USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 317 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 ASP N :NH3+ 180:sc= -0.0926 (180deg=-0.0926) USER MOD Single : A 6 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.091) USER MOD Single : A 8 SER OG : rot 180:sc= 0.00853 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.161 K(o=-0.16,f=-0.75) USER MOD Single : A 14 HIS : no HE2:sc= -0.168 K(o=-0.17,f=-1.4) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 16 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00506) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0414 K(o=-0.041,f=-0.71) USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= 0.549 (180deg=0.206) USER MOD Single : A 35 MET CE :methyl -137:sc= 0 (180deg=-0.0405) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -11.411 -0.141 24.417 1.00 0.00 N ATOM 2 CA ASP A 1 -12.881 0.036 24.431 1.00 0.00 C ATOM 3 C ASP A 1 -13.353 1.402 23.936 1.00 0.00 C ATOM 4 O ASP A 1 -14.553 1.639 23.840 1.00 0.00 O ATOM 5 CB ASP A 1 -13.467 -0.266 25.819 1.00 0.00 C ATOM 6 CG ASP A 1 -13.862 -1.724 25.975 1.00 0.00 C ATOM 7 OD1 ASP A 1 -15.004 -2.012 26.316 1.00 0.00 O ATOM 8 OD2 ASP A 1 -12.922 -2.641 25.622 1.00 0.00 O ATOM 0 H1 ASP A 1 -11.172 -1.091 24.766 1.00 0.00 H new ATOM 0 H2 ASP A 1 -11.057 -0.030 23.445 1.00 0.00 H new ATOM 0 H3 ASP A 1 -10.969 0.574 25.030 1.00 0.00 H new ATOM 0 HA ASP A 1 -13.262 -0.691 23.714 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -12.735 -0.007 26.584 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -14.340 0.364 25.987 1.00 0.00 H new ATOM 16 N ALA A 2 -12.411 2.286 23.619 1.00 0.00 N ATOM 17 CA ALA A 2 -12.705 3.610 23.089 1.00 0.00 C ATOM 18 C ALA A 2 -12.755 3.545 21.561 1.00 0.00 C ATOM 19 O ALA A 2 -13.825 3.417 20.974 1.00 0.00 O ATOM 20 CB ALA A 2 -11.678 4.621 23.620 1.00 0.00 C ATOM 0 H ALA A 2 -11.414 2.100 23.725 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.683 3.953 23.426 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.902 5.610 23.221 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.725 4.650 24.709 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.678 4.321 23.308 1.00 0.00 H new ATOM 26 N GLU A 3 -11.585 3.608 20.919 1.00 0.00 N ATOM 27 CA GLU A 3 -11.390 3.640 19.476 1.00 0.00 C ATOM 28 C GLU A 3 -9.989 3.083 19.195 1.00 0.00 C ATOM 29 O GLU A 3 -9.270 3.572 18.329 1.00 0.00 O ATOM 30 CB GLU A 3 -11.567 5.080 18.943 1.00 0.00 C ATOM 31 CG GLU A 3 -13.024 5.406 18.577 1.00 0.00 C ATOM 32 CD GLU A 3 -13.187 6.857 18.147 1.00 0.00 C ATOM 33 OE1 GLU A 3 -13.740 7.645 18.907 1.00 0.00 O ATOM 34 OE2 GLU A 3 -12.597 7.203 16.970 1.00 0.00 O ATOM 0 H GLU A 3 -10.701 3.640 21.426 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.132 3.030 18.960 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.220 5.787 19.697 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.937 5.217 18.064 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.352 4.749 17.772 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.668 5.206 19.434 1.00 0.00 H new ATOM 42 N PHE A 4 -9.602 2.046 19.944 1.00 0.00 N ATOM 43 CA PHE A 4 -8.358 1.320 19.723 1.00 0.00 C ATOM 44 C PHE A 4 -8.616 0.041 18.924 1.00 0.00 C ATOM 45 O PHE A 4 -7.717 -0.477 18.272 1.00 0.00 O ATOM 46 CB PHE A 4 -7.663 1.044 21.063 1.00 0.00 C ATOM 47 CG PHE A 4 -6.167 0.841 20.933 1.00 0.00 C ATOM 48 CD1 PHE A 4 -5.310 1.958 20.917 1.00 0.00 C ATOM 49 CD2 PHE A 4 -5.634 -0.449 20.749 1.00 0.00 C ATOM 50 CE1 PHE A 4 -3.926 1.785 20.748 1.00 0.00 C ATOM 51 CE2 PHE A 4 -4.249 -0.621 20.581 1.00 0.00 C ATOM 52 CZ PHE A 4 -3.394 0.495 20.584 1.00 0.00 C ATOM 0 H PHE A 4 -10.151 1.688 20.726 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.683 1.934 19.127 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.852 1.877 21.740 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.105 0.157 21.517 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.718 2.951 21.035 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.290 -1.307 20.737 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.271 2.644 20.744 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -3.841 -1.612 20.449 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.330 0.361 20.460 1.00 0.00 H new ATOM 62 N ARG A 5 -9.856 -0.455 18.977 1.00 0.00 N ATOM 63 CA ARG A 5 -10.274 -1.678 18.297 1.00 0.00 C ATOM 64 C ARG A 5 -11.129 -1.385 17.064 1.00 0.00 C ATOM 65 O ARG A 5 -10.866 -1.911 15.990 1.00 0.00 O ATOM 66 CB ARG A 5 -10.989 -2.633 19.261 1.00 0.00 C ATOM 67 CG ARG A 5 -10.081 -3.018 20.437 1.00 0.00 C ATOM 68 CD ARG A 5 -10.519 -4.364 21.029 1.00 0.00 C ATOM 69 NE ARG A 5 -9.759 -4.706 22.238 1.00 0.00 N ATOM 70 CZ ARG A 5 -8.495 -5.158 22.268 1.00 0.00 C ATOM 71 NH1 