USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 541 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 31:sc= 1.26 USER MOD Single : A 20 THR OG1 : rot -110:sc= 0.719 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 27 GLN : amide:sc= -2.35! C(o=-2.3!,f=-17!) USER MOD Single : A 44 THR OG1 : rot 13:sc= -1.16 USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0272 (180deg=-0.288) USER MOD Single : A 53 LYS NZ :NH3+ 134:sc= 0.919 (180deg=-0.567) USER MOD Single : A 60 LYS NZ :NH3+ 140:sc= -1.96! (180deg=-4.49!) USER MOD Single : A 65 SER OG : rot -103:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.247 20.156 4.903 1.00 0.00 N ATOM 2 CA MET A 1 -22.533 19.692 6.112 1.00 0.00 C ATOM 3 C MET A 1 -21.449 20.700 6.483 1.00 0.00 C ATOM 4 O MET A 1 -21.575 21.425 7.468 1.00 0.00 O ATOM 5 CB MET A 1 -21.926 18.310 5.842 1.00 0.00 C ATOM 6 CG MET A 1 -21.369 17.609 7.069 1.00 0.00 C ATOM 7 SD MET A 1 -20.718 15.974 6.680 1.00 0.00 S ATOM 8 CE MET A 1 -20.297 15.388 8.317 1.00 0.00 C ATOM 0 H1 MET A 1 -23.986 19.469 4.651 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.684 21.081 5.091 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.574 20.246 4.115 1.00 0.00 H new ATOM 0 HA MET A 1 -23.227 19.611 6.948 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.689 17.675 5.393 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.128 18.416 5.108 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.578 18.219 7.506 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.153 17.517 7.820 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.879 14.384 8.248 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.562 16.057 8.765 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.193 15.366 8.937 1.00 0.00 H new ATOM 20 N PHE A 2 -20.399 20.749 5.663 1.00 0.00 N ATOM 21 CA PHE A 2 -19.318 21.724 5.808 1.00 0.00 C ATOM 22 C PHE A 2 -18.246 21.434 4.761 1.00 0.00 C ATOM 23 O PHE A 2 -18.170 22.111 3.736 1.00 0.00 O ATOM 24 CB PHE A 2 -18.705 21.697 7.221 1.00 0.00 C ATOM 25 CG PHE A 2 -17.914 22.932 7.560 1.00 0.00 C ATOM 26 CD1 PHE A 2 -16.576 23.034 7.216 1.00 0.00 C ATOM 27 CD2 PHE A 2 -18.518 23.993 8.217 1.00 0.00 C ATOM 28 CE1 PHE A 2 -15.854 24.172 7.521 1.00 0.00 C ATOM 29 CE2 PHE A 2 -17.801 25.133 8.522 1.00 0.00 C ATOM 30 CZ PHE A 2 -16.468 25.223 8.174 1.00 0.00 C ATOM 0 H PHE A 2 -20.274 20.111 4.877 1.00 0.00 H new ATOM 0 HA PHE A 2 -19.730 22.722 5.657 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -19.504 21.576 7.952 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -18.057 20.825 7.310 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -16.092 22.215 6.704 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -19.560 23.927 8.493 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -14.811 24.240 7.249 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -18.283 25.954 9.033 1.00 0.00 H new ATOM 0 HZ PHE A 2 -15.906 26.114 8.412 1.00 0.00 H new ATOM 40 N ARG A 3 -17.432 20.416 5.030 1.00 0.00 N ATOM 41 CA ARG A 3 -16.423 19.935 4.083 1.00 0.00 C ATOM 42 C ARG A 3 -15.745 18.687 4.647 1.00 0.00 C ATOM 43 O ARG A 3 -14.633 18.327 4.252 1.00 0.00 O ATOM 44 CB ARG A 3 -15.371 21.018 3.802 1.00 0.00 C ATOM 45 CG ARG A 3 -14.436 21.300 4.969 1.00 0.00 C ATOM 46 CD ARG A 3 -13.398 22.342 4.596 1.00 0.00 C ATOM 47 NE ARG A 3 -12.347 22.471 5.604 1.00 0.00 N ATOM 48 CZ ARG A 3 -11.494 23.493 5.656 1.00 0.00 C ATOM 49 NH1 ARG A 3 -11.586 24.481 4.775 1.00 0.00 N ATOM 50 NH2 ARG A 3 -10.552 23.530 6.592 1.00 0.00 N ATOM 0 H ARG A 3 -17.451 19.900 5.910 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.919 19.690 3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.776 20.716 2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.881 21.942 3.529 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.013 21.647 5.826 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.939 20.379 5.272 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.949 22.076 3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.888 23.306 4.461 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.262 21.737 6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.310 24.458 4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.932 25.263 4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.480 22.775 7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.900 24.314 6.629 1.00 0.00 H new ATOM 64 N GLU A 4 -16.443 18.018 5.551 1.00 0.00 N ATOM 65 CA GLU A 4 -15.860 16.933 6.323 1.00 0.00 C ATOM 66 C GLU A 4 -16.163 15.583 5.676 1.00 0.00 C ATOM 67 O GLU A 4 -17.328 15.237 5.460 1.00 0.00 O ATOM 68 CB GLU A 4 -16.391 17.004 7.759 1.00 0.00 C ATOM 69 CG GLU A 4 -15.755 16.014 8.721 1.00 0.00 C ATOM 70 CD GLU A 4 -15.967 16.407 10.171 1.00 0.00 C ATOM 71 OE1 GLU A 4 -17.082 16.203 10.703 1.00 0.00 O ATOM 72 OE2 GLU A 4 -15.020 16.945 10.784 1.00 0.00 O ATOM 0 H GLU A 4 -17.421 18.210 5.769 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.775 17.038 6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.234 18.013 8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.467 16.834 7.743 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.175 15.023 8.550 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.686 15.947 8.517 1.00 0.00 H new ATOM 79 N GLU A 5 -15.098 14.843 5.359 1.00 0.00 N ATOM 80 CA GLU A 5 -15.204 13.539 4.700 1.00 0.00 C ATOM 81 C GLU A 5 -15.725 13.676 3.269 1.00 0.00 C ATOM 82 O GLU A 5 -15.810 14.784 2.733 1.00 0.00 O ATOM 83 CB GLU A 5 -16.097 12.581 5.497 1.00 0.00 C ATOM 84 CG GLU A 5 -15.459 12.057 6.769 1.00 0.00 C ATOM 85 CD GLU A 5 -16.326 11.029 7.458 1.00 0.00 C ATOM 86 OE1 GLU A 5 -16.597 9.970 6.853 1.00 0.00 O ATOM 87 OE2 GLU A 5 -16.752 11.276 8.606 1.00 0.00 O ATOM 0 H GLU A 5 -14.139 15.131 5.552 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.199 13.120 4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.025 13.093 5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.364 11.736 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.491 11.615 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.272 12.888 7.449 1.00 0.00 H new ATOM 94 N SER A 6 -16.043 12.530 2.656 1.00 0.00 N ATOM 95 CA SER A 6 -16.554 12.473 1.287 1.00 0.00 C ATOM 96 C SER A 6 -15.494 12.933 0.283 1.00 0.00 C ATOM 97 O SER A 6 -15.815 13.395 -0.815 1.00 0.00 O ATOM 98 CB SER A 6 -17.827 13.318 1.155 1.00 0.00 C ATOM 99 OG SER A 6 -18.821 12.886 2.075 1.00 0.00 O ATOM 0 H SER A 6 -15.952 11.616 3.099 1.00 0.00 H new ATOM 0 HA SER A 6 -16.801 11.436 1.061 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.592 14.367 1.334 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.212 13.246 0.138 1.00 0.00 H new ATOM 0 HG SER A 6 -19.623 13.440 1.974 1.00 0.00 H new ATOM 105 N ARG A 7 -14.229 12.770 0.649 1.00 0.00 N ATOM 106 CA ARG A 7 -13.127 13.200 -0.196 1.00 0.00 C ATOM 107 C ARG A 7 -12.440 11.992 -0.832 1.00 0.00 C ATOM 108 O ARG A 7 -12.501 10.883 -0.302 1.00 0.00 O ATOM 109 CB ARG A 7 -12.150 14.040 0.629 1.00 0.00 C ATOM 110 CG ARG A 7 -12.809 15.275 1.229 1.00 0.00 C ATOM 111 CD ARG A 7 -11.865 16.065 2.120 1.00 0.00 C ATOM 112 NE ARG A 7 -10.711 16.569 1.385 1.00 0.00 N ATOM 113 CZ ARG A 7 -10.718 17.679 0.648 1.00 0.00 C ATOM 114 NH1 ARG A 7 -11.822 18.413 0.551 1.00 0.00 N ATOM 115 NH2 ARG A 7 -9.614 18.060 0.021 1.00 0.00 N ATOM 0 H ARG A 7 -13.942 12.341 1.529 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.508 13.819 -1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.735 13.428 1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -11.316 14.347 -0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -13.168 15.918 0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -13.681 14.972 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -12.403 16.901 2.567 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.524 15.431 2.939 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.842 16.037 1.438 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -12.669 18.127 1.042 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.822 19.262 -0.015 