 0 H LEU A 38 -19.246 1.074 -25.468 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.323 1.857 -22.771 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -18.841 -0.867 -24.026 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.293 -0.590 -22.356 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.997 0.114 -24.762 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.408 -1.771 -24.037 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.769 -2.304 -24.480 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.225 -2.161 -22.766 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.777 0.479 -23.096 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.608 0.178 -21.788 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -21.409 1.590 -22.853 1.00 0.00 H new ATOM 689 N ILE A 39 -16.494 0.391 -23.684 1.00 0.00 N ATOM 690 CA ILE A 39 -15.086 0.249 -23.334 1.00 0.00 C ATOM 691 C ILE A 39 -14.437 1.610 -23.106 1.00 0.00 C ATOM 692 O ILE A 39 -13.846 1.860 -22.056 1.00 0.00 O ATOM 693 CB ILE A 39 -14.307 -0.502 -24.429 1.00 0.00 C ATOM 694 CG1 ILE A 39 -14.287 -2.003 -24.132 1.00 0.00 C ATOM 695 CG2 ILE A 39 -12.889 0.041 -24.537 1.00 0.00 C ATOM 696 CD1 ILE A 39 -15.589 -2.701 -24.458 1.00 0.00 C ATOM 0 H ILE A 39 -16.771 -0.110 -24.528 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.047 -0.329 -22.411 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.809 -0.346 -25.384 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.483 -2.467 -24.702 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.058 -2.153 -23.077 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.351 -0.500 -25.315 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.923 1.101 -24.789 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.376 -0.089 -23.584 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.502 -3.762 -24.222 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -16.394 -2.263 -23.868 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.810 -2.582 -25.519 1.00 0.00 H new ATOM 708 N ASP A 40 -14.553 2.488 -24.097 1.00 0.00 N ATOM 709 CA ASP A 40 -13.980 3.826 -24.004 1.00 0.00 C ATOM 710 C ASP A 40 -14.599 4.603 -22.847 1.00 0.00 C ATOM 711 O ASP A 40 -13.950 5.456 -22.241 1.00 0.00 O ATOM 712 CB ASP A 40 -14.190 4.585 -25.315 1.00 0.00 C ATOM 713 CG ASP A 40 -13.018 5.484 -25.657 1.00 0.00 C ATOM 714 OD1 ASP A 40 -11.904 4.956 -25.860 1.00 0.00 O ATOM 715 OD2 ASP A 40 -13.215 6.715 -25.723 1.00 0.00 O ATOM 0 H ASP A 40 -15.038 2.297 -24.974 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.911 3.725 -23.819 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.345 3.871 -26.124 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.096 5.186 -25.242 1.00 0.00 H new ATOM 720 N ARG A 41 -15.858 4.303 -22.546 1.00 0.00 N ATOM 721 CA ARG A 41 -16.566 4.975 -21.462 1.00 0.00 C ATOM 722 C ARG A 41 -15.996 4.569 -20.106 1.00 0.00 C ATOM 723 O ARG A 41 -15.642 5.419 -19.290 1.00 0.00 O ATOM 724 CB ARG A 41 -18.059 4.648 -21.519 1.00 0.00 C ATOM 725 CG ARG A 41 -18.872 5.649 -22.323 1.00 0.00 C ATOM 726 CD ARG A 41 -19.104 6.933 -21.542 1.00 0.00 C ATOM 727 NE ARG A 41 -18.210 8.005 -21.973 1.00 0.00 N ATOM 728 CZ ARG A 41 -18.308 9.259 -21.547 1.00 0.00 C ATOM 729 NH1 ARG A 41 -19.255 9.598 -20.684 1.00 0.00 N ATOM 730 NH2 ARG A 41 -17.457 10.178 -21.985 1.00 0.00 N ATOM 0 H ARG A 41 -16.409 3.599 -23.037 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.432 6.050 -21.586 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -18.189 3.656 -21.952 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.452 4.606 -20.503 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -18.353 5.877 -23.254 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.831 5.207 -22.593 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -20.139 7.252 -21.667 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.956 6.743 -20.479 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.470 7.778 -22.637 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -19.911 8.895 -20.345 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -19.327 10.562 -20.359 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.727 9.922 -22.649 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.533 11.141 -21.657 1.00 0.00 H new ATOM 744 N VAL A 42 -15.912 3.263 -19.873 1.00 0.00 N ATOM 745 CA VAL A 42 -15.385 2.743 -18.617 1.00 0.00 C ATOM 746 C VAL A 42 -14.009 3.326 -18.315 1.00 0.00 C ATOM 747 O VAL A 42 -13.789 3.908 -17.251 1.00 0.00 O ATOM 748 CB VAL A 42 -15.284 1.206 -18.644 1.00 0.00 C ATOM 749 CG1 VAL A 42 -14.476 0.703 -17.458 1.00 0.00 C ATOM 750 CG2 VAL A 42 -16.671 0.582 -18.657 1.00 0.00 C ATOM 0 H VAL A 42 -16.202 2.546 -20.538 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.083 3.040 -17.834 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.768 0.909 -19.557 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.416 -0.385 -17.494 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.471 1.124 -17.498 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.961 1.009 -16.531 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.581 -0.504 -18.676 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.215 0.885 -17.762 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.212 0.917 -19.542 1.00 0.00 H new ATOM 760 N LEU A 43 -13.086 3.168 -19.256 1.00 0.00 N ATOM 761 CA LEU A 43 -11.730 3.680 -19.092 1.00 0.00 C ATOM 762 C LEU A 43 -11.738 5.193 -18.898 1.00 0.00 C ATOM 763 O LEU A 43 -10.936 5.736 -18.140 1.00 0.00 O ATOM 764 CB LEU A 43 -10.875 3.314 -20.306 1.00 0.00 C ATOM 765 CG LEU A 43 -10.959 1.861 -20.774 1.00 0.00 C ATOM 766 CD1 LEU A 43 -9.734 1.493 -21.596 1.00 0.00 C ATOM 767 CD2 LEU A 43 -11.105 0.925 -19.583 1.00 0.00 C ATOM 0 H LEU A 43 -13.251 2.689 -20.141 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.300 3.221 -18.202 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.164 3.959 -21.136 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.834 3.540 -20.073 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.841 1.753 -21.406 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.812 0.455 -21.920 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.673 2.142 -22.469 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.838 1.617 -20.989 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.163 -0.105 -19.935 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.243 1.036 -18.925 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.014 1.173 -19.035 1.00 0.00 H new ATOM 779 N ALA A 44 -12.653 5.867 -19.588 1.00 0.00 N ATOM 780 CA ALA A 44 -12.769 7.316 -19.488 1.00 0.00 C ATOM 781 C ALA A 44 -13.149 7.741 -18.074 1.00 0.00 C ATOM 782 O ALA A 44 -12.759 8.814 -17.611 1.00 0.00 O ATOM 783 CB ALA A 44 -13.791 7.834 -20.490 1.00 0.00 C ATOM 0 H ALA A 44 -13.324 5.432 -20.222 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.796 7.750 -19.720 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.868 8.918 -20.404 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.476 7.571 -21.500 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.762 7.384 -20.284 1.00 0.00 H new ATOM 789 N LEU A 45 -13.912 6.894 -17.392 1.00 0.00 N ATOM 790 CA LEU A 45 -14.346 7.182 -16.029 1.00 0.00 C ATOM 791 C LEU A 45 -13.203 6.981 -15.040 1.00 0.00 C ATOM 792 O LEU A 45 -12.919 7.852 -14.217 1.00 0.00 O ATOM 793 CB LEU A 45 -15.528 6.289 -15.650 1.00 0.00 C ATOM 794 CG LEU A 45 -16.721 6.312 -16.606 1.00 0.00 C ATOM 795 CD1 LEU A 45 -17.374 4.941 -16.679 1.00 0.00 C ATOM 796 CD2 LEU A 45 -17.733 7.363 -16.171 1.00 0.00 C ATOM 0 H LEU A 