ARG A 5 -7.785 -5.274 21.141 1.00 0.00 N ATOM 72 NH2 ARG A 5 -7.947 -5.495 23.438 1.00 0.00 N ATOM 0 H ARG A 5 -10.607 -0.008 19.503 1.00 0.00 H new ATOM 0 HA ARG A 5 -9.370 -2.175 17.945 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.896 -2.161 19.638 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.296 -3.532 18.726 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -9.046 -3.080 20.101 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.121 -2.245 21.205 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.582 -4.327 21.267 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.387 -5.148 20.284 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.233 -4.590 23.134 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.203 -5.018 20.246 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -6.826 -5.619 21.176 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.488 -5.408 24.298 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.987 -5.839 23.471 1.00 0.00 H new ATOM 86 N HIS A 6 -12.153 -0.534 17.197 1.00 0.00 N ATOM 87 CA HIS A 6 -13.065 -0.235 16.091 1.00 0.00 C ATOM 88 C HIS A 6 -12.441 0.705 15.047 1.00 0.00 C ATOM 89 O HIS A 6 -13.071 1.061 14.055 1.00 0.00 O ATOM 90 CB HIS A 6 -14.387 0.309 16.650 1.00 0.00 C ATOM 91 CG HIS A 6 -15.498 0.340 15.632 1.00 0.00 C ATOM 92 ND1 HIS A 6 -16.204 -0.752 15.163 1.00 0.00 N ATOM 93 CD2 HIS A 6 -15.897 1.438 14.923 1.00 0.00 C ATOM 94 CE1 HIS A 6 -17.023 -0.320 14.186 1.00 0.00 C ATOM 95 NE2 HIS A 6 -16.852 1.007 14.024 1.00 0.00 N ATOM 0 H HIS A 6 -12.370 -0.040 18.063 1.00 0.00 H new ATOM 0 HA HIS A 6 -13.269 -1.162 15.555 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -14.696 -0.305 17.496 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -14.225 1.317 17.031 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -15.535 2.448 15.043 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -17.707 -0.937 13.623 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -17.345 1.594 13.351 1.00 0.00 H new ATOM 104 N ASP A 7 -11.179 1.097 15.229 1.00 0.00 N ATOM 105 CA ASP A 7 -10.490 2.067 14.390 1.00 0.00 C ATOM 106 C ASP A 7 -10.097 1.521 13.012 1.00 0.00 C ATOM 107 O ASP A 7 -9.182 2.062 12.398 1.00 0.00 O ATOM 108 CB ASP A 7 -9.269 2.619 15.142 1.00 0.00 C ATOM 109 CG ASP A 7 -8.165 1.593 15.378 1.00 0.00 C ATOM 110 OD1 ASP A 7 -8.379 0.410 15.140 1.00 0.00 O ATOM 111 OD2 ASP A 7 -6.944 2.105 15.697 1.00 0.00 O ATOM 0 H ASP A 7 -10.597 0.737 15.985 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.193 2.874 14.187 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.857 3.456 14.579 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.596 3.012 16.104 1.00 0.00 H new ATOM 117 N SER A 8 -10.790 0.512 12.484 1.00 0.00 N ATOM 118 CA SER A 8 -10.505 -0.034 11.170 1.00 0.00 C ATOM 119 C SER A 8 -10.601 1.057 10.106 1.00 0.00 C ATOM 120 O SER A 8 -9.686 1.221 9.310 1.00 0.00 O ATOM 121 CB SER A 8 -11.450 -1.196 10.876 1.00 0.00 C ATOM 122 OG SER A 8 -11.495 -2.056 11.998 1.00 0.00 O ATOM 0 H SER A 8 -11.566 0.054 12.962 1.00 0.00 H new ATOM 0 HA SER A 8 -9.485 -0.417 11.151 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.448 -0.820 10.651 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.110 -1.743 9.997 1.00 0.00 H new ATOM 0 HG SER A 8 -12.102 -2.803 11.814 1.00 0.00 H new ATOM 128 N GLY A 9 -11.683 1.842 10.116 1.00 0.00 N ATOM 129 CA GLY A 9 -11.884 2.910 9.142 1.00 0.00 C ATOM 130 C GLY A 9 -10.818 4.010 9.217 1.00 0.00 C ATOM 131 O GLY A 9 -10.683 4.796 8.283 1.00 0.00 O ATOM 0 H GLY A 9 -12.438 1.753 10.797 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.884 2.482 8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.867 3.355 9.299 1.00 0.00 H new ATOM 135 N TYR A 10 -10.063 4.073 10.319 1.00 0.00 N ATOM 136 CA TYR A 10 -8.956 4.994 10.499 1.00 0.00 C ATOM 137 C TYR A 10 -7.670 4.325 10.000 1.00 0.00 C ATOM 138 O TYR A 10 -6.990 4.825 9.104 1.00 0.00 O ATOM 139 CB TYR A 10 -8.895 5.358 11.989 1.00 0.00 C ATOM 140 CG TYR A 10 -7.795 6.312 12.400 1.00 0.00 C ATOM 141 CD1 TYR A 10 -7.757 7.616 11.874 1.00 0.00 C ATOM 142 CD2 TYR A 10 -6.886 5.940 13.411 1.00 0.00 C ATOM 143 CE1 TYR A 10 -6.842 8.554 12.380 1.00 0.00 C ATOM 144 CE2 TYR A 10 -5.978 6.881 13.919 1.00 0.00 C ATOM 145 CZ TYR A 10 -6.005 8.206 13.455 1.00 0.00 C ATOM 146 OH TYR A 10 -5.120 9.112 13.957 1.00 0.00 O ATOM 0 H TYR A 10 -10.216 3.467 11.125 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.083 5.912 9.925 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.852 5.795 12.274 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.782 4.438 12.562 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.433 7.897 11.080 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.889 