USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 319 hydrogens (2 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 LYS N :NH3+ 123:sc= 0.0222 (180deg=-0.0159) USER MOD Single : A 1 LYS NZ :NH3+ -142:sc= 1.31 (180deg=-0.314) USER MOD Single : A 2 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000115) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 180:sc= 0.0113 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 76:sc= 0.68 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 81:sc= 0.274 USER MOD Single : A 21 ASN : amide:sc= 0.386 X(o=0.39,f=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -20.878 -65.460 23.736 1.00 2.23 N ATOM 2 CA LYS A 1 -21.406 -64.374 22.887 1.00 2.86 C ATOM 3 C LYS A 1 -22.131 -63.236 23.680 1.00 2.04 C ATOM 4 O LYS A 1 -22.388 -63.367 24.891 1.00 1.52 O ATOM 5 CB LYS A 1 -22.359 -65.069 21.858 1.00 2.67 C ATOM 6 CG LYS A 1 -23.619 -65.587 22.522 1.00 2.46 C ATOM 7 CD LYS A 1 -24.766 -65.641 21.542 1.00 2.44 C ATOM 8 CE LYS A 1 -26.061 -66.114 22.168 1.00 2.80 C ATOM 9 NZ LYS A 1 -26.674 -64.997 22.896 1.00 2.13 N1+ ATOM 0 H1 LYS A 1 -21.281 -66.368 23.429 1.00 2.23 H new ATOM 0 H2 LYS A 1 -19.842 -65.495 23.651 1.00 2.23 H new ATOM 0 H3 LYS A 1 -21.138 -65.283 24.727 1.00 2.23 H new ATOM 0 HA LYS A 1 -20.583 -63.853 22.398 1.00 2.86 H new ATOM 0 HB2 LYS A 1 -22.626 -64.361 21.073 1.00 2.67 H new ATOM 0 HB3 LYS A 1 -21.835 -65.895 21.377 1.00 2.67 H new ATOM 0 HG2 LYS A 1 -23.437 -66.582 22.929 1.00 2.46 H new ATOM 0 HG3 LYS A 1 -23.883 -64.943 23.361 1.00 2.46 H new ATOM 0 HD2 LYS A 1 -24.917 -64.650 21.114 1.00 2.44 H new ATOM 0 HD3 LYS A 1 -24.503 -66.307 20.720 1.00 2.44 H new ATOM 0 HE2 LYS A 1 -26.740 -66.480 21.398 1.00 2.80 H new ATOM 0 HE3 LYS A 1 -25.870 -66.946 22.846 1.00 2.80 H new ATOM 0 HZ1 LYS A 1 -27.107 -65.350 23.773 1.00 2.13 H new ATOM 0 HZ2 LYS A 1 -25.945 -64.293 23.129 1.00 2.13 H new ATOM 0 HZ3 LYS A 1 -27.405 -64.555 22.303 1.00 2.13 H new ATOM 25 N LYS A 2 -22.550 -62.112 23.066 1.00 2.23 N ATOM 26 CA LYS A 2 -23.514 -61.193 23.713 1.00 2.86 C ATOM 27 C LYS A 2 -24.805 -61.883 24.036 1.00 2.04 C ATOM 28 O LYS A 2 -25.246 -62.815 23.366 1.00 1.52 O ATOM 29 CB LYS A 2 -23.812 -59.892 23.002 1.00 2.67 C ATOM 30 CG LYS A 2 -22.569 -58.958 23.020 1.00 2.46 C ATOM 31 CD LYS A 2 -22.670 -58.170 24.384 1.00 2.44 C ATOM 32 CE LYS A 2 -21.385 -57.308 24.508 1.00 2.80 C ATOM 33 NZ LYS A 2 -21.450 -56.112 23.600 1.00 2.13 N1+ ATOM 0 H LYS A 2 -22.244 -61.820 22.138 1.00 2.23 H new ATOM 0 HA LYS A 2 -22.981 -60.904 24.619 1.00 2.86 H new ATOM 0 HB2 LYS A 2 -24.106 -60.094 21.972 1.00 2.67 H new ATOM 0 HB3 LYS A 2 -24.654 -59.394 23.482 1.00 2.67 H new ATOM 0 HG2 LYS A 2 -21.644 -59.531 22.963 1.00 2.46 H new ATOM 0 HG3 LYS A 2 -22.575 -58.277 22.169 1.00 2.46 H new ATOM 0 HD2 LYS A 2 -23.560 -57.540 24.400 1.00 2.44 H new ATOM 0 HD3 LYS A 2 -22.753 -58.861 25.223 1.00 2.44 H new ATOM 0 HE2 LYS A 2 -21.261 -56.980 25.540 1.00 2.80 H new ATOM 0 HE3 LYS A 2 -20.512 -57.912 24.259 1.00 2.80 H new ATOM 0 HZ1 LYS A 2 -20.587 -55.543 23.714 1.00 2.13 H new ATOM 0 HZ2 LYS A 2 -21.528 -56.430 22.613 1.00 2.13 H new ATOM 0 HZ3 LYS A 2 -22.280 -55.535 23.845 1.00 2.13 H new ATOM 47 N LYS A 3 -25.473 -61.422 25.108 1.00 2.23 N ATOM 48 CA LYS A 3 -26.648 -62.102 25.651 1.00 2.86 C ATOM 49 C LYS A 3 -27.995 -61.779 24.926 1.00 2.04 C ATOM 50 O LYS A 3 -28.929 -62.330 25.202 1.00 1.52 O ATOM 51 CB LYS A 3 -26.907 -61.675 27.098 1.00 2.67 C ATOM 52 CG LYS A 3 -25.777 -61.838 28.126 1.00 2.46 C ATOM 53 CD LYS A 