45 -14.243 6.002 -17.760 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.659 8.225 -15.986 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -15.171 5.262 -15.571 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -15.876 6.582 -14.660 1.00 0.00 H new ATOM 0 HG LEU A 45 -16.359 6.573 -17.601 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -18.221 4.977 -17.364 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -16.648 4.211 -17.038 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -17.722 4.650 -15.688 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -18.575 7.365 -16.863 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -18.089 7.132 -15.167 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.260 8.345 -16.171 1.00 0.00 H new ATOM 808 N LEU A 46 -12.549 5.827 -15.126 1.00 0.00 N ATOM 809 CA LEU A 46 -11.435 5.511 -14.240 1.00 0.00 C ATOM 810 C LEU A 46 -10.198 6.325 -14.608 1.00 0.00 C ATOM 811 O LEU A 46 -9.223 6.368 -13.858 1.00 0.00 O ATOM 812 CB LEU A 46 -11.113 4.017 -14.305 1.00 0.00 C ATOM 813 CG LEU A 46 -12.310 3.080 -14.467 1.00 0.00 C ATOM 814 CD1 LEU A 46 -11.880 1.631 -14.299 1.00 0.00 C ATOM 815 CD2 LEU A 46 -13.403 3.433 -13.469 1.00 0.00 C ATOM 0 H LEU A 46 -12.772 5.095 -15.801 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.729 5.769 -13.223 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.430 3.849 -15.137 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.581 3.740 -13.395 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.711 3.204 -15.473 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.745 0.979 -14.418 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.133 1.383 -15.053 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.453 1.491 -13.306 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -14.247 2.756 -13.599 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.014 3.338 -12.455 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.732 4.459 -13.637 1.00 0.00 H new ATOM 827 N THR A 47 -10.247 6.973 -15.768 1.00 0.00 N ATOM 828 CA THR A 47 -9.132 7.788 -16.235 1.00 0.00 C ATOM 829 C THR A 47 -9.454 9.274 -16.130 1.00 0.00 C ATOM 830 O THR A 47 -8.929 9.973 -15.264 1.00 0.00 O ATOM 831 CB THR A 47 -8.766 7.455 -17.694 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.383 6.080 -17.802 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.632 8.343 -18.184 1.00 0.00 C ATOM 0 H THR A 47 -11.047 6.949 -16.401 1.00 0.00 H new ATOM 0 HA THR A 47 -8.282 7.558 -15.593 1.00 0.00 H new ATOM 0 HB THR A 47 -9.643 7.637 -18.315 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.184 5.525 -17.907 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.391 8.089 -19.216 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.938 9.388 -18.129 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.753 8.189 -17.558 1.00 0.00 H new ATOM 841 N ASP A 48 -10.321 9.750 -17.017 1.00 0.00 N ATOM 842 CA ASP A 48 -10.715 11.154 -17.023 1.00 0.00 C ATOM 843 C ASP A 48 -11.471 11.512 -15.747 1.00 0.00 C ATOM 844 O ASP A 48 -11.660 12.687 -15.436 1.00 0.00 O ATOM 845 CB ASP A 48 -11.581 11.458 -18.246 1.00 0.00 C ATOM 846 CG ASP A 48 -10.873 12.345 -19.251 1.00 0.00 C ATOM 847 OD1 ASP A 48 -10.203 13.309 -18.824 1.00 0.00 O ATOM 848 OD2 ASP A 48 -10.988 12.076 -20.465 1.00 0.00 O ATOM 0 H ASP A 48 -10.764 9.184 -17.741 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.810 11.759 -17.069 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.865 10.523 -18.728 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.502 11.943 -17.924 1.00 0.00 H new ATOM 853 N GLU A 49 -11.902 10.489 -15.015 1.00 0.00 N ATOM 854 CA GLU A 49 -12.640 10.697 -13.774 1.00 0.00 C ATOM 855 C GLU A 49 -12.031 9.882 -12.636 1.00 0.00 C ATOM 856 O GLU A 49 -12.711 9.546 -11.668 1.00 