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.763 17.504 0.104 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.616 18.909 -0.544 1.00 0.00 H new ATOM 129 N SER A 8 -11.782 12.215 -1.963 1.00 0.00 N ATOM 130 CA SER A 8 -11.246 11.132 -2.787 1.00 0.00 C ATOM 131 C SER A 8 -9.890 10.624 -2.285 1.00 0.00 C ATOM 132 O SER A 8 -9.043 10.201 -3.074 1.00 0.00 O ATOM 133 CB SER A 8 -11.112 11.623 -4.228 1.00 0.00 C ATOM 134 OG SER A 8 -12.320 12.219 -4.675 1.00 0.00 O ATOM 0 H SER A 8 -11.604 13.147 -2.336 1.00 0.00 H new ATOM 0 HA SER A 8 -11.941 10.294 -2.727 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.299 12.345 -4.296 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.852 10.788 -4.878 1.00 0.00 H new ATOM 0 HG SER A 8 -12.210 12.527 -5.599 1.00 0.00 H new ATOM 140 N VAL A 9 -9.702 10.639 -0.976 1.00 0.00 N ATOM 141 CA VAL A 9 -8.467 10.164 -0.369 1.00 0.00 C ATOM 142 C VAL A 9 -8.768 9.183 0.765 1.00 0.00 C ATOM 143 O VAL A 9 -9.149 9.583 1.862 1.00 0.00 O ATOM 144 CB VAL A 9 -7.599 11.331 0.150 1.00 0.00 C ATOM 145 CG1 VAL A 9 -6.814 11.958 -0.993 1.00 0.00 C ATOM 146 CG2 VAL A 9 -8.461 12.384 0.833 1.00 0.00 C ATOM 0 H VAL A 9 -10.394 10.978 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.900 9.647 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.897 10.932 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.207 12.779 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.165 11.207 -1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.506 12.338 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.828 13.196 1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.188 12.776 0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.985 11.934 1.676 1.00 0.00 H new ATOM 156 N PRO A 10 -8.625 7.877 0.494 1.00 0.00 N ATOM 157 CA PRO A 10 -8.960 6.818 1.454 1.00 0.00 C ATOM 158 C PRO A 10 -7.977 6.719 2.622 1.00 0.00 C ATOM 159 O PRO A 10 -8.358 6.334 3.725 1.00 0.00 O ATOM 160 CB PRO A 10 -8.907 5.531 0.616 1.00 0.00 C ATOM 161 CG PRO A 10 -8.824 5.977 -0.807 1.00 0.00 C ATOM 162 CD PRO A 10 -8.157 7.320 -0.780 1.00 0.00 C ATOM 0 HA PRO A 10 -9.927 7.011 1.919 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.044 4.923 0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.793 4.918 0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.251 5.269 -1.405 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.816 6.043 -1.254 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.071 7.235 -0.812 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.453 7.938 -1.627 1.00 0.00 H new ATOM 170 N VAL A 11 -6.719 7.068 2.381 1.00 0.00 N ATOM 171 CA VAL A 11 -5.682 6.913 3.395 1.00 0.00 C ATOM 172 C VAL A 11 -5.003 8.242 3.706 1.00 0.00 C ATOM 173 O VAL A 11 -4.883 9.111 2.838 1.00 0.00 O ATOM 174 CB VAL A 11 -4.612 5.879 2.972 1.00 0.00 C ATOM 175 CG1 VAL A 11 -5.214 4.484 2.901 1.00 0.00 C ATOM 176 CG2 VAL A 11 -3.990 6.256 1.635 1.00 0.00 C ATOM 0 H VAL A 11 -6.393 7.458 1.497 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.182 6.550 4.293 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.826 5.880 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.446 3.771 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.605 4.206 3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.023 4.474 2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.241 5.513 1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.765 6.290 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.518 7.235 1.717 1.00 0.00 H new ATOM 186 N GLU A 12 -4.573 8.391 4.951 1.00 0.00 N ATOM 187 CA GLU A 12 -3.885 9.596 5.392 1.00 0.00 C ATOM 188 C GLU A 12 -2.383 9.347 5.478 1.00 0.00 C ATOM 189 O GLU A 12 -1.930 8.201 5.516 1.00 0.00 O ATOM 190 CB GLU A 12 -4.396 10.047 6.765 1.00 0.00 C ATOM 191 CG GLU A 12 -5.909 10.133 6.872 1.00 0.00 C ATOM 192 CD GLU A 12 -6.527 11.056 5.845 1.00 0.00 C ATOM 193 OE1 GLU A 12 -6.293 12.283 5.919 1.00 0.00 O ATOM 194 OE2 GLU A 12 -7.272 10.565 4.973 1.00 0.00 O ATOM 0 H GLU A 12 -4.690 7.686 5.679 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.086 10.380 4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.029 9.354 7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.971 11.024 6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.332 9.135 6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.177 10.479 7.870 1.00 0.00 H new ATOM 201 N GLU A 13 -1.621 10.426 5.500 1.00 0.00 N ATOM 202 CA GLU A 13 -0.176 10.354 5.629 1.00 0.00 C ATOM 203 C GLU A 13 0.232 9.801 6.995 1.00 0.00 C ATOM 204 O GLU A 13 -0.113 10.368 8.035 1.00 0.00 O ATOM 205 CB GLU A 13 0.453 11.739 5.419 1.00 0.00 C ATOM 206 CG GLU A 13 0.071 12.409 4.104 1.00 0.00 C ATOM 207 CD GLU A 13 -1.174 13.277 4.210 1.00 0.00 C ATOM 208 OE1 GLU A 13 -2.249 12.756 4.568 1.00 0.00 O ATOM 209 OE2 GLU A 13 -1.082 14.490 3.931 1.00 0.00 O ATOM 0 H GLU A 13 -1.986 11.376 5.429 1.00 0.00 H new ATOM 0 HA GLU A 13 0.191 9.674 4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.157 12.388 6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.538 11.643 5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.905 13.022 3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.093 11.642 3.347 1.00 0.00 H new ATOM 216 N GLY A 14 0.941 8.682 6.981 1.00 0.00 N ATOM 217 CA GLY A 14 1.509 8.128 8.194 1.00 0.00 C ATOM 218 C GLY A 14 0.657 7.032 8.805 1.00 0.00 C ATOM 219 O GLY A 14 0.829 6.689 9.974 1.00 0.00 O ATOM 0 H GLY A 14 1.135 8.141 6.139 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.500 7.730 7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.641 8.927 8.924 1.00 0.00 H new ATOM 223 N GLU A 15 -0.242 6.456 8.019 1.00 0.00 N ATOM 224 CA GLU A 15 -1.145 5.438 8.552 1.00 0.00 C ATOM 225 C GLU A 15 -0.571 4.044 8.358 1.00 0.00 C ATOM 226 O GLU A 15 0.376 3.858 7.608 1.00 0.00 O ATOM 227 CB GLU A 15 -2.525 5.514 7.900 1.00 0.00 C ATOM 228 CG GLU A 15 -3.255 6.817 8.151 1.00 0.00 C ATOM 229 CD GLU A 15 -4.739 6.707 7.865 1.00 0.00 C ATOM 230 OE1 GLU A 15 -5.110 6.447 6.701 1.00 0.00 O ATOM 231 OE2 GLU A 15 -5.541 6.888 8.808 1.00 0.00 O ATOM 0 H GLU A 15 -0.367 6.668 7.029 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.252 5.636 9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.416 5.372 6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.136 4.690 8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.108 7.120 9.188 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.824 7.599 7.526 1.00 0.00 H new ATOM 238 N VAL A 16 -1.154 3.067 9.034 1.00 0.00 N ATOM 239 CA VAL A 16 -0.702 1.686 8.929 1.00 0.00 C ATOM 240 C VAL A 16 -1.888 0.761 8.679 1.00 0.00 C ATOM 241 O VAL A 16 -2.889 0.809 9.392 1.00 0.00 O ATOM 242 CB VAL A 16 0.081 1.242 10.190 1.00 0.00 C ATOM 243 CG1 VAL A 16 -0.758 1.400 11.453 1.00 0.00 C ATOM 244 CG2 VAL A 16 0.571 -0.193 10.046 1.00 0.00 C ATOM 0 H VAL A 16 -1.944 3.204 9.664 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.019 1.622 8.082 1.00 0.00 H new ATOM 0 HB VAL A 16 0.949 1.895 10.285 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.177 1.079 12.318 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.041 2.446 11.573 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.656 0.788 11.372 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.118 -0.482 10.943 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.283 -0.857 9.911 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.229 -0.268 9.180 1.00 0.00 H new ATOM 254 N TYR A 17 -1.784 -0.049 7.635 1.00 0.00 N ATOM 255 CA TYR A 17 -2.879 -0.926 7.239 1.00 0.00 C ATOM 256 C TYR A 17 -2.410 -2.360 7.041 1.00 0.00 C ATOM 257 O TYR A 17 -1.319 -2.604 6.517 1.00 0.00 O ATOM 258 CB TYR A 17 -3.528 -0.416 5.944 1.00 0.00 C ATOM 259 CG TYR A 17 -4.347 0.839 6.129 1.00 0.00 C ATOM 260 CD1 TYR A 17 -3.737 2.074 6.289 1.00 0.00 C ATOM 261 CD2 TYR A 17 -5.733 0.782 6.167 1.00 0.00 C ATOM 262 CE1 TYR A 17 -4.483 3.216 6.477 1.00 0.00 C ATOM 263 CE2 TYR A 17 -6.486 1.919 6.360 1.00 0.00 C ATOM 264 CZ TYR A 17 -5.859 3.135 6.514 1.00 0.00 C ATOM 265 OH TYR A 17 -6.613 4.267 6.728 1.00 0.00 