3 -26.301 -62.275 29.470 1.00 2.44 C ATOM 54 CE LYS A 3 -26.721 -63.695 29.622 1.00 2.80 C ATOM 55 NZ LYS A 3 -26.880 -64.160 31.025 1.00 2.13 N1+ ATOM 0 H LYS A 3 -25.212 -60.576 25.614 1.00 2.23 H new ATOM 0 HA LYS A 3 -26.396 -63.155 25.529 1.00 2.86 H new ATOM 0 HB2 LYS A 3 -27.195 -60.624 27.086 1.00 2.67 H new ATOM 0 HB3 LYS A 3 -27.768 -62.237 27.460 1.00 2.67 H new ATOM 0 HG2 LYS A 3 -25.057 -62.570 27.761 1.00 2.46 H new ATOM 0 HG3 LYS A 3 -25.244 -60.893 28.233 1.00 2.46 H new ATOM 0 HD2 LYS A 3 -25.529 -62.073 30.213 1.00 2.44 H new ATOM 0 HD3 LYS A 3 -27.155 -61.645 29.718 1.00 2.44 H new ATOM 0 HE2 LYS A 3 -27.667 -63.835 29.100 1.00 2.80 H new ATOM 0 HE3 LYS A 3 -25.986 -64.330 29.127 1.00 2.80 H new ATOM 0 HZ1 LYS A 3 -27.173 -65.158 31.029 1.00 2.13 H new ATOM 0 HZ2 LYS A 3 -25.975 -64.063 31.527 1.00 2.13 H new ATOM 0 HZ3 LYS A 3 -27.603 -63.585 31.502 1.00 2.13 H new ATOM 69 N GLY A 4 -27.941 -60.817 24.011 1.00 2.23 N ATOM 70 CA GLY A 4 -29.085 -60.468 23.142 1.00 2.38 C ATOM 71 C GLY A 4 -29.352 -61.504 22.114 1.00 2.04 C ATOM 72 O GLY A 4 -28.715 -62.524 22.019 1.00 1.52 O ATOM 0 H GLY A 4 -27.109 -60.251 23.842 1.00 2.23 H new ATOM 0 HA2 GLY A 4 -29.975 -60.331 23.756 1.00 2.38 H new ATOM 0 HA3 GLY A 4 -28.887 -59.515 22.651 1.00 2.38 H new ATOM 76 N ILE A 5 -30.320 -61.155 21.219 1.00 2.23 N ATOM 77 CA ILE A 5 -30.971 -62.006 20.180 1.00 2.86 C ATOM 78 C ILE A 5 -30.278 -61.588 18.797 1.00 2.04 C ATOM 79 O ILE A 5 -30.666 -62.031 17.659 1.00 1.52 O ATOM 80 CB ILE A 5 -32.508 -61.641 20.183 1.00 2.67 C ATOM 81 CG1 ILE A 5 -33.322 -62.495 19.167 1.00 2.46 C ATOM 82 CG2 ILE A 5 -32.766 -60.198 19.796 1.00 2.46 C ATOM 83 CD1 ILE A 5 -33.221 -64.022 19.382 1.00 2.44 C ATOM 0 H ILE A 5 -30.692 -60.205 21.204 1.00 2.23 H new ATOM 0 HA ILE A 5 -30.866 -63.078 20.347 1.00 2.86 H new ATOM 0 HB ILE A 5 -32.823 -61.835 21.208 1.00 2.67 H new ATOM 0 HG12 ILE A 5 -34.370 -62.202 19.224 1.00 2.46 H new ATOM 0 HG13 ILE A 5 -32.980 -62.260 18.159 1.00 2.46 H new ATOM 0 HG21 ILE A 5 -33.838 -60.002 19.815 1.00 2.46 H new ATOM 0 HG22 ILE A 5 -32.264 -59.537 20.502 1.00 2.46 H new ATOM 0 HG23 ILE A 5 -32.381 -60.016 18.792 1.00 2.46 H new ATOM 0 HD11 ILE A 5 -33.819 -64.536 18.629 1.00 2.44 H new ATOM 0 HD12 ILE A 5 -32.180 -64.334 19.293 1.00 2.44 H new ATOM 0 HD13 ILE A 5 -33.592 -64.275 20.375 1.00 2.44 H new ATOM 95 N CYS A 6 -29.276 -60.684 18.899 1.00 2.23 N ATOM 96 CA CYS A 6 -28.686 -59.910 17.863 1.00 2.86 C ATOM 97 C CYS A 6 -27.958 -60.718 16.826 1.00 2.04 C ATOM 98 O CYS A 6 -28.086 -60.456 15.662 1.00 1.52 O ATOM 99 CB CYS A 6 -27.760 -58.748 18.484 1.00 2.67 C ATOM 100 SG CYS A 6 -26.388 -59.342 19.440 1.00 2.00 S ATOM 0 H CYS A 6 -28.846 -60.485 19.802 1.00 2.23 H new ATOM 0 HA CYS A 6 -29.511 -59.448 17.320 1.00 2.86 H new ATOM 0 HB2 CYS A 6 -27.381 -58.128 17.671 1.00 2.67 H new ATOM 0 HB3 CYS A 6 -28.376 -58.106 19.114 1.00 2.67 H new ATOM 0 HG CYS A 6 -25.705 -58.333 19.893 1.00 2.00 H new ATOM 106 N PHE A 7 -27.265 -61.776 17.317 1.00 2.23 N ATOM 107 CA PHE A 7 -26.502 -62.578 16.299 1.00 2.86 C ATOM 108 C PHE A 7 -27.377 -63.359 15.446 1.00 2.04 C ATOM 109 O PHE A 7 -27.213 -63.294 14.229 1.00 1.52 O ATOM 110 CB PHE A 7 -25.472 -63.513 16.987 1.00 2.67 C ATOM 111 CG PHE A 7 -24.249 -62.747 17.449 1.00 2.46 C ATOM 112 CD1 PHE A 7 -23.374 -62.223 16.515 1.00 2.00 C ATOM 113 CD2 PHE A 7 -24.032 -62.354 18.794 1.00 2.00 C ATOM 114 CE1 PHE A 7 -22.216 -61.488 16.843 1.00 2.00 C ATOM 115 CE2 PHE A 7 -22.861 -61.745 19.212 1.00 2.00 C ATOM 116 CZ PHE A 7 -21.868 -61.384 18.249 1.00 2.00 C ATOM 0 H PHE A 7 -27.209 -62.078 18.290 1.00 2.23 H new ATOM 0 HA PHE A 7 -25.974 -61.860 15.671 1.00 2.86 H new ATOM 0 HB2 PHE A 7 -25.939 -64.005 17.841 1.00 2.67 H new ATOM 0 HB3 PHE A 7 -25.171 -64.297 16.293 1.00 2.67 H new ATOM 0 HD1 PHE A 7 -23.591 -62.387 15.470 1.00 2.00 H new ATOM 0 HD2 PHE A 7 -24.810 -62.537 19.520 1.00 2.00 H new ATOM 0 HE1 PHE A 7 -21.612 -61.021 16.079 1.00 2.00 H new ATOM 0 HE2 PHE A 7 -22.698 -61.544 20.261 1.00 2.00 H new ATOM 0 HZ PHE A 7 -20.890 -61.045 18.557 1.00 2.00 H new ATOM 126 N PHE A 8 -28.399 -63.982 16.069 1.00 2.23 N ATOM 127 CA PHE A 8 -29.335 -64.814 15.258 1.00 2.86 C ATOM 128 C PHE A 8 -30.207 -63.872 14.443 1.00 2.04 C ATOM 129 O PHE A 8 -30.607 -64.188 13.304 1.00 1.52 O ATOM 130 CB PHE A 8 -30.258 -65.700 16.059 1.00 2.67 C ATOM 131 CG PHE A 8 -29.537 -66.629 17.042 1.00 2.46 C ATOM 132 CD1 PHE A 8 -30.188 -66.942 18.246 1.00 2.00 C ATOM 133 CD2 PHE A 8 -28.401 -67.307 16.672 1.00 2.00 C ATOM 134 CE1 PHE A 8 -29.609 -67.924 19.100 1.00 2.00 C ATOM 135 CE2 PHE A 8 -27.737 -68.124 17.568 1.00 2.00 C ATOM 136 CZ PHE A 8 -28.309 -68.440 18.825 1.00 2.00 C ATOM 0 H PHE A 8 -28.598 -63.937 17.068 1.00 2.23 H new ATOM 0 HA PHE A 8 -28.711 -65.474 14.656 1.00 2.86 H new ATOM 0 HB2 PHE A 8 -30.955 -65.072 16.614 1.00 2.67 H new ATOM 0 HB3 PHE A 8 -30.850 -66.305 15.372 1.00 2.67 H new ATOM 0 HD1 PHE A 8 -31.109 -66.448 18.519 1.00 2.00 H new ATOM 0 HD2 PHE A 8 -28.021 -67.200 15.667 1.00 2.00 H new ATOM 0 HE1 PHE A 8 -30.157 -68.279 19.960 1.00 2.00 H new ATOM 0 HE2 PHE A 8 -26.770 -68.527 17.306 1.00 2.00 H new ATOM 0 HZ PHE A 8 -27.781 -69.047 19.546 1.00 2.00 H new ATOM 146 N CYS A 9 -30.600 -62.668 14.803 1.00 2.23 N ATOM 147 CA CYS A 9 -31.198 -61.608 14.081 1.00 2.86 C ATOM 148 C CYS A 9 -30.345 -61.092 12.858 1.00 2.04 C ATOM 149 O CYS A 9 -30.840 -60.765 11.806 1.00 1.52 O ATOM 150 CB CYS A 9 -31.763 -60.471 14.994 1.00 2.67 C ATOM 151 SG CYS A 9 -32.964 -59.351 14.146 1.00 2.00 S ATOM 0 H CYS A 9 -30.476 -62.387 15.776 1.00 2.23 H new ATOM 0 HA CYS A 9 -32.077 -62.053 13.615 1.00 2.86 H new ATOM 0 HB2 CYS A 9 -32.251 -60.922 15.858 1.00 2.67 H new ATOM 0 HB3 CYS A 9 -30.932 -59.876 15.372 1.00 2.67 H new ATOM 0 HG CYS A 9 -33.377 -58.445 14.982 1.00 2.00 H new ATOM 157 N SER A 10 -29.031 -61.080 13.058 1.00 2.23 N ATOM 158 CA SER A 10 -28.077 -60.657 12.077 1.00 2.86 C ATOM 159 C SER A 10 -27.745 -61.825 11.154 1.00 2.04 C ATOM 160 O SER A 10 -27.342 -61.690 9.975 1.00 1.52 O ATOM 161 CB SER A 10 -26.855 -60.001 12.645 1.00 2.67 C ATOM 162 OG SER A 10 -27.204 -58.872 13.436 1.00 1.64 O ATOM 0 H SER A 10 -28.604 -61.375 13.936 1.00 2.23 H new ATOM 0 HA SER A 10 -28.544 -59.864 11.493 1.00 2.86 H new ATOM 0 HB2 SER A 10 -26.302 -60.718 13.252 1.00 2.67 H new ATOM 0 HB3 SER A 10 -26.194 -59.692 11.835 1.00 2.67 H new ATOM 0 HG SER A 10 -27.555 -59.174 14.300 1.00 1.64 H new ATOM 168 N TYR A 11 -28.068 -63.104 11.583 1.00 2.23 N ATOM 169 CA TYR A 11 -28.173 -64.282 10.661 1.00 2.86 C ATOM 170 C TYR A 11 -29.438 -64.345 9.796 1.00 2.04 C ATOM 171 O TYR A 11 -29.517 -64.924 8.746 1.00 1.52 O ATOM 172 CB TYR A 11 -27.817 -65.598 11.351 1.00 2.67 C ATOM 173 CG TYR A 11 -26.567 -65.588 12.163 1.00 2.46 C ATOM 174 CD1 TYR A 11 -26.578 -66.367 13.260 1.00 2.00 C ATOM 175 CD2 TYR A 11 -25.355 -64.883 11.884 1.00 2.00 C ATOM 176 CE1 TYR A 11 -25.528 -66.337 14.217 1.00 2.00 C ATOM 177 CE2 TYR A 11 -24.325 -64.788 12.779 1.00 2.00 C ATOM 178 CZ TYR A 11 -24.425 -65.504 13.978 1.00 