0.00 O ATOM 857 CB GLU A 49 -14.110 10.315 -13.959 1.00 0.00 C ATOM 858 CG GLU A 49 -15.054 11.506 -13.948 1.00 0.00 C ATOM 859 CD GLU A 49 -16.265 11.299 -14.836 1.00 0.00 C ATOM 860 OE1 GLU A 49 -16.082 10.884 -16.000 1.00 0.00 O ATOM 861 OE2 GLU A 49 -17.395 11.551 -14.368 1.00 0.00 O ATOM 0 H GLU A 49 -11.753 9.510 -15.259 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.576 11.754 -13.516 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.222 9.782 -14.903 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.400 9.625 -13.167 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.385 11.693 -12.926 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.515 12.395 -14.276 1.00 0.00 H new ATOM 1076 N LEU A 63 -21.924 6.358 -10.725 1.00 0.00 N ATOM 1077 CA LEU A 63 -20.739 6.524 -11.559 1.00 0.00 C ATOM 1078 C LEU A 63 -19.491 6.708 -10.702 1.00 0.00 C ATOM 1079 O LEU A 63 -18.831 7.747 -10.760 1.00 0.00 O ATOM 1080 CB LEU A 63 -20.912 7.723 -12.493 1.00 0.00 C ATOM 1081 CG LEU A 63 -21.639 7.450 -13.810 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -22.890 8.308 -13.917 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -20.714 7.701 -14.992 1.00 0.00 C ATOM 0 HA LEU A 63 -20.617 5.621 -12.157 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -21.455 8.501 -11.956 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -19.925 8.124 -12.723 1.00 0.00 H new ATOM 0 HG LEU A 63 -21.940 6.402 -13.827 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -23.394 8.100 -14.861 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -23.561 8.078 -13.089 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -22.613 9.362 -13.878 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -21.248 7.502 -15.921 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -20.382 8.739 -14.980 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -19.848 7.042 -14.923 1.00 0.00 H new ATOM 1095 N THR A 64 -19.169 5.692 -9.908 1.00 0.00 N ATOM 1096 CA THR A 64 -18.000 5.740 -9.039 1.00 0.00 C ATOM 1097 C THR A 64 -17.158 4.477 -9.179 1.00 0.00 C ATOM 1098 O THR A 64 -17.647 3.439 -9.627 1.00 0.00 O ATOM 1099 CB THR A 64 -18.403 5.914 -7.563 1.00 0.00 C ATOM 1100 OG1 THR A 64 -19.830 5.889 -7.438 1.00 0.00 O ATOM 1101 CG2 THR A 64 -17.864 7.223 -7.005 1.00 0.00 C ATOM 0 H THR A 64 -19.702 4.825 -9.849 1.00 0.00 H new ATOM 0 HA THR A 64 -17.411 6.602 -9.351 1.00 0.00 H new ATOM 0 HB THR A 64 -17.974 5.090 -6.993 1.00 0.00 H new ATOM 0 HG1 THR A 64 -20.078 5.999 -6.496 1.00 0.00 H new ATOM 0 HG21 THR A 64 -18.162 7.324 -5.961 1.00 0.00 H new ATOM 0 HG22 THR A 64 -16.776 7.228 -7.074 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.268 8.057 -7.579 1.00 0.00 H new ATOM 1109 N LYS A 65 -15.891 4.570 -8.791 1.00 0.00 N ATOM 1110 CA LYS A 65 -14.980 3.434 -8.871 1.00 0.00 C ATOM 1111 C LYS A 65 -15.562 2.220 -8.154 1.00 0.00 C ATOM 1112 O LYS A 65 -15.358 1.082 -8.577 1.00 0.00 O ATOM 1113 CB LYS A 65 -13.624 3.798 -8.263 1.00 0.00 C ATOM 1114 CG LYS A 65 -13.011 5.056 -8.852 1.00 0.00 C ATOM 1115 CD LYS A 65 -11.595 5.276 -8.347 1.00 0.00 C ATOM 1116 CE LYS A 65 -11.531 6.419 -7.345 1.00 0.00 C ATOM 1117 NZ LYS A 65 -10.185 6.534 -6.719 1.00 0.00 N ATOM 0 H LYS A 65 -15.471 5.421 -8.418 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.843 3.182 -9.923 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.741 3.930 -7.187 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.935 2.966 -8.408 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.003 4.983 -9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.628 5.917 -8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.228 4.362 -7.881 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.937 5.492 -9.189 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.780 7.355 -7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.280 6.264 -6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.183 7.324 -6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.958 5.650 -6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.473 6.708 -7.457 1.00 0.00 H new ATOM 1131 N GLU A 66 -16.286 2.470 -7.068 1.00 0.00 N ATOM 1132 CA GLU A 66 -16.897 1.396 -6.293 1.00 0.00 C ATOM 1133 C GLU A 66 -17.941 0.653 -7.122 1.00 0.00 C ATOM 1134 O GLU A 66 -18.043 -0.571 -7.060 1.00 0.00 O ATOM 1135 CB GLU A 66 -17.542 1.955 -5.024 1.00 0.00 C ATOM 1136 CG GLU A 66 -16.822 1.553 -3.747 1.00 0.00 C ATOM 1137 CD GLU A 66 -17.631 1.855 -2.501 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -18.877 1.797 -2.575 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -17.020 2.150 -1.453 1.00 0.00 O ATOM 0 H GLU A 66 -16.464 3.406 -6.705 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.112 0.693 -6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.569 3.043 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.576 1.613 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.598 0.487 -3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.868 2.077 -3.692 1.00 0.00 H new ATOM 1146 N ALA A 67 -18.716 1.405 -7.898 1.00 0.00 N ATOM 1147 CA ALA A 67 -19.752 0.819 -8.740 1.00 0.00 C ATOM 1148 C ALA A 67 -19.142 -0.056 -9.830 1.00 0.00 C ATOM 1149 O ALA A 67 -19.506 -1.222 -9.980 1.00 0.00 O ATOM 1150 CB ALA A 67 -20.611 1.913 -9.357 1.00 0.00 C ATOM 0 H ALA A 67 -18.646 2.421 -7.961 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.382 0.188 -8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -21.381 1.462 -9.983 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -21.083 2.495 -8.565 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -19.986 2.567 -9.965 1.00 0.00 H new ATOM 1156 N VAL A 68 -18.213 0.515 -10.591 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.553 -0.213 -11.668 1.00 0.00 C ATOM 1158 C VAL A 68 -16.884 -1.479 -11.145 1.00 0.00 C ATOM 1159 O VAL A 68 -17.004 -2.549 -11.741 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.497 0.660 -12.371 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -15.777 -0.136 -13.448 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -17.142 1.906 -12.958 1.00 0.00 C ATOM 0 H VAL A 68 -17.901 1.480 -10.481 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.326 -0.484 -12.387 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.760 0.974 -11.632 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.035 0.497 -13.934 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.281 -0.995 -12.995 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.498 -0.482 -14.188 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.381 2.512 -13.451 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.901 1.615 -13.684 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.606 2.486 -12.160 1.00 0.00 H new ATOM 1172 N ALA A 69 -16.178 -1.350 -10.026 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.492 -2.485 -9.421 1.00 0.00 C ATOM 1174 C ALA A 69 -16.487 -3.479 -8.832 1.00 0.00 C ATOM 1175 O ALA A 69 -16.210 -4.676 -8.750 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.525 -2.005 -8.348 1.00 0.00 C ATOM 0 H ALA A 69 -16.066 -0.471 -9.521 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.929 -2.996 -10.202 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.019 -2.862 -7.904 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.786 -1.340 -8.795 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.076 -1.469 -7.575 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.647 -2.976 -8.423 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.685 -3.819 -7.842 1.00 0.00 C ATOM 1184 C LYS A 70 -19.198 -4.830 -8.862 1.00 0.00 C ATOM 1185 O LYS A 70 -19.267 -6.027 -8.583 1.00 0.00 O ATOM 1186 CB LYS A 70 -19.843 -2.959 -7.332 1.00 0.00 C ATOM 1187 CG LYS A 70 -21.051 -3.767 -6.889 1.00 0.00 C ATOM 1188 CD LYS A 70 -21.853 -3.033 -5.828 1.00 0.00 C ATOM 1189 CE LYS A 70 -23.025 -2.278 -6.437 1.00 0.00 C ATOM 1190 NZ LYS A 70 -23.469 -1.150 -5.572 1.00 0.00 N ATOM 0 H LYS A 70 -17.892 -1.988 -8.483 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.250 -4.364 -7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.494 -2.354 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -20.147 -2.269 -8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.687 -3.974 -7.750 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.722 -4.730 -6.497 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.222 -3.746 -5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.205 -2.335 -5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.740 -1.894 -7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -23.857 -2.965 -6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -24.269 -0.661 -6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -23.765 -1.519 -4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -22.683 -0.481 -5.443 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.557 -4.341 -10.044 1.00 0.00 N ATOM 1205 CA ILE A 71 -20.062 -5.202 -11.106 1.00 0.00 C ATOM 1206 C ILE A 71 -18.968 -6.126 -11.631 1.00 0.00 C ATOM 1207 O ILE A 71 -19.151 -7.341 -11.709 1.00 0.00 O ATOM 1208 CB ILE A 71 -20.629 -4.379 -12.278 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.475 -3.218 -11.751 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -21.451 -5.266 -13.199 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.571 -3.651 -10.802 1.00 0.00 C ATOM 0 H ILE A 71 -19.507 -3.352 -10.290 1.00 0.00 H new ATOM 0 HA ILE A 71 -20.863 -5.800 -10.672 1.00 0.00 H new ATOM 0 HB ILE A 71 -19.798 -3.968 -12.850 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -20.825 -2.507 -11.242 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -21.923 -2.693 -12.595 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -21.845 -4.670 -14.022 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.820 -6.061 -13.596 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -22.278 -5.704 -12.640 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -23.130 -2.777 -10.469 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -23.244 -4.339 -11.313 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -22.129 -4.150 -9.939 1.00 0.00 H new ATOM 1223 N VAL A 72 -17.829 -5.542 -11.989 1.00 0.00 N ATOM 1224 CA VAL A 72 -16.703 -6.313 -12.504 1.00 0.00 C ATOM 1225 C VAL A 72 -16.326 -7.440 -11.549 1.00 0.00 C ATOM 1226 O VAL A 72 -16.010 -8.550 -11.976 1.00 0.00 O ATOM 1227 CB VAL A 72 -15.471 -5.419 -12.737 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -14.269 -6.260 -13.138 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -15.770 -4.365 -13.793 1.00 0.00 C ATOM 0 H VAL A 72 -17.661 -4.537 -11.932 1.00 0.00 H new ATOM 0 HA VAL A 72 -17.020 -6.738 -13.456 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.232 -4.909 -11.804 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.408 -5.611 -13.298 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.043 -6.973 -12.345 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -14.493 -6.799 -14.058 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -14.889 -3.742 -13.945 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -16.035 -4.854 -14.730 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.601 -3.743 -13.461 1.00 0.00 H new ATOM 1239 N ASP A 73 -16.362 -7.147 -10.253 1.00 0.00 N ATOM 1240 CA ASP A 73 -16.025 -8.136 -9.236 1.00 0.00 C ATOM 1241 C ASP A 73 -17.057 -9.259 -9.208 1.00 0.00 C ATOM 1242 O ASP A 73 -16.705 -10.438 -9.161 1.00 0.00 O