O ATOM 0 H TYR A 17 -0.954 -0.118 7.047 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.611 -0.916 8.046 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.747 -0.225 5.208 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.167 -1.199 5.535 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.659 2.141 6.266 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.229 -0.169 6.043 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.993 4.171 6.595 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.564 1.857 6.390 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.147 5.045 6.358 1.00 0.00 H new ATOM 275 N ASP A 18 -3.243 -3.304 7.471 1.00 0.00 N ATOM 276 CA ASP A 18 -3.019 -4.719 7.193 1.00 0.00 C ATOM 277 C ASP A 18 -3.488 -5.010 5.774 1.00 0.00 C ATOM 278 O ASP A 18 -4.660 -5.317 5.549 1.00 0.00 O ATOM 279 CB ASP A 18 -3.787 -5.620 8.176 1.00 0.00 C ATOM 280 CG ASP A 18 -3.273 -5.547 9.603 1.00 0.00 C ATOM 281 OD1 ASP A 18 -3.566 -4.551 10.297 1.00 0.00 O ATOM 282 OD2 ASP A 18 -2.594 -6.501 10.048 1.00 0.00 O ATOM 0 H ASP A 18 -4.084 -3.113 8.016 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.956 -4.933 7.307 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.840 -5.340 8.164 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.728 -6.652 7.831 1.00 0.00 H new ATOM 287 N VAL A 19 -2.591 -4.880 4.816 1.00 0.00 N ATOM 288 CA VAL A 19 -2.971 -4.966 3.415 1.00 0.00 C ATOM 289 C VAL A 19 -2.557 -6.291 2.801 1.00 0.00 C ATOM 290 O VAL A 19 -1.563 -6.899 3.198 1.00 0.00 O ATOM 291 CB VAL A 19 -2.364 -3.816 2.580 1.00 0.00 C ATOM 292 CG1 VAL A 19 -2.857 -2.474 3.088 1.00 0.00 C ATOM 293 CG2 VAL A 19 -0.844 -3.873 2.603 1.00 0.00 C ATOM 0 H VAL A 19 -1.598 -4.715 4.978 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.058 -4.884 3.393 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.691 -3.935 1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.420 -1.675 2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.943 -2.433 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.562 -2.349 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.440 -3.054 2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.492 -3.783 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.509 -4.823 2.186 1.00 0.00 H new ATOM 303 N THR A 20 -3.340 -6.740 1.845 1.00 0.00 N ATOM 304 CA THR A 20 -3.000 -7.913 1.077 1.00 0.00 C ATOM 305 C THR A 20 -2.452 -7.487 -0.276 1.00 0.00 C ATOM 306 O THR A 20 -3.099 -6.719 -0.991 1.00 0.00 O ATOM 307 CB THR A 20 -4.237 -8.805 0.866 1.00 0.00 C ATOM 308 OG1 THR A 20 -4.880 -9.051 2.125 1.00 0.00 O ATOM 309 CG2 THR A 20 -3.853 -10.122 0.207 1.00 0.00 C ATOM 0 H THR A 20 -4.224 -6.305 1.581 1.00 0.00 H new ATOM 0 HA THR A 20 -2.249 -8.482 1.624 1.00 0.00 H new ATOM 0 HB THR A 20 -4.929 -8.284 0.204 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.759 -9.991 2.376 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.745 -10.734 0.069 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.395 -9.924 -0.762 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.143 -10.653 0.841 1.00 0.00 H new ATOM 317 N ILE A 21 -1.256 -7.947 -0.617 1.00 0.00 N ATOM 318 CA ILE A 21 -0.709 -7.676 -1.937 1.00 0.00 C ATOM 319 C ILE A 21 -1.491 -8.470 -2.975 1.00 0.00 C ATOM 320 O ILE A 21 -1.170 -9.621 -3.265 1.00 0.00 O ATOM 321 CB ILE A 21 0.794 -8.028 -2.043 1.00 0.00 C ATOM 322 CG1 ILE A 21 1.601 -7.316 -0.952 1.00 0.00 C ATOM 323 CG2 ILE A 21 1.331 -7.656 -3.419 1.00 0.00 C ATOM 324 CD1 ILE A 21 1.436 -5.811 -0.949 1.00 0.00 C ATOM 0 H ILE A 21 -0.654 -8.501 -0.008 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.803 -6.605 -2.117 1.00 0.00 H new ATOM 0 HB ILE A 21 0.900 -9.104 -1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.301 -7.706 0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.657 -7.556 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.389 -7.910 -3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.783 -8.206 -4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.205 -6.586 -3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.038 -5.381 -0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.764 -5.407 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.387 -5.560 -0.789 1.00 0.00 H new ATOM 336 N GLN A 22 -2.554 -7.863 -3.481 1.00 0.00 N ATOM 337 CA GLN A 22 -3.447 -8.527 -4.415 1.00 0.00 C ATOM 338 C GLN A 22 -2.891 -8.473 -5.825 1.00 0.00 C ATOM 339 O GLN A 22 -3.086 -9.396 -6.617 1.00 0.00 O ATOM 340 CB GLN A 22 -4.833 -7.881 -4.365 1.00 0.00 C ATOM 341 CG GLN A 22 -5.489 -7.972 -2.998 1.00 0.00 C ATOM 342 CD GLN A 22 -6.824 -7.257 -2.935 1.00 0.00 C ATOM 343 OE1 GLN A 22 -7.048 -6.267 -3.628 1.00 0.00 O ATOM 344 NE2 GLN A 22 -7.720 -7.758 -2.099 1.00 0.00 N ATOM 0 H GLN A 22 -2.819 -6.904 -3.257 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.533 -9.574 -4.124 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.748 -6.833 -4.651 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.477 -8.361 -5.102 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.632 -9.021 -2.738 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.819 -7.547 -2.250 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.493 -8.582 -1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.637 -7.320 -2.012 1.00 0.00 H new ATOM 353 N ASP A 23 -2.195 -7.391 -6.134 1.00 0.00 N ATOM 354 CA ASP A 23 -1.598 -7.225 -7.450 1.00 0.00 C ATOM 355 C ASP A 23 -0.132 -6.866 -7.330 1.00 0.00 C ATOM 356 O ASP A 23 0.359 -6.580 -6.240 1.00 0.00 O ATOM 357 CB ASP A 23 -2.319 -6.139 -8.252 1.00 0.00 C ATOM 358 CG ASP A 23 -3.633 -6.609 -8.835 1.00 0.00 C ATOM 359 OD1 ASP A 23 -4.666 -6.529 -8.137 1.00 0.00 O ATOM 360 OD2 ASP A 23 -3.641 -7.055 -10.000 1.00 0.00 O ATOM 0 H ASP A 23 -2.029 -6.615 -5.493 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.697 -8.175 -7.975 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.501 -5.279 -7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.670 -5.800 -9.060 1.00 0.00 H new ATOM 365 N ILE A 24 0.557 -6.878 -8.453 1.00 0.00 N ATOM 366 CA ILE A 24 1.950 -6.492 -8.504 1.00 0.00 C ATOM 367 C ILE A 24 2.211 -5.854 -9.857 1.00 0.00 C ATOM 368 O ILE A 24 1.520 -6.163 -10.832 1.00 0.00 O ATOM 369 CB ILE A 24 2.890 -7.707 -8.267 1.00 0.00 C ATOM 370 CG1 ILE A 24 4.225 -7.254 -7.673 1.00 0.00 C ATOM 371 CG2 ILE A 24 3.134 -8.480 -9.560 1.00 0.00 C ATOM 372 CD1 ILE A 24 5.066 -8.391 -7.123 1.00 0.00 C ATOM 0 H ILE A 24 0.167 -7.155 -9.354 1.00 0.00 H new ATOM 0 HA ILE A 24 2.161 -5.780 -7.707 1.00 0.00 H new ATOM 0 HB ILE A 24 2.394 -8.370 -7.558 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.795 -6.731 -8.441 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.033 -6.537 -6.875 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.795 -9.323 -9.360 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.184 -8.847 -9.949 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.597 -7.822 -10.295 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.997 -7.993 -6.719 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.516 -8.901 -6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.290 -9.097 -7.922 1.00 0.00 H new ATOM 384 N ALA A 25 3.153 -4.939 -9.914 1.00 0.00 N ATOM 385 CA ALA A 25 3.449 -4.265 -11.159 1.00 0.00 C ATOM 386 C ALA A 25 4.640 -4.920 -11.853 1.00 0.00 C ATOM 387 O ALA A 25 5.270 -5.826 -11.301 1.00 0.00 O ATOM 388 CB ALA A 25 3.676 -2.785 -10.911 1.00 0.00 C ATOM 0 H ALA A 25 3.723 -4.646 -9.120 1.00 0.00 H new ATOM 0 HA ALA A 25 2.595 -4.359 -11.830 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.898 -2.288 -11.855 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.779 -2.348 -10.473 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.514 -2.655 -10.227 1.00 0.00 H new ATOM 394 N ARG A 26 4.950 -4.456 -13.056 1.00 0.00 N ATOM 395 CA ARG A 26 5.939 -5.114 -13.905 1.00 0.00 C ATOM 396 C ARG A 26 7.368 -4.947 -13.395 1.00 0.00 C ATOM 397 O ARG A 26 8.241 -5.747 -13.731 1.00 0.00 O ATOM 398 CB ARG A 26 5.820 -4.608 -15.343 1.00 0.00 C ATOM 399 CG ARG A 26 4.878 -5.444 -16.194 1.00 0.00 