2.00 C ATOM 179 OH TYR A 11 -23.357 -65.516 14.878 1.00 1.85 O ATOM 0 H TYR A 11 -28.257 -63.332 12.559 1.00 2.23 H new ATOM 0 HA TYR A 11 -27.398 -64.108 9.915 1.00 2.86 H new ATOM 0 HB2 TYR A 11 -28.646 -65.883 11.999 1.00 2.67 H new ATOM 0 HB3 TYR A 11 -27.727 -66.373 10.590 1.00 2.67 H new ATOM 0 HD1 TYR A 11 -27.411 -67.036 13.418 1.00 2.00 H new ATOM 0 HD2 TYR A 11 -25.248 -64.403 10.922 1.00 2.00 H new ATOM 0 HE1 TYR A 11 -25.578 -66.943 15.110 1.00 2.00 H new ATOM 0 HE2 TYR A 11 -23.459 -64.178 12.567 1.00 2.00 H new ATOM 0 HH TYR A 11 -22.668 -64.887 14.577 1.00 1.85 H new ATOM 189 N ILE A 12 -30.547 -63.729 10.245 1.00 2.23 N ATOM 190 CA ILE A 12 -31.723 -63.436 9.418 1.00 2.86 C ATOM 191 C ILE A 12 -31.498 -62.427 8.316 1.00 2.04 C ATOM 192 O ILE A 12 -31.863 -62.655 7.148 1.00 1.52 O ATOM 193 CB ILE A 12 -32.892 -62.949 10.293 1.00 2.67 C ATOM 194 CG1 ILE A 12 -33.269 -64.213 11.070 1.00 2.46 C ATOM 195 CG2 ILE A 12 -34.080 -62.354 9.573 1.00 2.46 C ATOM 196 CD1 ILE A 12 -34.014 -63.900 12.381 1.00 2.44 C ATOM 0 H ILE A 12 -30.649 -63.417 11.211 1.00 2.23 H new ATOM 0 HA ILE A 12 -31.954 -64.384 8.931 1.00 2.86 H new ATOM 0 HB ILE A 12 -32.582 -62.100 10.903 1.00 2.67 H new ATOM 0 HG12 ILE A 12 -33.895 -64.848 10.443 1.00 2.46 H new ATOM 0 HG13 ILE A 12 -32.366 -64.780 11.296 1.00 2.46 H new ATOM 0 HG21 ILE A 12 -34.832 -62.051 10.301 1.00 2.46 H new ATOM 0 HG22 ILE A 12 -33.760 -61.485 8.999 1.00 2.46 H new ATOM 0 HG23 ILE A 12 -34.506 -63.097 8.899 1.00 2.46 H new ATOM 0 HD11 ILE A 12 -34.258 -64.831 12.892 1.00 2.44 H new ATOM 0 HD12 ILE A 12 -33.380 -63.289 13.023 1.00 2.44 H new ATOM 0 HD13 ILE A 12 -34.933 -63.358 12.157 1.00 2.44 H new ATOM 208 N ILE A 13 -30.836 -61.271 8.578 1.00 2.23 N ATOM 209 CA ILE A 13 -30.562 -60.254 7.524 1.00 2.86 C ATOM 210 C ILE A 13 -29.791 -60.809 6.305 1.00 2.04 C ATOM 211 O ILE A 13 -30.334 -60.586 5.219 1.00 1.52 O ATOM 212 CB ILE A 13 -29.789 -59.107 8.170 1.00 2.67 C ATOM 213 CG1 ILE A 13 -30.543 -58.415 9.331 1.00 2.46 C ATOM 214 CG2 ILE A 13 -29.525 -57.996 7.086 1.00 2.46 C ATOM 215 CD1 ILE A 13 -29.731 -57.485 10.186 1.00 2.44 C ATOM 0 H ILE A 13 -30.484 -61.019 9.501 1.00 2.23 H new ATOM 0 HA ILE A 13 -31.519 -59.916 7.126 1.00 2.86 H new ATOM 0 HB ILE A 13 -28.877 -59.550 8.569 1.00 2.67 H new ATOM 0 HG12 ILE A 13 -31.378 -57.854 8.911 1.00 2.46 H new ATOM 0 HG13 ILE A 13 -30.968 -59.187 9.972 1.00 2.46 H new ATOM 0 HG21 ILE A 13 -28.973 -57.171 7.537 1.00 2.46 H new ATOM 0 HG22 ILE A 13 -28.942 -58.418 6.267 1.00 2.46 H new ATOM 0 HG23 ILE A 13 -30.477 -57.629 6.702 1.00 2.46 H new ATOM 0 HD11 ILE A 13 -30.365 -57.060 10.965 1.00 2.44 H new ATOM 0 HD12 ILE A 13 -28.911 -58.036 10.646 1.00 2.44 H new ATOM 0 HD13 ILE A 13 -29.327 -56.682 9.569 1.00 2.44 H new ATOM 227 N ILE A 14 -28.706 -61.643 6.551 1.00 2.23 N ATOM 228 CA ILE A 14 -28.070 -62.382 5.467 1.00 2.86 C ATOM 229 C ILE A 14 -28.997 -63.330 4.696 1.00 2.04 C ATOM 230 O ILE A 14 -28.896 -63.446 3.445 1.00 1.52 O ATOM 231 CB ILE A 14 -26.811 -63.090 5.844 1.00 2.67 C ATOM 232 CG1 ILE A 14 -26.996 -64.218 6.826 1.00 2.46 C ATOM 233 CG2 ILE A 14 -25.834 -61.894 6.280 1.00 2.46 C ATOM 234 CD1 ILE A 14 -25.655 -64.895 6.980 1.00 2.44 C ATOM 0 H ILE A 14 -28.292 -61.793 7.471 1.00 2.23 H new ATOM 0 HA ILE A 14 -27.798 -61.575 4.787 1.00 2.86 H new ATOM 0 HB ILE A 14 -26.375 -63.664 5.026 1.00 2.67 H new ATOM 0 HG12 ILE A 14 -27.349 -63.840 7.785 1.00 2.46 H new ATOM 0 HG13 ILE A 14 -27.745 -64.923 6.466 1.00 2.46 H new ATOM 0 HG21 ILE A 14 -24.869 -62.303 