4.930 13.795 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.781 9.540 11.944 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.258 6.586 14.668 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.622 8.707 14.697 1.00 0.00 H new ATOM 156 N GLU A 11 -7.351 3.167 10.583 1.00 0.00 N ATOM 157 CA GLU A 11 -6.156 2.397 10.299 1.00 0.00 C ATOM 158 C GLU A 11 -6.080 1.914 8.850 1.00 0.00 C ATOM 159 O GLU A 11 -4.977 1.729 8.341 1.00 0.00 O ATOM 160 CB GLU A 11 -6.076 1.208 11.265 1.00 0.00 C ATOM 161 CG GLU A 11 -5.831 1.640 12.720 1.00 0.00 C ATOM 162 CD GLU A 11 -4.456 2.266 12.930 1.00 0.00 C ATOM 163 OE1 GLU A 11 -3.489 1.530 13.084 1.00 0.00 O ATOM 164 OE2 GLU A 11 -4.367 3.612 12.721 1.00 0.00 O ATOM 0 H GLU A 11 -7.944 2.732 11.289 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.302 3.059 10.443 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.004 0.638 11.211 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.274 0.541 10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.599 2.355 13.016 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.934 0.773 13.373 1.00 0.00 H new ATOM 172 N VAL A 12 -7.225 1.685 8.203 1.00 0.00 N ATOM 173 CA VAL A 12 -7.318 1.141 6.855 1.00 0.00 C ATOM 174 C VAL A 12 -6.282 1.750 5.942 1.00 0.00 C ATOM 175 O VAL A 12 -5.406 1.054 5.460 1.00 0.00 O ATOM 176 CB VAL A 12 -8.737 1.313 6.282 1.00 0.00 C ATOM 177 CG1 VAL A 12 -9.286 2.748 6.278 1.00 0.00 C ATOM 178 CG2 VAL A 12 -8.834 0.733 4.867 1.00 0.00 C ATOM 0 H VAL A 12 -8.136 1.880 8.618 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.112 0.072 6.917 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.365 0.756 6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.290 2.752 5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.322 3.127 7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.636 3.385 5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.847 0.868 4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.130 1.248 4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.595 -0.330 4.892 1.00 0.00 H new ATOM 188 N HIS A 13 -6.393 3.050 5.739 1.00 0.00 N ATOM 189 CA HIS A 13 -5.503 3.828 4.908 1.00 0.00 C ATOM 190 C HIS A 13 -4.109 3.845 5.507 1.00 0.00 C ATOM 191 O HIS A 13 -3.144 3.640 4.777 1.00 0.00 O ATOM 192 CB HIS A 13 -6.012 5.252 4.782 1.00 0.00 C ATOM 193 CG HIS A 13 -7.247 5.389 3.929 1.00 0.00 C ATOM 194 ND1 HIS A 13 -8.532 5.626 4.381 1.00 0.00 N ATOM 195 CD2 HIS A 13 -7.286 5.291 2.566 1.00 0.00 C ATOM 196 CE1 HIS A 13 -9.343 5.647 3.308 1.00 0.00 C ATOM 197 NE2 HIS A 13 -8.606 5.453 2.195 1.00 0.00 N ATOM 0 H HIS A 13 -7.132 3.609 6.165 1.00 0.00 H new ATOM 0 HA HIS A 13 -5.467 3.370 3.920 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -6.226 5.640 5.778 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.222 5.873 4.361 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -6.447 5.120 1.907 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -10.412 5.795 3.334 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.964 5.430 1.240 1.00 0.00 H new ATOM 206 N HIS A 14 -4.002 4.099 6.819 1.00 0.00 N ATOM 207 CA HIS A 14 -2.712 4.143 7.498 1.00 0.00 C ATOM 208 C HIS A 14 -1.854 2.963 7.062 1.00 0.00 C ATOM 209 O HIS A 14 -0.683 3.152 6.739 1.00 0.00 O ATOM 210 CB HIS A 14 -2.855 4.143 9.020 1.00 0.00 C ATOM 211 CG HIS A 14 -3.496 5.364 9.628 1.00 0.00 C ATOM 212 ND1 HIS A 14 -3.482 5.629 10.983 1.00 0.00 N ATOM 213 CD2 HIS A 14 -3.990 6.470 8.978 1.00 0.00 C ATOM 214 CE1 HIS A 14 -3.936 6.877 11.158 1.00 0.00 C ATOM 215 NE2 HIS A 14 -4.287 7.391 9.965 1.00 0.00 N ATOM 0 H HIS A 14 -4.801 4.277 7.428 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.230 5.079 7.215 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.439 3.269 9.309 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.864 4.023 9.457 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -3.180 4.990 11.718 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.120 6.594 7.913 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.009 7.389 12.106 1.00 0.00 H new ATOM 224 N GLN A 15 -2.450 1.763 7.015 1.00 0.00 N ATOM 225 CA GLN A 15 -1.748 0.590 6.546 1.00 0.00 C ATOM 226 C GLN A 15 -1.810 0.391 5.044 1.00 0.00 C ATOM 227 O GLN A 15 -0.763 0.235 4.441 1.00 0.00 O ATOM 228 CB GLN A 15 -2.080 -0.659 7.372 1.00 0.00 C ATOM 229 CG GLN A 15 -3.498 -1.198 7.140 1.00 0.00 C ATOM 230 CD GLN A 15 -3.829 -2.357 8.076 1.00 0.00 C ATOM 231 OE1 GLN A 15 -2.949 -2.940 8.701 1.00 0.00 O ATOM 232 NE2 GLN A 15 -5.106 -2.707 8.182 1.00 0.00 N ATOM 0 H GLN A 15 -3.415 1.593 7.298 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.690 0.781 6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.360 -1.442 7.134 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.959 -0.426 8.430 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.220 -0.395 7.288 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.596 -1.528 6.106 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.818 -2.205 7.651 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.375 -3.477 8.794 1.00 0.00 H new ATOM 241 N LYS A 16 -2.975 0.425 4.404 1.00 0.00 N ATOM 242 CA LYS A 16 -3.115 0.244 2.965 1.00 0.00 C ATOM 243 C LYS A 16 -2.129 1.125 2.209 1.00 0.00 C ATOM 244 O LYS A 16 -1.578 0.699 1.192 1.00 0.00 O ATOM 245 CB LYS A 16 -4.580 0.509 2.569 1.00 0.00 C ATOM 246 CG LYS A 16 -4.878 0.772 1.083 1.00 0.00 C ATOM 247 CD LYS A 16 -4.887 2.279 0.764 1.00 0.00 C ATOM 248 CE LYS A 16 -5.583 2.585 -0.567 1.00 0.00 C ATOM 249 NZ LYS A 16 -4.879 1.982 -1.712 1.00 0.00 N ATOM 0 H LYS A 16 -3.863 0.582 4.880 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.871 -0.782 2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.174 -0.349 2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.933 1.368 3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.129 0.274 0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.844 0.339 0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.391 2.816 1.568 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.862 2.647 0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.607 2.212 -0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.641 3.665 -0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.374 2.228 -2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.905 2.343 -1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.861 0.948 -1.603 1.00 0.00 H new ATOM 263 N LEU A 17 -1.874 2.333 2.713 1.00 0.00 N ATOM 264 CA LEU A 17 -1.102 3.307 1.962 1.00 0.00 C ATOM 265 C LEU A 17 0.384 2.939 2.010 1.00 0.00 C ATOM 266 O LEU A 17 1.136 3.261 1.093 1.00 0.00 O ATOM 267 CB LEU A 17 -1.437 4.728 2.443 1.00 0.00 C ATOM 268 CG LEU A 17 -1.138 5.815 1.392 1.00 0.00 C ATOM 269 CD1 LEU A 17 -2.321 6.787 1.288 1.00 0.00 C ATOM 270 CD2 LEU A 17 0.132 6.594 1.746 1.00 0.00 C ATOM 0 H LEU A 17 -2.190 2.652 3.629 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.372 3.291 0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.492 4.773 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.868 4.941 3.348 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.984 5.320 0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.100 7.551 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.216 6.240 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.488 7.261 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.317 7.353 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.006 7.074 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.979 5.909 1.788 1.00 0.00 H new ATOM 282 N VAL A 18 0.790 2.208 3.053 1.00 0.00 N ATOM 283 CA VAL A 18 2.142 1.705 3.228 1.00 0.00 C ATOM 284 C VAL A 18 2.261 0.321 2.582 1.00 0.00 C ATOM 285 O VAL A 18 3.146 0.063 1.767 1.00 0.00 O ATOM 286 CB VAL A 18 2.480 1.697 4.725 1.00 0.00 C ATOM 287 CG1 VAL A 18 3.805 0.985 5.022 1.00 0.00 C ATOM 288 CG2 VAL A 18 2.540 3.132 5.265 1.00 0.00 C ATOM 0 H VAL A 18 0.165 1.947 3.815 1.00 0.00 H new ATOM 0 HA VAL A 18 2.867 2.350 2.731 1.00 0.00 H new ATOM 0 HB VAL A 18 1.685 1.143 5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.998 1.007 6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.745 -0.050 4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.615 1.491 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.781 3.111 6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.308 3.690 4.730 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.574 3.616 5.121 1.00 0.00 H new ATOM 298 N PHE A 19 1.347 -0.574 2.958 1.00 0.00 N ATOM 299 CA PHE A 19 1.217 -1.931 2.474 1.00 0.00 C ATOM 300 C PHE A 19 1.268 -1.947 0.956 1.00 0.00 C ATOM 301 O PHE A 19 2.068 -2.690 0.409 1.00 0.00 O ATOM 302 CB PHE A 19 -0.081 -2.560 2.994 1.00 0.00 C ATOM 303 CG PHE A 19 -0.355 -3.941 2.427 1.00 0.00 C ATOM 304 CD1 PHE A 19 0.343 -5.056 2.925 1.00 0.00 C ATOM 305 CD2 PHE A 19 -1.215 -4.093 1.321 1.00 0.00 C ATOM 306 CE1 PHE A 19 0.171 -6.318 2.332 1.00 0.00 C ATOM 307 CE2 PHE A 19 -1.384 -5.355 0.728 1.00 0.00 C ATOM 308 CZ PHE A 19 -0.697 -6.469 1.237 1.00 0.00 C ATOM 0 H PHE A 19 0.637 -0.347 3.654 1.00 0.00 H new ATOM 0 HA PHE A 19 2.049 -2.526 2.849 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.034 -2.625 4.081 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.916 -1.904 2.750 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.012 -4.942 3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.745 -3.238 0.929 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.706 -7.173 2.718 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.043 -5.469 -0.120 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.836 -7.441 0.787 1.00 0.00 H new ATOM 318 N PHE A 20 0.453 -1.140 0.266 1.00 0.00 N ATOM 319 CA PHE A 20 0.457 -1.160 -1.191 1.00 0.00 C ATOM 320 C PHE A 20 1.848 -0.843 -1.732 1.00 0.00 C ATOM 321 O PHE A 20 2.379 -1.578 -2.562 1.00 0.00 O ATOM 322 CB PHE A 20 -0.573 -0.185 -1.770 1.00 0.00 C ATOM 323 CG PHE A 20 -1.105 -0.616 -3.121 1.00 0.00 C ATOM 324 CD1 PHE A 20 -0.463 -0.206 -4.304 1.00 0.00 C ATOM 325 CD2 PHE A 20 -2.204 -1.492 -3.190 1.00 0.00 C ATOM 326 CE1 PHE A 20 -0.962 -0.621 -5.553 1.00 0.00 C ATOM 327 CE2 PHE A 20 -2.703 -1.904 -4.437 1.00 0.00 C ATOM 328 CZ PHE A 20 -2.087 -1.460 -5.619 1.00 0.00 C ATOM 0 H PHE A 20 -0.202 -0.481 0.687 1.00 0.00 H new ATOM 0 HA PHE A 20 0.180 -2.166 -1.505 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.405 -0.088 -1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.119 0.801 -1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.411 0.426 -4.254 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.666 -1.849 -2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.479 -0.294 -6.462 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.559 -2.561 -4.487 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.478 -1.764 -6.579 1.00 0.00 H new ATOM 338 N ALA A 21 2.445 0.250 -1.243 1.00 0.00 N ATOM 339 CA ALA A 21 3.784 0.658 -1.639 1.00 0.00 C ATOM 340 C ALA A 21 4.755 -0.510 -1.454 1.00 0.00 C ATOM 341 O ALA A 21 5.476 -0.864 -2.382 1.00 0.00 O ATOM 342 CB ALA A 21 4.213 1.894 -0.844 1.00 0.00 C ATOM 0 H ALA A 21 2.008 0.871 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 21 3.791 0.931 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.217 2.192 -1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.518 2.711 -1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.210 1.661 0.221 1.00 0.00 H new ATOM 348 N GLU A 22 4.742 -1.154 -0.283 1.00 0.00 N ATOM 349 CA GLU A 22 5.531 -2.345 -0.022 1.00 0.00 C ATOM 350 C GLU A 22 5.237 -3.469 -1.014 1.00 0.00 C ATOM 351 O GLU A 22 6.154 -4.086 -1.550 1.00 0.00 O ATOM 352 CB GLU A 22 5.270 -2.795 1.424 1.00 0.00 C ATOM 353 CG GLU A 22 6.213 -2.109 2.420 1.00 0.00 C ATOM 354 CD GLU A 22 7.598 -2.744 2.409 1.00 0.00 C ATOM 355 OE1 GLU A 22 8.548 -2.108 1.967 1.00 0.00 O ATOM 356 OE2 GLU A 22 7.658 -4.041 2.821 1.00 0.00 O ATOM 0 H GLU A 22 4.177 -0.855 0.512 1.00 0.00 H new ATOM 0 HA GLU A 22 6.586 -2.102 -0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.237 -2.573 1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.392 -3.876 1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.295 -1.050 2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.791 -2.171 3.423 1.00 0.00 H new ATOM 364 N ASP A 23 3.956 -3.733 -1.252 1.00 0.00 N ATOM 365 CA ASP A 23 3.479 -4.810 -2.107 1.00 0.00 C ATOM 366 C ASP A 23 3.782 -4.549 -3.581 1.00 0.00 C ATOM 367 O ASP A 23 3.555 -5.424 -4.410 1.00 0.00 O ATOM 368 CB ASP A 23 1.977 -5.086 -1.891 1.00 0.00 C ATOM 369 CG ASP A 23 1.716 -6.516 -1.443 1.00 0.00 C ATOM 370 OD1 ASP A 23 2.293 -6.957 -0.454 1.00 0.00 O ATOM 371 OD2 ASP A 23 0.665 -7.140 -2.034 1.00 0.00 O ATOM 0 H ASP A 23 3.200 -3.185 -0.842 1.00 0.00 H new ATOM 0 HA ASP A 23 4.027 -5.706 -1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.586 -4.396 -1.144 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.437 -4.893 -2.818 1.00 0.00 H new ATOM 377 N VAL A 24 4.258 -3.345 -3.910 1.00 0.00 N ATOM 378 CA VAL A 24 4.825 -3.003 -5.198 1.00 0.00 C ATOM 379 C VAL A 24 6.344 -3.139 -5.112 1.00 0.00 C ATOM 380 O VAL A 24 6.961 -3.907 -5.852 1.00 0.00 O ATOM 381 CB VAL A 24 4.333 -1.601 -5.607 1.00 0.00 C ATOM 382 CG1 VAL A 24 5.076 -1.053 -6.829 1.00 0.00 C ATOM 383 CG2 VAL A 24 2.831 -1.647 -5.925 1.00 0.00 C ATOM 0 H VAL A 24 4.255 -2.561 -3.258 1.00 0.00 H new ATOM 0 HA VAL A 24 4.496 -3.680 -5.986 1.00 0.00 H new ATOM 0 HB VAL A 24 4.531 -0.938 -4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.691 -0.063 -7.075 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.141 -0.983 -6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.926 -1.722 -7.676 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.490 -0.653 -6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.654 -2.343 -6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.282 -1.977 -5.043 1.00 0.00 H new ATOM 393 N GLY A 25 6.938 -2.397 -4.181 1.00 0.00 N ATOM 394 CA GLY A 25 8.374 -2.283 -3.988 1.00 0.00 C ATOM 395 C GLY A 25 9.019 -3.658 -3.883 1.00 0.00 C ATOM 396 O GLY A 25 9.889 -4.008 -4.680 1.00 0.00 O ATOM 0 H GLY A 25 6.406 -1.837 -3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.814 -1.733 -4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.579 -1.711 -3.083 