C ATOM 400 CD ARG A 26 4.514 -4.740 -17.491 1.00 0.00 C ATOM 401 NE ARG A 26 3.499 -3.711 -17.281 1.00 0.00 N ATOM 402 CZ ARG A 26 3.427 -2.576 -17.974 1.00 0.00 C ATOM 403 NH1 ARG A 26 4.314 -2.311 -18.928 1.00 0.00 N ATOM 404 NH2 ARG A 26 2.453 -1.706 -17.724 1.00 0.00 N ATOM 0 H ARG A 26 4.530 -3.623 -13.469 1.00 0.00 H new ATOM 0 HA ARG A 26 5.722 -6.182 -13.875 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.469 -3.576 -15.331 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.808 -4.604 -15.803 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.346 -6.402 -16.420 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.971 -5.657 -15.629 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.407 -4.288 -17.922 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.147 -5.471 -18.211 1.00 0.00 H new ATOM 0 HE ARG A 26 2.800 -3.872 -16.556 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.057 -2.979 -19.134 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.252 -1.439 -19.454 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.762 -1.908 -17.002 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.397 -0.837 -18.254 1.00 0.00 H new ATOM 418 N GLN A 27 7.623 -3.925 -12.584 1.00 0.00 N ATOM 419 CA GLN A 27 8.959 -3.746 -12.022 1.00 0.00 C ATOM 420 C GLN A 27 9.149 -4.669 -10.817 1.00 0.00 C ATOM 421 O GLN A 27 10.274 -4.934 -10.394 1.00 0.00 O ATOM 422 CB GLN A 27 9.241 -2.277 -11.653 1.00 0.00 C ATOM 423 CG GLN A 27 8.645 -1.817 -10.330 1.00 0.00 C ATOM 424 CD GLN A 27 7.137 -1.787 -10.340 1.00 0.00 C ATOM 425 OE1 GLN A 27 6.490 -2.777 -10.018 1.00 0.00 O ATOM 426 NE2 GLN A 27 6.569 -0.652 -10.713 1.00 0.00 N ATOM 0 H GLN A 27 6.939 -3.221 -12.305 1.00 0.00 H new ATOM 0 HA GLN A 27 9.684 -4.018 -12.789 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.320 -2.128 -11.619 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.856 -1.639 -12.448 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.984 -2.481 -9.535 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.021 -0.821 -10.096 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.148 0.147 -10.973 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.552 -0.576 -10.741 1.00 0.00 H new ATOM 435 N GLY A 28 8.036 -5.166 -10.284 1.00 0.00 N ATOM 436 CA GLY A 28 8.087 -6.142 -9.214 1.00 0.00 C ATOM 437 C GLY A 28 7.764 -5.558 -7.852 1.00 0.00 C ATOM 438 O GLY A 28 8.115 -6.139 -6.827 1.00 0.00 O ATOM 0 H GLY A 28 7.094 -4.907 -10.578 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.385 -6.947 -9.432 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.082 -6.586 -9.184 1.00 0.00 H new ATOM 442 N ASP A 29 7.103 -4.409 -7.834 1.00 0.00 N ATOM 443 CA ASP A 29 6.662 -3.812 -6.581 1.00 0.00 C ATOM 444 C ASP A 29 5.190 -4.114 -6.353 1.00 0.00 C ATOM 445 O ASP A 29 4.403 -4.168 -7.305 1.00 0.00 O ATOM 446 CB ASP A 29 6.915 -2.301 -6.558 1.00 0.00 C ATOM 447 CG ASP A 29 8.388 -1.968 -6.420 1.00 0.00 C ATOM 448 OD1 ASP A 29 9.048 -2.530 -5.521 1.00 0.00 O ATOM 449 OD2 ASP A 29 8.902 -1.148 -7.213 1.00 0.00 O ATOM 0 H ASP A 29 6.861 -3.874 -8.668 1.00 0.00 H new ATOM 0 HA ASP A 29 7.245 -4.252 -5.771 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.528 -1.856 -7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.364 -1.855 -5.730 1.00 0.00 H new ATOM 454 N GLY A 30 4.827 -4.309 -5.092 1.00 0.00 N ATOM 455 CA GLY A 30 3.499 -4.774 -4.761 1.00 0.00 C ATOM 456 C GLY A 30 2.443 -3.706 -4.920 1.00 0.00 C ATOM 457 O GLY A 30 2.672 -2.538 -4.601 1.00 0.00 O ATOM 0 H GLY A 30 5.436 -4.151 -4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.248 -5.623 -5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.492 -5.134 -3.732 1.00 0.00 H new ATOM 461 N ILE A 31 1.285 -4.111 -5.414 1.00 0.00 N ATOM 462 CA ILE A 31 0.170 -3.205 -5.602 1.00 0.00 C ATOM 463 C ILE A 31 -0.913 -3.484 -4.568 1.00 0.00 C ATOM 464 O ILE A 31 -1.639 -4.483 -4.655 1.00 0.00 O ATOM 465 CB ILE A 31 -0.432 -3.326 -7.022 1.00 0.00 C ATOM 466 CG1 ILE A 31 0.623 -2.985 -8.082 1.00 0.00 C ATOM 467 CG2 ILE A 31 -1.654 -2.428 -7.177 1.00 0.00 C ATOM 468 CD1 ILE A 31 1.214 -1.598 -7.934 1.00 0.00 C ATOM 0 H ILE A 31 1.094 -5.073 -5.694 1.00 0.00 H new ATOM 0 HA ILE A 31 0.548 -2.190 -5.477 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.751 -4.358 -7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.427 -3.719 -8.030 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.173 -3.074 -9.071 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.057 -2.533 -8.184 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.413 -2.718 -6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.367 -1.390 -7.007 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.951 -1.431 -8.719 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.422 -0.854 -8.016 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.695 -1.509 -6.960 1.00 0.00 H new ATOM 480 N ALA A 32 -0.993 -2.613 -3.576 1.00 0.00 N ATOM 481 CA ALA A 32 -2.031 -2.696 -2.566 1.00 0.00 C ATOM 482 C ALA A 32 -3.164 -1.747 -2.919 1.00 0.00 C ATOM 483 O ALA A 32 -3.091 -0.547 -2.658 1.00 0.00 O ATOM 484 CB ALA A 32 -1.463 -2.374 -1.191 1.00 0.00 C ATOM 0 H ALA A 32 -0.345 -1.835 -3.450 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.422 -3.713 -2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.255 -2.441 -0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.674 -3.086 -0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.052 -1.364 -1.194 1.00 0.00 H new ATOM 490 N ARG A 33 -4.197 -2.280 -3.547 1.00 0.00 N ATOM 491 CA ARG A 33 -5.299 -1.460 -4.013 1.00 0.00 C ATOM 492 C ARG A 33 -6.448 -1.449 -3.009 1.00 0.00 C ATOM 493 O ARG A 33 -7.306 -2.331 -3.010 1.00 0.00 O ATOM 494 CB ARG A 33 -5.776 -1.935 -5.392 1.00 0.00 C ATOM 495 CG ARG A 33 -5.982 -3.442 -5.497 1.00 0.00 C ATOM 496 CD ARG A 33 -6.514 -3.840 -6.866 1.00 0.00 C ATOM 497 NE ARG A 33 -6.702 -5.285 -6.984 1.00 0.00 N ATOM 498 CZ ARG A 33 -7.886 -5.892 -6.901 1.00 0.00 C ATOM 499 NH1 ARG A 33 -8.994 -5.174 -6.750 1.00 0.00 N ATOM 500 NH2 ARG A 33 -7.964 -7.214 -6.994 1.00 0.00 N ATOM 0 H ARG A 33 -4.295 -3.276 -3.745 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.940 -0.435 -4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.714 -1.434 -5.632 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.048 -1.626 -6.142 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.037 -3.953 -5.310 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.679 -3.769 -4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.463 -3.335 -7.046 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.821 -3.501 -7.636 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.877 -5.864 -7.139 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.939 -4.157 -6.697 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.899 -5.640 -6.687 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.117 -7.767 -7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.871 -7.677 -6.930 1.00 0.00 H new ATOM 514 N ILE A 34 -6.456 -0.442 -2.148 1.00 0.00 N ATOM 515 CA ILE A 34 -7.516 -0.291 -1.164 1.00 0.00 C ATOM 516 C ILE A 34 -8.678 0.475 -1.767 1.00 0.00 C ATOM 517 O ILE A 34 -8.556 1.654 -2.103 1.00 0.00 O ATOM 518 CB ILE A 34 -7.029 0.430 0.109 1.00 0.00 C ATOM 519 CG1 ILE A 34 -5.965 -0.409 0.815 1.00 0.00 C ATOM 520 CG2 ILE A 34 -8.199 0.715 1.049 1.00 0.00 C ATOM 521 CD1 ILE A 34 -5.471 0.209 2.102 1.00 0.00 C ATOM 0 H ILE A 34 -5.739 0.283 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.837 -1.292 -0.877 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.587 1.383 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.374 -1.397 1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.120 -0.553 0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.834 1.224 1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.927 1.349 0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.673 -0.224 1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.718 -0.438 2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.033 1.185 1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.306 