6.580 1.00 2.46 H new ATOM 0 HG22 ILE A 14 -25.694 -61.214 5.440 1.00 2.46 H new ATOM 0 HG23 ILE A 14 -26.274 -61.352 7.117 1.00 2.46 H new ATOM 0 HD11 ILE A 14 -25.743 -65.721 7.685 1.00 2.44 H new ATOM 0 HD12 ILE A 14 -25.327 -65.277 6.013 1.00 2.44 H new ATOM 0 HD13 ILE A 14 -24.925 -64.176 7.353 1.00 2.44 H new ATOM 246 N SER A 15 -29.898 -64.070 5.407 1.00 2.23 N ATOM 247 CA SER A 15 -30.899 -64.914 4.772 1.00 2.86 C ATOM 248 C SER A 15 -31.920 -64.105 3.970 1.00 2.04 C ATOM 249 O SER A 15 -32.411 -64.574 2.932 1.00 1.52 O ATOM 250 CB SER A 15 -31.773 -65.682 5.771 1.00 2.67 C ATOM 251 OG SER A 15 -30.906 -66.525 6.496 1.00 1.64 O ATOM 0 H SER A 15 -29.933 -64.084 6.426 1.00 2.23 H new ATOM 0 HA SER A 15 -30.297 -65.580 4.154 1.00 2.86 H new ATOM 0 HB2 SER A 15 -32.294 -64.996 6.438 1.00 2.67 H new ATOM 0 HB3 SER A 15 -32.536 -66.263 5.253 1.00 2.67 H new ATOM 0 HG SER A 15 -30.468 -66.011 7.206 1.00 1.64 H new ATOM 257 N PHE A 16 -32.354 -62.930 4.409 1.00 2.23 N ATOM 258 CA PHE A 16 -33.223 -62.115 3.490 1.00 2.86 C ATOM 259 C PHE A 16 -32.536 -61.546 2.317 1.00 2.04 C ATOM 260 O PHE A 16 -33.015 -61.583 1.215 1.00 1.52 O ATOM 261 CB PHE A 16 -33.749 -60.910 4.240 1.00 2.67 C ATOM 262 CG PHE A 16 -34.843 -61.109 5.198 1.00 2.46 C ATOM 263 CD1 PHE A 16 -34.957 -60.158 6.260 1.00 2.00 C ATOM 264 CD2 PHE A 16 -35.801 -62.145 5.110 1.00 2.00 C ATOM 265 CE1 PHE A 16 -35.971 -60.253 7.247 1.00 2.00 C ATOM 266 CE2 PHE A 16 -36.883 -62.130 6.072 1.00 2.00 C ATOM 267 CZ PHE A 16 -36.951 -61.268 7.185 1.00 2.00 C ATOM 0 H PHE A 16 -32.153 -62.520 5.321 1.00 2.23 H new ATOM 0 HA PHE A 16 -33.985 -62.816 3.150 1.00 2.86 H new ATOM 0 HB2 PHE A 16 -32.913 -60.463 4.778 1.00 2.67 H new ATOM 0 HB3 PHE A 16 -34.081 -60.179 3.503 1.00 2.67 H new ATOM 0 HD1 PHE A 16 -34.250 -59.343 6.312 1.00 2.00 H new ATOM 0 HD2 PHE A 16 -35.729 -62.915 4.357 1.00 2.00 H new ATOM 0 HE1 PHE A 16 -35.994 -59.539 8.057 1.00 2.00 H new ATOM 0 HE2 PHE A 16 -37.694 -62.828 5.927 1.00 2.00 H new ATOM 0 HZ PHE A 16 -37.709 -61.377 7.947 1.00 2.00 H new ATOM 277 N LEU A 17 -31.289 -61.109 2.516 1.00 2.23 N ATOM 278 CA LEU A 17 -30.498 -60.549 1.468 1.00 2.86 C ATOM 279 C LEU A 17 -30.241 -61.365 0.118 1.00 2.04 C ATOM 280 O LEU A 17 -30.094 -60.859 -1.001 1.00 1.52 O ATOM 281 CB LEU A 17 -29.115 -60.074 2.071 1.00 2.67 C ATOM 282 CG LEU A 17 -28.373 -58.928 1.335 1.00 2.46 C ATOM 283 CD1 LEU A 17 -29.109 -57.591 1.553 1.00 2.44 C ATOM 284 CD2 LEU A 17 -26.902 -58.924 1.790 1.00 2.44 C ATOM 0 H LEU A 17 -30.817 -61.143 3.420 1.00 2.23 H new ATOM 0 HA LEU A 17 -31.140 -59.745 1.107 1.00 2.86 H new ATOM 0 HB2 LEU A 17 -29.287 -59.758 3.100 1.00 2.67 H new ATOM 0 HB3 LEU A 17 -28.450 -60.937 2.109 1.00 2.67 H new ATOM 0 HG LEU A 17 -28.372 -59.083 0.256 1.00 2.46 H new ATOM 0 HD11 LEU A 17 -28.578 -56.794 1.031 1.00 2.44 H new ATOM 0 HD12 LEU A 17 -30.124 -57.667 1.163 1.00 2.44 H new ATOM 0 HD13 LEU A 17 -29.146 -57.365 2.619 1.00 2.44 H new ATOM 0 HD21 LEU A 17 -26.366 -58.123 1.281 1.00 2.44 H new ATOM 0 HD22 LEU A 17 -26.855 -58.765 2.867 1.00 2.44 H new ATOM 0 HD23 LEU A 17 -26.443 -59.881 1.544 1.00 2.44 H new ATOM 296 N ILE A 18 -30.118 -62.677 0.317 1.00 2.23 N ATOM 297 CA ILE A 18 -29.962 -63.608 -0.767 1.00 2.86 C ATOM 298 C ILE A 18 -31.231 -63.638 -1.655 1.00 2.04 C ATOM 299 O ILE A 18 -31.104 -63.719 -2.895 1.00 1.52 O ATOM 300 CB ILE A 18 -29.572 -65.008 -0.360 1.00 2.67 C ATOM 301 CG1 ILE A 18 -30.405 -65.519 0.750 1.00 2.46 C ATOM 302 CG2 ILE A 18 -28.039 -64.970 0.060 1.00 2.46 C ATOM 