1.00 0.00 H new ATOM 400 N SER A 26 8.550 -4.467 -2.932 1.00 0.00 N ATOM 401 CA SER A 26 9.092 -5.786 -2.659 1.00 0.00 C ATOM 402 C SER A 26 8.493 -6.861 -3.563 1.00 0.00 C ATOM 403 O SER A 26 8.540 -8.043 -3.235 1.00 0.00 O ATOM 404 CB SER A 26 8.877 -6.114 -1.178 1.00 0.00 C ATOM 405 OG SER A 26 9.371 -5.051 -0.381 1.00 0.00 O ATOM 0 H SER A 26 7.771 -4.214 -2.324 1.00 0.00 H new ATOM 0 HA SER A 26 10.160 -5.775 -2.879 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.817 -6.269 -0.979 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.388 -7.042 -0.922 1.00 0.00 H new ATOM 0 HG SER A 26 9.232 -5.260 0.566 1.00 0.00 H new ATOM 411 N ASN A 27 7.953 -6.453 -4.711 1.00 0.00 N ATOM 412 CA ASN A 27 7.330 -7.321 -5.694 1.00 0.00 C ATOM 413 C ASN A 27 7.704 -6.840 -7.090 1.00 0.00 C ATOM 414 O ASN A 27 6.946 -6.989 -8.046 1.00 0.00 O ATOM 415 CB ASN A 27 5.810 -7.324 -5.495 1.00 0.00 C ATOM 416 CG ASN A 27 5.389 -7.946 -4.165 1.00 0.00 C ATOM 417 OD1 ASN A 27 5.489 -7.324 -3.111 1.00 0.00 O ATOM 418 ND2 ASN A 27 4.918 -9.189 -4.193 1.00 0.00 N ATOM 0 H ASN A 27 7.940 -5.471 -4.987 1.00 0.00 H new ATOM 0 HA ASN A 27 7.686 -8.344 -5.571 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.439 -6.300 -5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.342 -7.873 -6.312 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.631 -9.645 -3.327 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.844 -9.686 -5.080 1.00 0.00 H new ATOM 425 N LYS A 28 8.910 -6.288 -7.220 1.00 0.00 N ATOM 426 CA LYS A 28 9.395 -5.691 -8.446 1.00 0.00 C ATOM 427 C LYS A 28 9.396 -6.731 -9.558 1.00 0.00 C ATOM 428 O LYS A 28 8.937 -6.476 -10.666 1.00 0.00 O ATOM 429 CB LYS A 28 10.781 -5.069 -8.210 1.00 0.00 C ATOM 430 CG LYS A 28 10.820 -3.649 -8.782 1.00 0.00 C ATOM 431 CD LYS A 28 12.186 -2.969 -8.597 1.00 0.00 C ATOM 432 CE LYS A 28 12.272 -2.107 -7.328 1.00 0.00 C ATOM 433 NZ LYS A 28 12.126 -2.890 -6.088 1.00 0.00 N ATOM 0 H LYS A 28 9.584 -6.247 -6.456 1.00 0.00 H new ATOM 0 HA LYS A 28 8.733 -4.884 -8.761 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.002 -5.047 -7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.549 -5.682 -8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.577 -3.683 -9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.051 -3.046 -8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.962 -3.733 -8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.393 -2.345 -9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.230 -1.588 -7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.496 -1.342 -7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.487 -2.338 -5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.122 -3.110 -5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.666 -3.775 -6.171 1.00 0.00 H new ATOM 447 N GLY A 29 9.841 -7.937 -9.213 1.00 0.00 N ATOM 448 CA GLY A 29 9.811 -9.108 -10.078 1.00 0.00 C ATOM 449 C GLY A 29 8.425 -9.375 -10.675 1.00 0.00 C ATOM 450 O GLY A 29 8.331 -9.955 -11.753 1.00 0.00 O ATOM 0 H GLY A 29 10.244 -8.129 -8.296 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.529 -8.974 -10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.130 -9.981 -9.509 1.00 0.00 H new ATOM 454 N ALA A 30 7.354 -8.964 -9.984 1.00 0.00 N ATOM 455 CA ALA A 30 5.986 -9.111 -10.454 1.00 0.00 C ATOM 456 C ALA A 30 5.550 -7.854 -11.210 1.00 0.00 C ATOM 457 O ALA A 30 5.082 -7.934 -12.343 1.00 0.00 O ATOM 458 CB ALA A 30 5.050 -9.422 -9.284 1.00 0.00 C ATOM 0 H ALA A 30 7.423 -8.515 -9.071 1.00 0.00 H new ATOM 0 HA ALA A 30 5.934 -9.951 -11.147 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.030 -9.529 -9.653 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.362 -10.350 -8.805 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.090 -8.609 -8.560 1.00 0.00 H new ATOM 464 N ILE A 31 5.726 -6.680 -10.593 1.00 0.00 N ATOM 465 CA ILE A 31 5.360 -5.397 -11.184 1.00 0.00 C ATOM 466 C ILE A 31 6.201 -5.062 -12.424 1.00 0.00 C ATOM 467 O ILE A 31 5.877 -4.139 -13.169 1.00 0.00 O ATOM 468 CB ILE A 31 5.324 -4.295 -10.099 1.00 0.00 C ATOM 469 CG1 ILE A 31 4.000 -4.360 -9.310 1.00 0.00 C ATOM 470 CG2 ILE A 31 5.445 -2.871 -10.665 1.00 0.00 C ATOM 471 CD1 ILE A 31 3.906 -5.535 -8.336 1.00 0.00 C ATOM 0 H ILE A 31 6.131 -6.598 -9.660 1.00 0.00 H new ATOM 0 HA ILE A 31 4.345 -5.464 -11.575 1.00 0.00 H new ATOM 0 HB ILE A 31 6.187 -4.491 -9.462 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.876 -3.431 -8.754 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.172 -4.421 -10.016 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.412 -2.151 -9.848 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.390 -2.771 -11.199 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.619 -2.680 -11.350 