0.327 2.793 1.00 0.00 H new ATOM 533 N GLU A 35 -9.793 -0.225 -1.914 1.00 0.00 N ATOM 534 CA GLU A 35 -10.997 0.318 -2.543 1.00 0.00 C ATOM 535 C GLU A 35 -10.708 0.863 -3.943 1.00 0.00 C ATOM 536 O GLU A 35 -11.435 1.716 -4.452 1.00 0.00 O ATOM 537 CB GLU A 35 -11.616 1.405 -1.661 1.00 0.00 C ATOM 538 CG GLU A 35 -12.185 0.870 -0.359 1.00 0.00 C ATOM 539 CD GLU A 35 -13.188 -0.241 -0.591 1.00 0.00 C ATOM 540 OE1 GLU A 35 -14.345 0.064 -0.953 1.00 0.00 O ATOM 541 OE2 GLU A 35 -12.822 -1.422 -0.426 1.00 0.00 O ATOM 0 H GLU A 35 -9.893 -1.190 -1.600 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.711 -0.499 -2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.859 2.156 -1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.408 1.907 -2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.373 0.500 0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.664 1.682 0.188 1.00 0.00 H new ATOM 548 N GLY A 36 -9.656 0.353 -4.563 1.00 0.00 N ATOM 549 CA GLY A 36 -9.296 0.787 -5.898 1.00 0.00 C ATOM 550 C GLY A 36 -8.127 1.751 -5.899 1.00 0.00 C ATOM 551 O GLY A 36 -7.488 1.957 -6.930 1.00 0.00 O ATOM 0 H GLY A 36 -9.042 -0.357 -4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.046 -0.083 -6.504 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.157 1.264 -6.366 1.00 0.00 H new ATOM 555 N PHE A 37 -7.844 2.342 -4.746 1.00 0.00 N ATOM 556 CA PHE A 37 -6.739 3.282 -4.627 1.00 0.00 C ATOM 557 C PHE A 37 -5.416 2.529 -4.595 1.00 0.00 C ATOM 558 O PHE A 37 -5.196 1.677 -3.735 1.00 0.00 O ATOM 559 CB PHE A 37 -6.898 4.139 -3.370 1.00 0.00 C ATOM 560 CG PHE A 37 -5.927 5.281 -3.289 1.00 0.00 C ATOM 561 CD1 PHE A 37 -5.909 6.256 -4.272 1.00 0.00 C ATOM 562 CD2 PHE A 37 -5.045 5.388 -2.229 1.00 0.00 C ATOM 563 CE1 PHE A 37 -5.029 7.316 -4.201 1.00 0.00 C ATOM 564 CE2 PHE A 37 -4.159 6.446 -2.153 1.00 0.00 C ATOM 565 CZ PHE A 37 -4.151 7.411 -3.141 1.00 0.00 C ATOM 0 H PHE A 37 -8.363 2.187 -3.882 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.746 3.943 -5.494 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.913 4.534 -3.337 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.774 3.506 -2.492 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.593 6.186 -5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.049 4.637 -1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.027 8.070 -4.974 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.473 6.518 -1.322 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.459 8.238 -3.084 1.00 0.00 H new ATOM 575 N VAL A 38 -4.544 2.841 -5.539 1.00 0.00 N ATOM 576 CA VAL A 38 -3.302 2.100 -5.712 1.00 0.00 C ATOM 577 C VAL A 38 -2.206 2.588 -4.767 1.00 0.00 C ATOM 578 O VAL A 38 -1.835 3.765 -4.772 1.00 0.00 O ATOM 579 CB VAL A 38 -2.799 2.196 -7.169 1.00 0.00 C ATOM 580 CG1 VAL A 38 -1.508 1.409 -7.358 1.00 0.00 C ATOM 581 CG2 VAL A 38 -3.866 1.711 -8.139 1.00 0.00 C ATOM 0 H VAL A 38 -4.673 3.606 -6.201 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.525 1.060 -5.472 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.589 3.244 -7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.178 1.495 -8.393 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.738 1.808 -6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.683 0.360 -7.119 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.491 1.787 -9.160 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.112 0.672 -7.919 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.760 2.326 -8.034 1.00 0.00 H new ATOM 591 N ILE A 39 -1.705 1.672 -3.951 1.00 0.00 N ATOM 592 CA ILE A 39 -0.584 1.945 -3.071 1.00 0.00 C ATOM 593 C ILE A 39 0.599 1.061 -3.461 1.00 0.00 C ATOM 594 O ILE A 39 0.456 -0.157 -3.578 1.00 0.00 O ATOM 595 CB ILE A 39 -0.955 1.680 -1.596 1.00 0.00 C ATOM 596 CG1 ILE A 39 -2.248 2.416 -1.234 1.00 0.00 C ATOM 597 CG2 ILE A 39 0.180 2.111 -0.677 1.00 0.00 C ATOM 598 CD1 ILE A 39 -2.775 2.084 0.144 1.00 0.00 C ATOM 0 H ILE A 39 -2.065 0.720 -3.882 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.317 2.997 -3.176 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.117 0.610 -1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.073 3.490 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.012 2.174 -1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.097 1.918 0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.081 1.548 -0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.370 3.176 -0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.692 2.644 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.983 1.016 0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.030 2.353 0.893 1.00 0.00 H new ATOM 610 N PHE A 40 1.751 1.675 -3.686 1.00 0.00 N ATOM 611 CA PHE A 40 2.949 0.938 -4.074 1.00 0.00 C ATOM 612 C PHE A 40 3.763 0.534 -2.855 1.00 0.00 C ATOM 613 O PHE A 40 4.122 1.375 -2.028 1.00 0.00 O ATOM 614 CB PHE A 40 3.820 1.768 -5.022 1.00 0.00 C ATOM 615 CG PHE A 40 3.277 1.874 -6.419 1.00 0.00 C ATOM 616 CD1 PHE A 40 2.244 2.746 -6.714 1.00 0.00 C ATOM 617 CD2 PHE A 40 3.811 1.103 -7.441 1.00 0.00 C ATOM 618 CE1 PHE A 40 1.750 2.847 -7.999 1.00 0.00 C ATOM 619 CE2 PHE A 40 3.321 1.200 -8.729 1.00 0.00 C ATOM 620 CZ PHE A 40 2.289 2.073 -9.008 1.00 0.00 C ATOM 0 H PHE A 40 1.884 2.683 -3.607 1.00 0.00 H new ATOM 0 HA PHE A 40 2.622 0.036 -4.592 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.933 2.771 -4.610 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.816 1.327 -5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.819 3.355 -5.930 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.619 0.419 -7.227 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.943 3.531 -8.215 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.745 0.594 -9.516 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.903 2.151 -10.014 1.00 0.00 H new ATOM 630 N VAL A 41 4.038 -0.759 -2.748 1.00 0.00 N ATOM 631 CA VAL A 41 4.877 -1.281 -1.681 1.00 0.00 C ATOM 632 C VAL A 41 6.105 -1.964 -2.280 1.00 0.00 C ATOM 633 O VAL A 41 5.995 -3.002 -2.936 1.00 0.00 O ATOM 634 CB VAL A 41 4.119 -2.281 -0.782 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.935 -2.607 0.459 1.00 0.00 C ATOM 636 CG2 VAL A 41 2.751 -1.736 -0.398 1.00 0.00 C ATOM 0 H VAL A 41 3.689 -1.469 -3.392 1.00 0.00 H new ATOM 0 HA VAL A 41 5.179 -0.439 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 41 3.969 -3.201 -1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.385 -3.313 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.887 -3.049 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.119 -1.693 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.236 -2.458 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.872 -0.799 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.163 -1.560 -1.299 1.00 0.00 H new ATOM 646 N PRO A 42 7.288 -1.377 -2.077 1.00 0.00 N ATOM 647 CA PRO A 42 8.522 -1.850 -2.706 1.00 0.00 C ATOM 648 C PRO A 42 8.995 -3.208 -2.185 1.00 0.00 C ATOM 649 O PRO A 42 9.357 -3.349 -1.015 1.00 0.00 O ATOM 650 CB PRO A 42 9.541 -0.761 -2.356 1.00 0.00 C ATOM 651 CG PRO A 42 9.014 -0.125 -1.116 1.00 0.00 C ATOM 652 CD PRO A 42 7.516 -0.201 -1.218 1.00 0.00 C ATOM 0 HA PRO A 42 8.381 -2.007 -3.776 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.532 -1.185 -2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.635 -0.034 -3.163 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.372 -0.646 -0.228 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.348 0.909 -1.035 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.053 -0.323 -0.239 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.097 0.704 -1.658 1.00 0.00 H new ATOM 660 N GLY A 43 8.985 -4.208 -3.066 1.00 0.00 N ATOM 661 CA GLY A 43 9.598 -5.488 -2.747 1.00 0.00 C ATOM 662 C GLY A 43 8.627 -6.559 -2.279 1.00 0.00 C ATOM 663 O GLY A 43 9.046 -7.681 -1.994 1.00 0.00 O ATOM 0 H GLY A 43 8.564 -4.154 -3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.123 -5.854 -3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.348 -5.333 -1.971 1.00 0.00 H new ATOM 667 N THR A 44 7.341 -6.248 -2.210 