303 CD1 ILE A 18 -30.090 -67.047 0.869 1.00 2.44 C ATOM 0 H ILE A 18 -30.125 -63.111 1.240 1.00 2.23 H new ATOM 0 HA ILE A 18 -29.114 -63.229 -1.338 1.00 2.86 H new ATOM 0 HB ILE A 18 -29.732 -65.688 -1.196 1.00 2.67 H new ATOM 0 HG12 ILE A 18 -30.173 -65.001 1.680 1.00 2.46 H new ATOM 0 HG13 ILE A 18 -31.464 -65.355 0.549 1.00 2.46 H new ATOM 0 HG21 ILE A 18 -27.720 -65.968 0.362 1.00 2.46 H new ATOM 0 HG22 ILE A 18 -27.438 -64.637 -0.786 1.00 2.46 H new ATOM 0 HG23 ILE A 18 -27.907 -64.279 0.893 1.00 2.46 H new ATOM 0 HD11 ILE A 18 -30.680 -67.478 1.677 1.00 2.44 H new ATOM 0 HD12 ILE A 18 -30.340 -67.544 -0.068 1.00 2.44 H new ATOM 0 HD13 ILE A 18 -29.030 -67.184 1.081 1.00 2.44 H new ATOM 315 N VAL A 19 -32.482 -63.458 -1.154 1.00 2.23 N ATOM 316 CA VAL A 19 -33.760 -63.420 -1.936 1.00 2.86 C ATOM 317 C VAL A 19 -33.779 -62.098 -2.705 1.00 2.04 C ATOM 318 O VAL A 19 -34.208 -62.002 -3.838 1.00 1.52 O ATOM 319 CB VAL A 19 -35.007 -63.690 -1.175 1.00 2.67 C ATOM 320 CG1 VAL A 19 -36.085 -64.438 -2.081 1.00 2.46 C ATOM 321 CG2 VAL A 19 -34.650 -64.549 0.008 1.00 2.46 C ATOM 0 H VAL A 19 -32.641 -63.330 -0.155 1.00 2.23 H new ATOM 0 HA VAL A 19 -33.761 -64.268 -2.621 1.00 2.86 H new ATOM 0 HB VAL A 19 -35.447 -62.747 -0.851 1.00 2.67 H new ATOM 0 HG11 VAL A 19 -36.987 -64.622 -1.497 1.00 2.46 H new ATOM 0 HG12 VAL A 19 -36.331 -63.816 -2.942 1.00 2.46 H new ATOM 0 HG13 VAL A 19 -35.675 -65.388 -2.425 1.00 2.46 H new ATOM 0 HG21 VAL A 19 -35.549 -64.764 0.586 1.00 2.46 H new ATOM 0 HG22 VAL A 19 -34.211 -65.484 -0.340 1.00 2.46 H new ATOM 0 HG23 VAL A 19 -33.931 -64.023 0.636 1.00 2.46 H new ATOM 331 N VAL A 20 -33.368 -60.975 -2.072 1.00 2.23 N ATOM 332 CA VAL A 20 -33.091 -59.627 -2.676 1.00 2.86 C ATOM 333 C VAL A 20 -32.130 -59.715 -3.846 1.00 2.04 C ATOM 334 O VAL A 20 -32.502 -59.246 -4.924 1.00 1.52 O ATOM 335 CB VAL A 20 -32.563 -58.642 -1.705 1.00 2.67 C ATOM 336 CG1 VAL A 20 -32.233 -57.277 -2.288 1.00 2.46 C ATOM 337 CG2 VAL A 20 -33.474 -58.456 -0.477 1.00 2.46 C ATOM 0 H VAL A 20 -33.208 -60.973 -1.065 1.00 2.23 H new ATOM 0 HA VAL A 20 -34.064 -59.277 -3.022 1.00 2.86 H new ATOM 0 HB VAL A 20 -31.622 -59.096 -1.394 1.00 2.67 H new ATOM 0 HG11 VAL A 20 -31.854 -56.627 -1.500 1.00 2.46 H new ATOM 0 HG12 VAL A 20 -31.475 -57.386 -3.064 1.00 2.46 H new ATOM 0 HG13 VAL A 20 -33.133 -56.838 -2.719 1.00 2.46 H new ATOM 0 HG21 VAL A 20 -33.032 -57.722 0.196 1.00 2.46 H new ATOM 0 HG22 VAL A 20 -34.454 -58.107 -0.801 1.00 2.46 H new ATOM 0 HG23 VAL A 20 -33.581 -59.407 0.044 1.00 2.46 H new ATOM 347 N ASN A 21 -30.999 -60.435 -3.659 1.00 2.23 N ATOM 348 CA ASN A 21 -29.954 -60.683 -4.657 1.00 2.86 C ATOM 349 C ASN A 21 -30.531 -61.401 -5.890 1.00 2.04 C ATOM 350 O ASN A 21 -30.305 -60.922 -7.011 1.00 1.52 O ATOM 351 CB ASN A 21 -28.755 -61.513 -4.029 1.00 2.67 C ATOM 352 CG ASN A 21 -27.679 -60.484 -3.641 1.00 1.98 C ATOM 353 OD1 ASN A 21 -26.610 -60.404 -4.199 1.00 1.42 O ATOM 354 ND2 ASN A 21 -27.932 -59.605 -2.571 1.00 2.15 N ATOM 0 H ASN A 21 -30.789 -60.876 -2.763 1.00 2.23 H new ATOM 0 HA ASN A 21 -29.563 -59.718 -4.981 1.00 2.86 H new ATOM 0 HB2 ASN A 21 -29.086 -62.077 -3.157 1.00 2.67 H new ATOM 0 HB3 ASN A 21 -28.363 -62.235 -4.746 1.00 2.67 H new ATOM 0 HD21 ASN A 21 -27.223 -58.928 -2.289 1.00 2.15 H new ATOM 0 HD22 ASN A 21 -28.824 -59.645 -2.078 1.00 2.15 H new ATOM 361 N MET A 22 -31.326 -62.462 -5.582 1.00 2.23 N ATOM 362 CA MET A 22 -31.899 -63.353 -6.573 1.00 2.86 C ATOM 363 C MET A 22 -32.992 -62.611 -7.393 1.00 2.04 C ATOM 364 O MET A 22 -33.016 -62.564 -8.654 1.00 1.52 O ATOM 365 CB MET A 22 -32.363 -64.710 -6.039 1.00 2.67 C ATOM 366 CG MET A 22 -31.242 -65.730 -5.640 1.00 2.46 C ATOM 367 SD MET A 22 -31.763 -67.364 -5.098 1.00 2.00 S ATOM 368 CE MET A 22 -30.795 -67.579 -3.581 1.00 2.10 C ATOM 0 H MET A 22 -31.576 -62.707 -4.624 1.00 2.23 H new ATOM 0 HA MET A 22 -31.085 -63.626 -7.245 1.00 2.86 H new ATOM 0 HB2 MET A 22 -32.991 -64.535 -5.165 1.00 2.67 H new ATOM 0 HB3 MET A 22 -32.993 -65.176 -6.796 1.00 2.67 H new ATOM 0 HG2 MET A 22 -30.580 -65.855 -6.497 1.00 2.46 H new ATOM 0 HG3 MET A 22 -30.649 -65.284 -4.842 1.00 2.46 H new ATOM 0 HE1 MET A 22 -31.020 -68.550 -3.140 1.00 2.10 H new ATOM 0 HE2 MET A 22 -29.732 -67.525 -3.817 1.00 2.10 H new ATOM 0 HE3 MET A 22 -31.050 -66.791 -2.872 1.00 2.10 H new ATOM 378 N TYR A 23 -33.814 -61.707 -6.725 1.00 2.23 N ATOM 379 CA TYR A 23 -34.741 -60.745 -7.378 1.00 2.86 C ATOM 380 C TYR A 23 -34.085 -59.778 -8.256 1.00 2.04 C ATOM 381 O TYR A 23 -34.461 -59.607 -9.411 1.00 1.52 O ATOM 382 CB TYR A 23 -35.727 -59.856 -6.464 1.00 2.67 C ATOM 383 CG TYR A 23 -36.814 -59.083 -7.180 1.00 2.46 C ATOM 384 CD1 TYR A 23 -36.748 -57.752 -7.449 1.00 2.00 C ATOM 385 CD2 TYR A 23 -37.898 -59.804 -7.641 1.00 2.00 C ATOM 386 CE1 TYR A 23 -37.671 -57.128 -8.231 1.00 2.00 C ATOM 387 CE2 TYR A 23 -38.831 -59.202 -8.534 1.00 2.00 C ATOM 388 CZ TYR A 23 -38.731 -57.848 -8.829 1.00 2.00 C ATOM 389 OH TYR A 23 -39.739 -57.185 -9.552 1.00 1.85 O ATOM 0 H TYR A 23 -33.834 -61.644 -5.707 1.00 2.23 H new ATOM 0 HA TYR A 23 -35.342 -61.484 -7.907 1.00 2.86 H new ATOM 0 HB2 TYR A 23 -36.202 -60.515 -5.737 1.00 2.67 H new ATOM 0 HB3 TYR A 23 -35.120 -59.146 -5.902 1.00 2.67 H new ATOM 0 HD1 TYR A 23 -35.939 -57.172 -7.030 1.00 2.00 H new ATOM 0 HD2 TYR A 23 -38.039 -60.827 -7.324 1.00 2.00 H new ATOM 0 HE1 TYR A 23 -37.592 -56.064 -8.398 1.00 2.00 H new ATOM 0 HE2 TYR A 23 -39.614 -59.797 -8.980 1.00 2.00 H new ATOM 0 HH TYR A 23 -40.383 -57.841 -9.892 1.00 1.85 H new ATOM 399 N ILE A 24 -32.983 -59.202 -7.875 1.00 2.23 N ATOM 400 CA ILE A 24 -32.189 -58.159 -8.688 1.00 2.86 C ATOM 401 C ILE A 24 -31.644 -58.704 -10.036 1.00 2.04 C ATOM 402 O ILE A 24 -31.811 -58.054 -11.105 1.00 1.52 O ATOM 403 CB ILE A 24 -31.122 -57.496 -7.820 1.00 2.67 C ATOM 404 CG1 ILE A 24 -31.780 -56.696 -6.700 1.00 2.46 C ATOM 405 CG2 ILE A 24 -30.230 -56.623 -8.744 1.00 2.46 C ATOM 406 CD1 ILE A 24 -30.793 -56.008 -5.819 1.00 2.44 C ATOM 0 H ILE A 24 -32.550 -59.409 -6.975 1.00 2.23 H new ATOM 0 HA ILE A 24 -32.891 -57.381 -8.987 1.00 2.86 H new ATOM 0 HB ILE A 24 -30.490 -58.238 -7.332 1.00 2.67 H new ATOM 0 HG12 ILE A 24 -32.449 -55.954 -7.136 1.00 2.46 H new ATOM 0 HG13 ILE A 24 -32.394 -57.364 -6.096 1.00 2.46 H new ATOM 0 HG21 ILE A 24 -29.457 -56.136 -8.149 1.00 2.46 H new ATOM 0 HG22 ILE A 24 -29.763 -57.254 -9.500 1.00 2.46 H new ATOM 0 HG23 ILE A 24 -30.843 -55.866 -9.232 1.00 2.46 H new ATOM 0 HD11 ILE A 24 -31.322 -55.456 -5.042 1.00 2.44 H new ATOM 0 HD12 ILE A 24 -30.139 -56.748 -5.357 1.00 2.44 H new ATOM 0 HD13 ILE A 24 -30.195 -55.316 -6.413 1.00 2.44 H new ATOM 418 N ALA A 25 -31.109 -59.948 -9.906 1.00 2.23 N ATOM 419 CA ALA A 25 -30.747 -60.726 -11.070 1.00 2.86 C ATOM 420 C ALA A 25 -31.863 -60.980 -12.124 1.00 2.04 C ATOM 421 O ALA A 25 -31.613 -60.736 -13.290 1.00 1.52 O ATOM 422 CB ALA A 25 -30.072 -62.077 -10.704 1.00 2.67 C ATOM 0 H ALA A 25 -30.930 -60.407 -9.013 1.00 2.23 H new ATOM 0 HA ALA A 25 -30.032 -60.063 -11.557 1.00 2.86 H new ATOM 0 HB1 ALA A 25 -29.822 -62.618 -11.617 