ATOM 1243 CB ASP A 73 -15.936 -7.474 -7.860 1.00 0.00 C ATOM 1244 CG ASP A 73 -14.613 -6.767 -7.643 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -13.950 -6.427 -8.645 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -14.240 -6.553 -6.470 1.00 0.00 O ATOM 0 H ASP A 73 -16.621 -6.233 -9.883 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.055 -8.564 -9.488 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -16.750 -6.757 -7.751 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -16.072 -8.230 -7.087 1.00 0.00 H new ATOM 1251 N ASP A 74 -18.331 -8.886 -9.237 1.00 0.00 N ATOM 1252 CA ASP A 74 -19.415 -9.862 -9.215 1.00 0.00 C ATOM 1253 C ASP A 74 -19.303 -10.825 -10.393 1.00 0.00 C ATOM 1254 O ASP A 74 -19.542 -12.025 -10.254 1.00 0.00 O ATOM 1255 CB ASP A 74 -20.769 -9.152 -9.248 1.00 0.00 C ATOM 1256 CG ASP A 74 -21.254 -8.767 -7.864 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -20.415 -8.363 -7.033 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -22.473 -8.871 -7.612 1.00 0.00 O ATOM 0 H ASP A 74 -18.639 -7.914 -9.276 1.00 0.00 H new ATOM 0 HA ASP A 74 -19.336 -10.435 -8.291 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.692 -8.257 -9.865 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -21.506 -9.802 -9.720 1.00 0.00 H new ATOM 1263 N THR A 75 -18.938 -10.291 -11.555 1.00 0.00 N ATOM 1264 CA THR A 75 -18.796 -11.102 -12.758 1.00 0.00 C ATOM 1265 C THR A 75 -17.620 -12.064 -12.637 1.00 0.00 C ATOM 1266 O THR A 75 -17.733 -13.243 -12.972 1.00 0.00 O ATOM 1267 CB THR A 75 -18.600 -10.223 -14.007 1.00 0.00 C ATOM 1268 OG1 THR A 75 -18.793 -8.845 -13.673 1.00 0.00 O ATOM 1269 CG2 THR A 75 -19.570 -10.624 -15.108 1.00 0.00 C ATOM 0 H THR A 75 -18.735 -9.300 -11.688 1.00 0.00 H new ATOM 0 HA THR A 75 -19.718 -11.673 -12.866 1.00 0.00 H new ATOM 0 HB THR A 75 -17.582 -10.368 -14.370 1.00 0.00 H new ATOM 0 HG1 THR A 75 -19.161 -8.369 -14.447 1.00 0.00 H new ATOM 0 HG21 THR A 75 -19.413 -9.989 -15.980 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.400 -11.665 -15.381 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.593 -10.505 -14.752 1.00 0.00 H new ATOM 1277 N TYR A 76 -16.492 -11.554 -12.155 1.00 0.00 N ATOM 1278 CA TYR A 76 -15.294 -12.369 -11.991 1.00 0.00 C ATOM 1279 C TYR A 76 -15.515 -13.460 -10.949 1.00 0.00 C ATOM 1280 O TYR A 76 -14.939 -14.544 -11.037 1.00 0.00 O ATOM 1281 CB TYR A 76 -14.108 -11.493 -11.585 1.00 0.00 C ATOM 1282 CG TYR A 76 -12.772 -12.191 -11.701 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -12.398 -12.828 -12.878 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -11.883 -12.214 -10.633 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -11.179 -13.468 -12.988 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -10.661 -12.850 -10.735 1.00 0.00 C ATOM 1287 CZ TYR A 76 -10.313 -13.476 -11.914 1.00 0.00 C ATOM 1288 OH TYR A 76 -9.098 -14.111 -12.019 1.00 0.00 O ATOM 0 H TYR A 76 -16.382 -10.580 -11.871 1.00 0.00 H new ATOM 0 HA TYR A 76 -15.076 -12.845 -12.947 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.097 -10.599 -12.209 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -14.247 -11.162 -10.556 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.072 -12.823 -13.722 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.152 -11.726 -9.708 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.905 -13.960 -13.910 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.981 -12.857 -9.896 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.609 -14.022 -11.175 1.00 0.00 H new ATOM 1298 N ARG A 77 -16.355 -13.165 -9.962 1.00 0.00 N ATOM 1299 CA ARG A 77 -16.654 -14.120 -8.902 1.00 0.00 C ATOM 1300 C ARG A 77 -17.554 -15.240 -9.415 1.00 0.00 C ATOM 1301 O ARG A 77 -17.307 -16.418 -9.158 1.00 0.00 O ATOM 1302 CB ARG A 77 -17.324 -13.412 -7.723 1.00 0.00 C ATOM 1303 CG ARG A 77 -16.569 -13.562 -6.412 1.00 0.00 C ATOM 1304 CD ARG A 77 -15.990 -12.235 -5.948 1.00 0.00 C ATOM 1305 NE ARG A 77 -15.031 -11.692 -6.906 1.00 0.00 N ATOM 1306 CZ ARG A 77 -14.349 -10.569 -6.708 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -14.521 -9.874 -5.591 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -13.494 -10.138 -7.627 1.00 0.00 N ATOM 0 H ARG A 77 -16.840 -12.272 -9.875 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.714 -14.559 -8.568 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.423 -12.352 -7.956 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -18.332 -13.807 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.239 -13.955 -5.648 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -15.765 -14.288 -6.535 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -16.798 -11.519 -5.799 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -15.502 -12.370 -4.983 1.00 0.00 H new ATOM 0 HE ARG A 77 -14.876 -12.203 -7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.178 -10.202 -4.883 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -13.997 -9.012 -5.441 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -13.359 -10.669 -8.487 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.972 -9.276 -7.473 1.00 0.00 H new ATOM 1322 N LYS A 78 -18.600 -14.864 -10.143 1.00 0.00 N ATOM 1323 CA LYS A 78 -19.538 -15.834 -10.695 1.00 0.00 C ATOM 1324 C LYS A 78 -18.865 -16.698 -11.757 1.00 0.00 C ATOM 1325 O LYS A 78 -19.130 -17.896 -11.855 1.00 0.00 O ATOM 1326 CB LYS A 78 -20.750 -15.119 -11.296 1.00 0.00 C ATOM 1327 CG LYS A 78 -21.752 -16.059 -11.943 1.00 0.00 C ATOM 1328 CD LYS A 78 -21.605 -16.076 -13.455 1.00 0.00 C ATOM 1329 CE LYS A 78 -22.716 -15.287 -14.131 1.00 0.00 C ATOM 1330 NZ LYS A 78 -23.695 -16.180 -14.811 1.00 0.00 N ATOM 0 H LYS A 78 -18.820 -13.893 -10.365 1.00 0.00 H new ATOM 0 HA LYS A 78 -19.872 -16.481 -9.884 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -21.251 -14.551 -10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -20.405 -14.401 -12.040 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.612 -17.067 -11.552 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.764 -15.752 -11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -20.638 -15.656 -13.733 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -21.620 -17.106 -13.812 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -23.233 -14.679 -13.389 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -22.283 -14.601 -14.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -24.436 -15.605 -15.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -23.206 -16.742 -15.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -24.127 -16.818 -14.112 1.00 0.00 H new ATOM 1344 N MET A 79 -17.994 -16.082 -12.549 1.00 0.00 N ATOM 1345 CA MET A 79 -17.281 -16.796 -13.602 1.00 0.00 C ATOM 1346 C MET A 79 -16.143 -17.629 -13.021 1.00 0.00 C ATOM 1347 O MET A 79 -15.938 -18.776 -13.415 1.00 0.00 O ATOM 1348 CB MET A 79 -16.732 -15.810 -14.635 1.00 0.00 C ATOM 1349 CG MET A 79 -15.840 -16.459 -15.681 1.00 0.00 C ATOM 1350 SD MET A 79 -16.447 -16.212 -17.361 1.00 0.00 S ATOM 1351 CE MET A 79 -15.882 -14.543 -17.682 1.00 0.00 C ATOM 0 H MET A 79 -17.765 -15.090 -12.482 1.00 0.00 H new ATOM 0 HA MET A 79 -17.986 -17.468 -14.091 1.00 0.00 H new ATOM 0 HB2 MET A 79 -17.566 -15.319 -15.135 1.00 0.00 H new ATOM 0 HB3 MET A 79 -16.167 -15.033 -14.119 1.00 0.00 H new ATOM 0 HG2 MET A 79 -14.833 -16.050 -15.599 1.00 0.00 H new ATOM 0 HG3 MET A 79 -15.767 -17.528 -15.478 1.00 0.00 H new ATOM 0 HE1 MET A 79 -15.804 -14.386 -18.758 1.00 0.00 H new ATOM 0 HE2 MET A 79 -16.593 -13.831 -17.262 1.00 0.00 H new ATOM 0 HE3 MET A 79 -14.905 -14.395 -17.222 1.00 0.00 H new