1.00 0.00 N ATOM 668 CA THR A 44 6.366 -7.215 -1.711 1.00 0.00 C ATOM 669 C THR A 44 5.813 -8.095 -2.828 1.00 0.00 C ATOM 670 O THR A 44 5.516 -7.613 -3.922 1.00 0.00 O ATOM 671 CB THR A 44 5.203 -6.516 -0.995 1.00 0.00 C ATOM 672 OG1 THR A 44 4.735 -5.417 -1.788 1.00 0.00 O ATOM 673 CG2 THR A 44 5.630 -6.030 0.382 1.00 0.00 C ATOM 0 H THR A 44 6.949 -5.348 -2.488 1.00 0.00 H new ATOM 0 HA THR A 44 6.897 -7.848 -1.000 1.00 0.00 H new ATOM 0 HB THR A 44 4.393 -7.233 -0.865 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.114 -5.479 -2.690 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.789 -5.538 0.871 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.953 -6.880 0.984 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.454 -5.324 0.279 1.00 0.00 H new ATOM 681 N LYS A 45 5.675 -9.382 -2.531 1.00 0.00 N ATOM 682 CA LYS A 45 5.177 -10.367 -3.488 1.00 0.00 C ATOM 683 C LYS A 45 3.658 -10.532 -3.365 1.00 0.00 C ATOM 684 O LYS A 45 3.082 -10.257 -2.310 1.00 0.00 O ATOM 685 CB LYS A 45 5.884 -11.704 -3.229 1.00 0.00 C ATOM 686 CG LYS A 45 5.466 -12.837 -4.146 1.00 0.00 C ATOM 687 CD LYS A 45 4.866 -13.993 -3.363 1.00 0.00 C ATOM 688 CE LYS A 45 4.591 -15.187 -4.258 1.00 0.00 C ATOM 689 NZ LYS A 45 5.846 -15.775 -4.795 1.00 0.00 N ATOM 0 H LYS A 45 5.905 -9.774 -1.618 1.00 0.00 H new ATOM 0 HA LYS A 45 5.389 -10.026 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.959 -11.555 -3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.697 -12.003 -2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.739 -12.471 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.330 -13.188 -4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.547 -14.285 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.939 -13.671 -2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.046 -15.945 -3.695 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.950 -14.881 -5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.652 -16.726 -5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.213 -15.171 -5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.552 -15.840 -4.034 1.00 0.00 H new ATOM 703 N VAL A 46 3.017 -10.977 -4.447 1.00 0.00 N ATOM 704 CA VAL A 46 1.571 -11.187 -4.458 1.00 0.00 C ATOM 705 C VAL A 46 1.172 -12.289 -3.481 1.00 0.00 C ATOM 706 O VAL A 46 1.724 -13.391 -3.505 1.00 0.00 O ATOM 707 CB VAL A 46 1.056 -11.550 -5.871 1.00 0.00 C ATOM 708 CG1 VAL A 46 -0.447 -11.807 -5.860 1.00 0.00 C ATOM 709 CG2 VAL A 46 1.397 -10.450 -6.861 1.00 0.00 C ATOM 0 H VAL A 46 3.479 -11.199 -5.329 1.00 0.00 H new ATOM 0 HA VAL A 46 1.114 -10.246 -4.151 1.00 0.00 H new ATOM 0 HB VAL A 46 1.554 -12.468 -6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.780 -12.060 -6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.670 -12.634 -5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.967 -10.911 -5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.027 -10.723 -7.849 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.931 -9.517 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.478 -10.319 -6.902 1.00 0.00 H new ATOM 719 N GLY A 47 0.212 -11.980 -2.625 1.00 0.00 N ATOM 720 CA GLY A 47 -0.243 -12.937 -1.641 1.00 0.00 C ATOM 721 C GLY A 47 0.252 -12.606 -0.249 1.00 0.00 C ATOM 722 O GLY A 47 -0.284 -13.100 0.744 1.00 0.00 O ATOM 0 H GLY A 47 -0.263 -11.078 -2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.333 -12.964 -1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.101 -13.933 -1.920 1.00 0.00 H new ATOM 726 N ASP A 48 1.277 -11.766 -0.176 1.00 0.00 N ATOM 727 CA ASP A 48 1.823 -11.341 1.104 1.00 0.00 C ATOM 728 C ASP A 48 0.856 -10.405 1.809 1.00 0.00 C ATOM 729 O ASP A 48 0.558 -9.313 1.318 1.00 0.00 O ATOM 730 CB ASP A 48 3.177 -10.647 0.917 1.00 0.00 C ATOM 731 CG ASP A 48 4.345 -11.615 0.912 1.00 0.00 C ATOM 732 OD1 ASP A 48 4.509 -12.362 -0.078 1.00 0.00 O ATOM 733 OD2 ASP A 48 5.116 -11.623 1.897 1.00 0.00 O ATOM 0 H ASP A 48 1.746 -11.366 -0.989 1.00 0.00 H new ATOM 0 HA ASP A 48 1.970 -12.229 1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.168 -10.093 -0.021 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.319 -9.919 1.716 1.00 0.00 H new ATOM 738 N GLU A 49 0.340 -10.847 2.943 1.00 0.00 N ATOM 739 CA GLU A 49 -0.517 -10.007 3.760 1.00 0.00 C ATOM 740 C GLU A 49 0.307 -9.383 4.869 1.00 0.00 C ATOM 741 O GLU A 49 0.582 -10.014 5.892 1.00 0.00 O ATOM 742 CB GLU A 49 -1.687 -10.803 4.334 1.00 0.00 C ATOM 743 CG GLU A 49 -2.569 -11.412 3.263 1.00 0.00 C ATOM 744 CD GLU A 49 -3.861 -11.964 3.816 1.00 0.00 C ATOM 745 OE1 GLU A 49 -3.888 -13.147 4.221 1.00 0.00 O ATOM 746 OE2 GLU A 49 -4.862 -11.217 3.836 1.00 0.00 O ATOM 0 H GLU A 49 0.500 -11.782 3.318 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.938 -9.219 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.301 -11.597 4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.289 -10.150 4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.794 -10.656 2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.024 -12.210 2.760 1.00 0.00 H new ATOM 753 N VAL A 50 0.722 -8.152 4.642 1.00 0.00 N ATOM 754 CA VAL A 50 1.640 -7.471 5.534 1.00 0.00 C ATOM 755 C VAL A 50 1.092 -6.113 5.938 1.00 0.00 C ATOM 756 O VAL A 50 0.129 -5.618 5.349 1.00 0.00 O ATOM 757 CB VAL A 50 3.024 -7.285 4.873 1.00 0.00 C ATOM 758 CG1 VAL A 50 3.721 -8.625 4.687 1.00 0.00 C ATOM 759 CG2 VAL A 50 2.891 -6.566 3.539 1.00 0.00 C ATOM 0 H VAL A 50 0.433 -7.597 3.836 1.00 0.00 H new ATOM 0 HA VAL A 50 1.752 -8.093 6.422 1.00 0.00 H new ATOM 0 HB VAL A 50 3.634 -6.672 5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.693 -8.468 4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.858 -9.102 5.658 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.112 -9.267 4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.877 -6.445 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.258 -7.151 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.442 -5.585 3.697 1.00 0.00 H new ATOM 769 N ARG A 51 1.704 -5.515 6.940 1.00 0.00 N ATOM 770 CA ARG A 51 1.288 -4.209 7.405 1.00 0.00 C ATOM 771 C ARG A 51 2.210 -3.144 6.844 1.00 0.00 C ATOM 772 O ARG A 51 3.423 -3.179 7.051 1.00 0.00 O ATOM 773 CB ARG A 51 1.276 -4.174 8.929 1.00 0.00 C ATOM 774 CG ARG A 51 0.357 -5.221 9.520 1.00 0.00 C ATOM 775 CD ARG A 51 0.482 -5.304 11.027 1.00 0.00 C ATOM 776 NE ARG A 51 -0.252 -6.450 11.556 1.00 0.00 N ATOM 777 CZ ARG A 51 0.246 -7.302 12.449 1.00 0.00 C ATOM 778 NH1 ARG A 51 1.477 -7.131 12.914 1.00 0.00 N ATOM 779 NH2 ARG A 51 -0.477 -8.335 12.870 1.00 0.00 N ATOM 0 H ARG A 51 2.493 -5.914 7.448 1.00 0.00 H new ATOM 0 HA ARG A 51 0.276 -4.007 7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.288 -4.330 9.302 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.961 -3.186 9.265 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.674 -4.989 9.255 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.587 -6.193 9.084 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.533 -5.383 11.303 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.102 -4.387 11.477 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.203 -6.607 11.221 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.041 -6.347 12.587 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.859 -7.784 13.598 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.420 -8.479 12.508 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.089 -8.984 13.555 1.00 0.00 H new ATOM 793 N ILE A 52 1.632 -2.217 6.108 1.00 0.00 N ATOM 794 CA ILE A 52 2.400 -1.154 5.491 1.00 0.00 C ATOM 795 C ILE A 52 2.041 0.184 6.108 1.00 0.00 C ATOM 796 O ILE A 52 0.888 0.416 6.486 1.00 0.00 O ATOM 797 CB ILE A 52 2.168 -1.083 3.965 1.00 0.00 C ATOM 798 CG1 ILE A 52 0.697 -0.773 3.658 1.00 0.00 C ATOM 799 CG2 ILE A 52 2.597 -2.385 3.305 1.00 0.00 C ATOM 800 CD1 ILE A 52 0.416 -0.537 2.190 1.00 0.00 C ATOM 0 H ILE A 52 0.630 -2.178 5.922 1.00 0.00 H new ATOM 0 HA ILE A 52 3.452 -1.377 5.669 1.00 0.00 H new ATOM 0 HB ILE A 52 2.776 -0.275 3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.080 -1.601 