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.945 -5.506 -7.823 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.996 -6.472 -8.886 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.710 -5.466 -7.604 1.00 0.00 H new ATOM 483 N ILE A 32 7.253 -5.839 -12.665 1.00 0.00 N ATOM 484 CA ILE A 32 8.211 -5.737 -13.756 1.00 0.00 C ATOM 485 C ILE A 32 7.602 -5.217 -15.063 1.00 0.00 C ATOM 486 O ILE A 32 8.147 -4.298 -15.666 1.00 0.00 O ATOM 487 CB ILE A 32 8.990 -7.070 -13.891 1.00 0.00 C ATOM 488 CG1 ILE A 32 10.477 -6.782 -13.641 1.00 0.00 C ATOM 489 CG2 ILE A 32 8.771 -7.812 -15.220 1.00 0.00 C ATOM 490 CD1 ILE A 32 11.383 -8.008 -13.788 1.00 0.00 C ATOM 0 H ILE A 32 7.474 -6.621 -12.049 1.00 0.00 H new ATOM 0 HA ILE A 32 8.936 -4.962 -13.507 1.00 0.00 H new ATOM 0 HB ILE A 32 8.596 -7.758 -13.143 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.809 -6.012 -14.337 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.594 -6.375 -12.636 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.355 -8.732 -15.224 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.714 -8.053 -15.332 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.088 -7.177 -16.048 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.417 -7.721 -13.596 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.079 -8.773 -13.073 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.298 -8.404 -14.800 1.00 0.00 H new ATOM 502 N GLY A 33 6.455 -5.755 -15.491 1.00 0.00 N ATOM 503 CA GLY A 33 5.768 -5.272 -16.682 1.00 0.00 C ATOM 504 C GLY A 33 5.523 -3.763 -16.612 1.00 0.00 C ATOM 505 O GLY A 33 5.896 -3.011 -17.510 1.00 0.00 O ATOM 0 H GLY A 33 5.985 -6.530 -15.023 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.362 -5.505 -17.566 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.816 -5.792 -16.791 1.00 0.00 H new ATOM 509 N LEU A 34 4.914 -3.306 -15.517 1.00 0.00 N ATOM 510 CA LEU A 34 4.619 -1.927 -15.251 1.00 0.00 C ATOM 511 C LEU A 34 5.867 -1.116 -14.958 1.00 0.00 C ATOM 512 O LEU A 34 5.889 0.082 -15.203 1.00 0.00 O ATOM 513 CB LEU A 34 3.629 -1.839 -14.090 1.00 0.00 C ATOM 514 CG LEU A 34 2.230 -1.450 -14.565 1.00 0.00 C ATOM 515 CD1 LEU A 34 1.276 -1.461 -13.367 1.00 0.00 C ATOM 516 CD2 LEU A 34 2.187 -0.052 -15.208 1.00 0.00 C ATOM 0 H LEU A 34 4.606 -3.927 -14.768 1.00 0.00 H new ATOM 0 HA LEU A 34 4.174 -1.496 -16.148 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.584 -2.800 -13.577 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.983 -1.106 -13.365 1.00 0.00 H new ATOM 0 HG LEU A 34 1.933 -2.175 -15.323 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.275 -1.184 -13.697 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.251 -2.460 -12.931 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.622 -0.747 -12.620 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.169 0.171 -15.526 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.511 0.693 -14.481 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.851 -0.028 -16.072 1.00 0.00 H new ATOM 528 N MET A 35 6.908 -1.757 -14.442 1.00 0.00 N ATOM 529 CA MET A 35 8.193 -1.098 -14.296 1.00 0.00 C ATOM 530 C MET A 35 8.704 -0.714 -15.689 1.00 0.00 C ATOM 531 O MET A 35 9.007 0.447 -15.959 1.00 0.00 O ATOM 532 CB MET A 35 9.177 -2.006 -13.542 1.00 0.00 C ATOM 533 CG MET A 35 10.322 -1.198 -12.922 1.00 0.00 C ATOM 534 SD MET A 35 11.857 -2.144 -12.555 1.00 0.00 S ATOM 535 CE MET A 35 12.488 -2.300 -14.271 1.00 0.00 C ATOM 0 H MET A 35 6.886 -2.725 -14.121 1.00 0.00 H new ATOM 0 HA MET A 35 8.092 -0.189 -13.703 1.00 0.00 H new ATOM 0 HB2 MET A 35 8.647 -2.548 -12.759 1.00 0.00 H new ATOM 0 HB3 MET A 35 9.584 -2.751 -14.226 1.00 0.00 H new ATOM 0 HG2 MET A 35 10.573 -0.381 -13.598 1.00 0.00 H new ATOM 0 HG3 MET A 35 9.965 -0.747 -11.996 1.00 0.00 H new ATOM 0 HE1 MET A 35 12.856 -3.313 -14.432 1.00 0.00 H new ATOM 0 HE2 MET A 35 11.683 -2.090 -14.975 1.00 0.00 H new ATOM 0 HE3 MET A 35 13.300 -1.590 -14.426 1.00 0.00 H new ATOM 545 N VAL A 36 8.761 -1.702 -16.583 1.00 0.00 N ATOM 546 CA VAL A 36 9.280 -1.545 -17.938 1.00 0.00 C ATOM 547 C VAL A 36 8.374 -0.624 -18.762 1.00 0.00 C ATOM 548 O VAL A 36 8.846 0.136 -19.603 1.00 0.00 O ATOM 549 CB VAL A 36 9.462 -2.923 -18.585 1.00 0.00 C ATOM 550 CG1 VAL A 36 9.874 -2.831 -20.061 1.00 0.00 C ATOM 551 CG2 VAL A 36 10.531 -3.748 -17.850 1.00 0.00 C ATOM 0 H VAL A 36 8.442 -2.649 -16.380 1.00 0.00 H new ATOM 0 HA VAL A 36 10.258 -1.066 -17.901 1.00 0.00 H new ATOM 0 HB VAL A 36 8.489 -3.409 -18.514 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.989 -3.835 -20.470 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.106 -2.297 -20.621 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.820 -2.296 -20.142 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.636 -4.720 -18.333 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.484 -3.221 -17.884 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.231 -3.890 -16.812 1.00 0.00 H new ATOM 561 N GLY A 37 7.064 -0.696 -18.529 1.00 0.00 N ATOM 562 CA GLY A 37 6.082 0.091 -19.252 1.00 0.00 C ATOM 563 C GLY A 37 6.050 1.519 -18.720 1.00 0.00 C ATOM 564 O GLY A 37 6.111 2.482 -19.478 1.00 0.00 O ATOM 0 H GLY A 37 6.657 -1.311 -17.824 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.323 0.097 -20.315 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.096 -0.364 -19.151 1.00 0.00 H new ATOM 568 N GLY A 38 5.950 1.665 -17.401 1.00 0.00 N ATOM 569 CA GLY A 38 5.778 2.949 -16.747 1.00 0.00 C ATOM 570 C GLY A 38 6.968 3.863 -17.003 1.00 0.00 C ATOM 571 O GLY A 38 6.785 5.063 -17.199 1.00 0.00 O ATOM 0 H GLY A 38 5.987 0.880 -16.751 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.867 3.425 -17.109 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.655 2.800 -15.674 1.00 0.00 H new ATOM 575 N VAL A 39 8.182 3.298 -17.028 1.00 0.00 N ATOM 576 CA VAL A 39 9.404 4.096 -17.138 1.00 0.00 C ATOM 577 C VAL A 39 9.476 4.834 -18.481 1.00 0.00 C ATOM 578 O VAL A 39 10.260 5.765 -18.641 1.00 0.00 O ATOM 579 CB VAL A 39 10.648 3.236 -16.839 1.00 0.00 C ATOM 580 CG1 VAL A 39 10.917 2.203 -17.935 1.00 0.00 C ATOM 581 CG2 VAL A 39 11.907 4.087 -16.629 1.00 0.00 C ATOM 0 H VAL A 39 8.341 2.292 -16.973 1.00 0.00 H new ATOM 0 HA VAL A 39 9.380 4.876 -16.377 1.00 0.00 H new ATOM 0 HB VAL A 39 10.421 2.711 -15.911 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.803 1.622 -17.678 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.060 1.536 -18.025 1.00 0.00 H new ATOM 0 HG13 VAL A 39 11.080 2.714 -18.884 1.00 0.00 H new ATOM 0 HG21 VAL A 39 12.756 3.436 -16.421 1.00 0.00 H new ATOM 0 HG22 VAL A 39 12.107 4.669 -17.529 1.00 0.00 H new ATOM 0 HG23 VAL A 39 11.753 4.762 -15.787 1.00 0.00 H new ATOM 591 N VAL A 40 8.639 4.436 -19.447 1.00 0.00 N ATOM 592 CA VAL A 40 8.443 5.177 -20.678 1.00 0.00 C ATOM 593 C VAL A 40 8.121 6.651 -20.386 1.00 0.00 C ATOM 594 O VAL A 40 8.557 7.528 -21.129 1.00 0.00 O ATOM 595 CB VAL A 40 7.362 4.506 -21.545 1.00 0.00 C ATOM 596 CG1 VAL A 40 7.055 5.314 -22.814 1.00 0.00 C ATOM 597 CG2 VAL A 40 7.812 3.101 -21.976 1.00 0.00 C ATOM 0 H VAL A 40 8.080 3.585 -19.387 1.00 0.00 H new ATOM 0 HA VAL A 40 9.372 5.162 -21.247 1.00 0.00 H new ATOM 0 HB VAL A 40 6.463 4.452 -20.930 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.287 4.802 -23.394 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.699 6.306 -22.536 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.960 5.408 -23.414 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.036 2.642 -22.588 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.733 3.175 -22.554 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.987 2.488 -21.092 1.00 0.00 H new ATOM 607 N ILE A 41 7.347 6.925 -19.329 1.00 0.00 N ATOM 608 CA ILE A 41 6.997 8.270 -18.899 1.00 0.00 C ATOM 609 C ILE A 41 7.773 8.562 -17.606 1.00 0.00 C ATOM 610 O ILE A 41 8.331 7.662 -16.982 1.00 0.00 O ATOM 611 CB ILE A 41 5.472 8.388 -18.717 1.00 0.00 C ATOM 612 CG1 ILE A 41 4.708 7.565 -19.781 1.00 0.00 C ATOM 613 CG2 ILE A 41 4.986 9.851 -18.736 1.00 0.00 C ATOM 614 CD1 ILE A 41 3.182 7.703 -19.719 1.00 0.00 C ATOM 0 H ILE A 41 6.941 6.197 -18.741 1.00 0.00 H new ATOM 0 HA ILE A 41 7.273 9.012 -19.648 1.00 0.00 H new ATOM 0 HB ILE A 41 5.254 7.978 -17.731 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.048 7.871 -20.771 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.970 6.513 -19.665 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.904 9.877 -18.604 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.464 10.404 -17.927 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.246 10.308 -19.691 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.729 7.092 -20.500 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.826 7.368 -18.745 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.905 8.747 -19.868 1.00 0.00 H new ATOM 626 N ALA A 42 7.796 9.832 -17.201 1.00 0.00 N ATOM 627 CA ALA A 42 8.524 10.317 -16.035 1.00 0.00 C ATOM 628 C ALA A 42 10.000 9.897 -16.086 1.00 0.00 C ATOM 629 O ALA A 42 10.507 9.415 -15.049 1.00 0.00 O ATOM 630 CB ALA A 42 7.815 9.877 -14.746 1.00 0.00 C ATOM 631 OXT ALA A 42 10.605 10.104 -17.161 1.00 0.00 O ATOM 0 H ALA A 42 7.293 10.571 -17.692 1.00 0.00 H new ATOM 0 HA ALA A 42 8.524 11.407 -16.043 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.369 10.245 -13.882 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.804 10.284 -14.730 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.768 8.789 -14.710 1.00 0.00 H new TER 637 ALA A 42