4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.396 0.110 4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.428 -2.321 2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.656 -2.558 3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.015 -3.210 3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.644 -0.324 2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.005 0.310 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.684 -1.427 1.621 1.00 0.00 H new ATOM 812 N LYS A 53 3.025 1.052 6.230 1.00 0.00 N ATOM 813 CA LYS A 53 2.769 2.400 6.685 1.00 0.00 C ATOM 814 C LYS A 53 2.705 3.327 5.486 1.00 0.00 C ATOM 815 O LYS A 53 3.723 3.586 4.840 1.00 0.00 O ATOM 816 CB LYS A 53 3.849 2.877 7.661 1.00 0.00 C ATOM 817 CG LYS A 53 3.486 4.174 8.368 1.00 0.00 C ATOM 818 CD LYS A 53 4.625 4.673 9.235 1.00 0.00 C ATOM 819 CE LYS A 53 4.180 5.796 10.156 1.00 0.00 C ATOM 820 NZ LYS A 53 3.108 5.359 11.088 1.00 0.00 N ATOM 0 H LYS A 53 4.003 0.848 6.022 1.00 0.00 H new ATOM 0 HA LYS A 53 1.817 2.411 7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.025 2.101 8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.784 3.016 7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.231 4.933 7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.600 4.018 8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.018 3.848 9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.439 5.024 8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.035 6.155 10.729 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.822 6.634 9.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.329 5.688 12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.199 5.762 10.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.045 4.321 11.083 1.00 0.00 H new ATOM 834 N VAL A 54 1.508 3.798 5.172 1.00 0.00 N ATOM 835 CA VAL A 54 1.328 4.742 4.086 1.00 0.00 C ATOM 836 C VAL A 54 1.950 6.062 4.484 1.00 0.00 C ATOM 837 O VAL A 54 1.352 6.843 5.225 1.00 0.00 O ATOM 838 CB VAL A 54 -0.159 4.953 3.739 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.316 5.932 2.584 1.00 0.00 C ATOM 840 CG2 VAL A 54 -0.818 3.626 3.408 1.00 0.00 C ATOM 0 H VAL A 54 0.648 3.540 5.656 1.00 0.00 H new ATOM 0 HA VAL A 54 1.813 4.337 3.198 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.655 5.380 4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.375 6.063 2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.118 6.893 2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.196 5.542 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.868 3.792 3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.315 3.173 2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.745 2.959 4.267 1.00 0.00 H new ATOM 850 N GLU A 55 3.162 6.278 4.010 1.00 0.00 N ATOM 851 CA GLU A 55 3.974 7.405 4.428 1.00 0.00 C ATOM 852 C GLU A 55 3.674 8.643 3.602 1.00 0.00 C ATOM 853 O GLU A 55 3.697 9.762 4.115 1.00 0.00 O ATOM 854 CB GLU A 55 5.455 7.042 4.307 1.00 0.00 C ATOM 855 CG GLU A 55 5.805 6.385 2.981 1.00 0.00 C ATOM 856 CD GLU A 55 7.286 6.131 2.818 1.00 0.00 C ATOM 857 OE1 GLU A 55 7.803 5.170 3.423 1.00 0.00 O ATOM 858 OE2 GLU A 55 7.942 6.896 2.083 1.00 0.00 O ATOM 0 H GLU A 55 3.613 5.675 3.322 1.00 0.00 H new ATOM 0 HA GLU A 55 3.734 7.632 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.054 7.944 4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.725 6.369 5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.269 5.440 2.898 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.459 7.020 2.165 1.00 0.00 H new ATOM 865 N ARG A 56 3.385 8.439 2.326 1.00 0.00 N ATOM 866 CA ARG A 56 3.187 9.548 1.408 1.00 0.00 C ATOM 867 C ARG A 56 2.061 9.248 0.435 1.00 0.00 C ATOM 868 O ARG A 56 1.932 8.127 -0.057 1.00 0.00 O ATOM 869 CB ARG A 56 4.481 9.838 0.641 1.00 0.00 C ATOM 870 CG ARG A 56 5.568 10.475 1.494 1.00 0.00 C ATOM 871 CD ARG A 56 6.888 10.549 0.748 1.00 0.00 C ATOM 872 NE ARG A 56 7.515 9.231 0.613 1.00 0.00 N ATOM 873 CZ ARG A 56 8.317 8.877 -0.389 1.00 0.00 C ATOM 874 NH1 ARG A 56 8.613 9.734 -1.360 1.00 0.00 N ATOM 875 NH2 ARG A 56 8.837 7.660 -0.409 1.00 0.00 N ATOM 0 H ARG A 56 3.283 7.516 1.904 1.00 0.00 H new ATOM 0 HA ARG A 56 2.914 10.428 1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.860 8.907 0.221 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.256 10.497 -0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.259 11.478 1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.698 9.898 2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.722 10.975 -0.241 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.565 11.221 1.275 1.00 0.00 H new ATOM 0 HE ARG A 56 7.324 8.538 1.336 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.224 10.677 -1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.229 9.449 -2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.622 7.001 0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.452 7.381 -1.173 1.00 0.00 H new ATOM 889 N VAL A 57 1.249 10.254 0.164 1.00 0.00 N ATOM 890 CA VAL A 57 0.132 10.107 -0.754 1.00 0.00 C ATOM 891 C VAL A 57 0.231 11.126 -1.885 1.00 0.00 C ATOM 892 O VAL A 57 0.182 12.337 -1.664 1.00 0.00 O ATOM 893 CB VAL A 57 -1.234 10.239 -0.035 1.00 0.00 C ATOM 894 CG1 VAL A 57 -1.493 9.031 0.855 1.00 0.00 C ATOM 895 CG2 VAL A 57 -1.304 11.517 0.787 1.00 0.00 C ATOM 0 H VAL A 57 1.342 11.186 0.568 1.00 0.00 H new ATOM 0 HA VAL A 57 0.189 9.102 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.007 10.284 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.457 9.144 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.501 8.126 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.706 8.957 1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.275 11.580 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.515 11.509 1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.172 12.378 0.132 1.00 0.00 H new ATOM 905 N LEU A 58 0.405 10.625 -3.095 1.00 0.00 N ATOM 906 CA LEU A 58 0.479 11.471 -4.273 1.00 0.00 C ATOM 907 C LEU A 58 -0.884 11.506 -4.949 1.00 0.00 C ATOM 908 O LEU A 58 -1.671 10.573 -4.803 1.00 0.00 O ATOM 909 CB LEU A 58 1.544 10.955 -5.259 1.00 0.00 C ATOM 910 CG LEU A 58 3.005 11.039 -4.790 1.00 0.00 C ATOM 911 CD1 LEU A 58 3.328 12.431 -4.269 1.00 0.00 C ATOM 912 CD2 LEU A 58 3.310 9.979 -3.738 1.00 0.00 C ATOM 0 H LEU A 58 0.498 9.628 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 58 0.766 12.477 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.319 9.914 -5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.450 11.517 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 58 3.643 10.843 -5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.368 12.465 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.172 13.162 -5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.676 12.665 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.351 10.064 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.660 10.125 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.137 8.988 -4.159 1.00 0.00 H new ATOM 924 N PRO A 59 -1.182 12.572 -5.709 1.00 0.00 N ATOM 925 CA PRO A 59 -2.482 12.733 -6.375 1.00 0.00 C ATOM 926 C PRO A 59 -2.783 11.628 -7.391 1.00 0.00 C ATOM 927 O PRO A 59 -3.886 11.560 -7.934 1.00 0.00 O ATOM 928 CB PRO A 59 -2.367 14.091 -7.079 1.00 0.00 C ATOM 929 CG PRO A 59 -0.905 14.363 -7.172 1.00 0.00 C ATOM 930 CD PRO A 59 -0.287 13.714 -5.969 1.00 0.00 C ATOM 0 HA PRO A 59 -3.300 12.675 -5.657 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.825 14.062 -8.068 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.877 14.871 -6.514 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.490 13.954 -8.093 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.707 15.435 -7.182 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.734 13.389 -6.166 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.246 14.396 -5.119 1.00 0.00 H new ATOM 938 N LYS A 60 -1.803 10.772 -7.643 1.00 0.00 N ATOM 939 CA LYS A 60 -1.964 9.679 -8.589 1.00 0.00 C ATOM 940 C LYS A 60 -1.973 8.327 -7.871 1.00 0.00 C ATOM 941 O LYS A 60 -2.635 7.390 -8.313 1.00 0.00 O ATOM 942 CB LYS A 60 -0.836 9.722 -9.624 1.00 0.00 C ATOM 943 CG LYS A 60 -0.967 8.679 -10.722 1.00 0.00 C ATOM 944 CD LYS A 60 0.124 8.814 -11.780 1.00 0.00 C ATOM 945 CE LYS A 60 -0.081 10.032 -12.678 1.00 0.00 C ATOM 946 NZ LYS A 60 0.233 11.315 -11.992 1.00 0.00 N ATOM 0 H LYS A 60 -0.884 10.815 -7.203 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.923 9.797 -9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.811 10.712 -10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.117 9.581 -9.114 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.922 7.683 -10.282 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.944 8.774 -11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.095 8.887 -11.289 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.144 7.913 -12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.548 9.935 -13.563 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.115 10.053 -13.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.728 11.949 -12.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.650 11.765 -11.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.841 11.129 -11.169 1.00 0.00 H new ATOM 960 N PHE A 61 -1.254 8.240 -6.755 1.00 0.00 N ATOM 961 CA PHE A 61 -1.104 6.977 -6.033 1.00 0.00 C ATOM 962 C PHE A 61 -0.428 7.212 -4.689 1.00 0.00 C ATOM 963 O PHE A 61 0.126 8.282 -4.447 1.00 0.00 O ATOM 964 CB PHE A 61 -0.287 5.970 -6.858 1.00 0.00 C ATOM 965 CG PHE A 61 1.110 6.431 -7.198 1.00 0.00 C ATOM 966 CD1 PHE A 61 2.160 6.221 -6.316 1.00 0.00 C ATOM 967 CD2 PHE A 61 1.371 7.065 -8.403 1.00 0.00 C ATOM 968 CE1 PHE A 61 3.440 6.638 -6.629 1.00 0.00 C ATOM 969 CE2 PHE A 61 2.648 7.484 -8.720 1.00 0.00 C ATOM 970 CZ PHE A 61 3.684 7.269 -7.832 1.00 0.00 C ATOM 0 H PHE A 61 -0.766 9.028 -6.330 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.098 6.564 -5.865 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.223 5.033 -6.305 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.822 5.758 -7.784 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.975 5.726 -5.374 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.566 7.233 -9.102 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.249 6.470 -5.933 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.837 7.979 -9.661 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.684 7.594 -8.079 1.00 0.00 H new ATOM 980 N ALA A 62 -0.456 6.212 -3.825 1.00 0.00 N ATOM 981 CA ALA A 62 0.175 6.329 -2.521 1.00 0.00 C ATOM 982 C ALA A 62 1.409 5.442 -2.432 1.00 0.00 C ATOM 983 O ALA A 62 1.534 4.456 -3.161 1.00 0.00 O ATOM 984 CB ALA A 62 -0.810 5.982 -1.418 1.00 0.00 C ATOM 0 H ALA A 62 -0.906 5.314 -4.001 1.00 0.00 H new ATOM 0 HA ALA A 62 0.491 7.364 -2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.319 6.075 -0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.660 6.663 -1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.159 4.958 -1.551 1.00 0.00 H new ATOM 990 N PHE A 63 2.319 5.801 -1.540 1.00 0.00 N ATOM 991 CA PHE A 63 3.526 5.024 -1.323 1.00 0.00 C ATOM 992 C PHE A 63 3.616 4.634 0.145 1.00 0.00 C ATOM 993 O PHE A 63 3.353 5.455 1.031 1.00 0.00 O ATOM 994 CB PHE A 63 4.761 5.827 -1.734 1.00 0.00 C ATOM 995 CG PHE A 63 6.018 5.007 -1.799 1.00 0.00 C ATOM 996 CD1 PHE A 63 6.327 4.284 -2.939 1.00 0.00 C ATOM 997 CD2 PHE A 63 6.890 4.960 -0.723 1.00 0.00 C ATOM 998 CE1 PHE A 63 7.482 3.532 -3.007 1.00 0.00 C ATOM 999 CE2 PHE A 63 8.048 4.206 -0.785 1.00 0.00 C ATOM 1000 CZ PHE A 63 8.344 3.492 -1.929 1.00 0.00 C ATOM 0 H PHE A 63 2.242 6.631 -0.952 1.00 0.00 H new ATOM 0 HA PHE A 63 3.486 4.123 -1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.582 6.280 -2.709 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.906 6.643 -1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.656 4.309 -3.785 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.663 5.518 0.173 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.712 2.975 -3.903 1.00 0.00 H new ATOM 0 HE2 PHE A 63 8.720 4.176 0.060 1.00 0.00 H new ATOM 0 HZ PHE A 63 9.248 2.903 -1.981 1.00 0.00 H new ATOM 1010 N ALA A 64 3.975 3.389 0.406 1.00 0.00 N ATOM 1011 CA ALA A 64 4.028 2.895 1.769 1.00 0.00 C ATOM 1012 C ALA A 64 5.249 2.020 1.996 1.00 0.00 C ATOM 1013 O ALA A 64 5.726 1.344 1.082 1.00 0.00 O ATOM 1014 CB ALA A 64 2.761 2.121 2.091 1.00 0.00 C ATOM 0 H ALA A 64 4.233 2.705 -0.305 1.00 0.00 H new ATOM 0 HA ALA A 64 4.105 3.754 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.810 1.754 3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.897 2.776 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.667 1.277 1.408 1.00 0.00 H new ATOM 1020 N SER A 65 5.754 2.048 3.215 1.00 0.00 N ATOM 1021 CA SER A 65 6.850 1.185 3.611 1.00 0.00 C ATOM 1022 C SER A 65 6.328 0.068 4.507 1.00 0.00 C ATOM 1023 O SER A 65 5.587 0.319 5.460 1.00 0.00 O ATOM 1024 CB SER A 65 7.930 2.004 4.321 1.00 0.00 C ATOM 1025 OG SER A 65 7.358 3.075 5.057 1.00 0.00 O ATOM 0 H SER A 65 5.418 2.666 3.954 1.00 0.00 H new ATOM 0 HA SER A 65 7.296 0.733 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.497 1.359 4.992 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.633 2.398 3.587 1.00 0.00 H new ATOM 0 HG SER A 65 7.490 3.914 4.569 1.00 0.00 H new ATOM 1031 N VAL A 66 6.690 -1.164 4.185 1.00 0.00 N ATOM 1032 CA VAL A 66 6.194 -2.314 4.925 1.00 0.00 C ATOM 1033 C VAL A 66 6.925 -2.456 6.259 1.00 0.00 C ATOM 1034 O VAL A 66 8.152 -2.401 6.319 1.00 0.00 O ATOM 1035 CB VAL A 66 6.314 -3.621 4.097 1.00 0.00 C ATOM 1036 CG1 VAL A 66 7.753 -3.889 3.681 1.00 0.00 C ATOM 1037 CG2 VAL A 66 5.751 -4.804 4.868 1.00 0.00 C ATOM 0 H VAL A 66 7.323 -1.393 3.419 1.00 0.00 H new ATOM 0 HA VAL A 66 5.136 -2.143 5.124 1.00 0.00 H new ATOM 0 HB VAL A 66 5.725 -3.488 3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.799 -4.812 3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.116 -3.061 3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.377 -3.986 4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.846 -5.708 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.303 -4.927 5.800 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.699 -4.626 5.091 1.00 0.00 H new ATOM 1047 N VAL A 67 6.161 -2.613 7.330 1.00 0.00 N ATOM 1048 CA VAL A 67 6.730 -2.778 8.662 1.00 0.00 C ATOM 1049 C VAL A 67 6.549 -4.214 9.134 1.00 0.00 C ATOM 1050 O VAL A 67 6.607 -4.501 10.331 1.00 0.00 O ATOM 1051 CB VAL A 67 6.093 -1.808 9.683 1.00 0.00 C ATOM 1052 CG1 VAL A 67 6.377 -0.365 9.299 1.00 0.00 C ATOM 1053 CG2 VAL A 67 4.596 -2.046 9.801 1.00 0.00 C ATOM 0 H VAL A 67 5.141 -2.630 7.303 1.00 0.00 H new ATOM 0 HA VAL A 67 7.793 -2.544 8.596 1.00 0.00 H new ATOM 0 HB VAL A 67 6.543 -2.001 10.657 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.920 0.303 10.030 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.454 -0.199 9.279 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.960 -0.162 8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.173 -1.350 10.526 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.125 -1.890 8.830 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.415 -3.069 10.132 1.00 0.00 H new ATOM 1063 N GLU A 68 6.372 -5.103 8.160 1.00 0.00 N ATOM 1064 CA GLU A 68 6.124 -6.525 8.397 1.00 0.00 C ATOM 1065 C GLU A 68 4.750 -6.731 9.030 1.00 0.00 C ATOM 1066 O GLU A 68 4.673 -6.852 10.268 1.00 0.00 O ATOM 1067 CB GLU A 68 7.217 -7.151 9.276 1.00 0.00 C ATOM 1068 CG GLU A 68 8.631 -6.940 8.753 1.00 0.00 C ATOM 1069 CD GLU A 68 8.810 -7.435 7.334 1.00 0.00 C ATOM 1070 OE1 GLU A 68 8.852 -8.666 7.130 1.00 0.00 O ATOM 1071 OE2 GLU A 68 8.925 -6.595 6.416 1.00 0.00 O ATOM 1072 OXT GLU A 68 3.749 -6.761 8.283 1.00 0.00 O ATOM 0 H GLU A 68 6.397 -4.854 7.171 1.00 0.00 H new ATOM 0 HA GLU A 68 6.146 -7.028 7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.146 -6.732 10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.029 -8.221 9.364 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.875 -5.879 8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.336 -7.456 9.405 1.00 0.00 H new TER 1079 GLU A 68