1.00 2.67 H new ATOM 0 HB2 ALA A 25 -29.162 -61.887 -10.135 1.00 2.67 H new ATOM 0 HB3 ALA A 25 -30.757 -62.675 -10.104 1.00 2.67 H new ATOM 428 N ILE A 26 -33.057 -61.399 -11.660 1.00 2.23 N ATOM 429 CA ILE A 26 -34.263 -61.535 -12.396 1.00 2.86 C ATOM 430 C ILE A 26 -34.648 -60.229 -12.962 1.00 2.04 C ATOM 431 O ILE A 26 -34.988 -60.234 -14.132 1.00 1.52 O ATOM 432 CB ILE A 26 -35.444 -61.977 -11.580 1.00 2.67 C ATOM 433 CG1 ILE A 26 -35.255 -63.477 -11.151 1.00 2.46 C ATOM 434 CG2 ILE A 26 -36.845 -61.768 -12.259 1.00 2.46 C ATOM 435 CD1 ILE A 26 -36.105 -64.058 -10.028 1.00 2.44 C ATOM 0 H ILE A 26 -33.179 -61.663 -10.682 1.00 2.23 H new ATOM 0 HA ILE A 26 -34.044 -62.295 -13.146 1.00 2.86 H new ATOM 0 HB ILE A 26 -35.462 -61.323 -10.708 1.00 2.67 H new ATOM 0 HG12 ILE A 26 -35.422 -64.091 -12.036 1.00 2.46 H new ATOM 0 HG13 ILE A 26 -34.210 -63.604 -10.867 1.00 2.46 H new ATOM 0 HG21 ILE A 26 -37.630 -62.119 -11.589 1.00 2.46 H new ATOM 0 HG22 ILE A 26 -36.993 -60.709 -12.469 1.00 2.46 H new ATOM 0 HG23 ILE A 26 -36.885 -62.331 -13.191 1.00 2.46 H new ATOM 0 HD11 ILE A 26 -35.836 -65.103 -9.871 1.00 2.44 H new ATOM 0 HD12 ILE A 26 -35.929 -63.497 -9.111 1.00 2.44 H new ATOM 0 HD13 ILE A 26 -37.159 -63.991 -10.298 1.00 2.44 H new ATOM 447 N ILE A 27 -34.636 -59.091 -12.241 1.00 2.23 N ATOM 448 CA ILE A 27 -34.949 -57.807 -12.915 1.00 2.86 C ATOM 449 C ILE A 27 -33.941 -57.315 -14.031 1.00 2.04 C ATOM 450 O ILE A 27 -34.474 -56.796 -15.036 1.00 1.52 O ATOM 451 CB ILE A 27 -35.471 -56.781 -11.958 1.00 2.67 C ATOM 452 CG1 ILE A 27 -34.441 -56.279 -10.840 1.00 2.46 C ATOM 453 CG2 ILE A 27 -36.850 -57.216 -11.397 1.00 2.46 C ATOM 454 CD1 ILE A 27 -34.914 -55.003 -10.142 1.00 2.44 C ATOM 0 H ILE A 27 -34.426 -59.027 -11.245 1.00 2.23 H new ATOM 0 HA ILE A 27 -35.792 -58.028 -13.570 1.00 2.86 H new ATOM 0 HB ILE A 27 -35.614 -55.873 -12.544 1.00 2.67 H new ATOM 0 HG12 ILE A 27 -34.302 -57.066 -10.098 1.00 2.46 H new ATOM 0 HG13 ILE A 27 -33.469 -56.099 -11.300 1.00 2.46 H new ATOM 0 HG21 ILE A 27 -37.216 -56.459 -10.703 1.00 2.46 H new ATOM 0 HG22 ILE A 27 -37.558 -57.328 -12.218 1.00 2.46 H new ATOM 0 HG23 ILE A 27 -36.747 -58.167 -10.875 1.00 2.46 H new ATOM 0 HD11 ILE A 27 -34.180 -54.705 -9.393 1.00 2.44 H new ATOM 0 HD12 ILE A 27 -35.027 -54.206 -10.877 1.00 2.44 H new ATOM 0 HD13 ILE A 27 -35.873 -55.187 -9.657 1.00 2.44 H new ATOM 466 N LEU A 28 -32.580 -57.434 -13.778 1.00 2.23 N ATOM 467 CA LEU A 28 -31.604 -57.119 -14.759 1.00 2.86 C ATOM 468 C LEU A 28 -31.725 -57.936 -16.015 1.00 2.04 C ATOM 469 O LEU A 28 -31.558 -57.360 -17.083 1.00 1.52 O ATOM 470 CB LEU A 28 -30.181 -57.394 -14.195 1.00 2.67 C ATOM 471 CG LEU A 28 -29.695 -56.372 -13.125 1.00 2.46 C ATOM 472 CD1 LEU A 28 -28.467 -56.789 -12.335 1.00 2.44 C ATOM 473 CD2 LEU A 28 -29.594 -54.916 -13.752 1.00 2.44 C ATOM 0 H LEU A 28 -32.194 -57.749 -12.888 1.00 2.23 H new ATOM 0 HA LEU A 28 -31.768 -56.069 -15.002 1.00 2.86 H new ATOM 0 HB2 LEU A 28 -30.165 -58.392 -13.757 1.00 2.67 H new ATOM 0 HB3 LEU A 28 -29.472 -57.398 -15.023 1.00 2.67 H new ATOM 0 HG LEU A 28 -30.465 -56.352 -12.353 1.00 2.46 H new ATOM 0 HD11 LEU A 28 -28.213 -56.008 -11.618 1.00 2.44 H new ATOM 0 HD12 LEU A 28 -28.675 -57.717 -11.802 1.00 2.44 H new ATOM 0 HD13 LEU A 28 -27.630 -56.942 -13.017 1.00 2.44 H new ATOM 0 HD21 LEU A 28 -29.253 -54.215 -12.990 1.00 2.44 H new ATOM 0 HD22 LEU A 28 -28.886 -54.925 -14.580 1.00 2.44 H new ATOM 0 HD23 LEU A 28 -30.574 -54.608 -14.116 1.00 2.44 H new ATOM 485 N GLU A 29 -32.215 -59.213 -15.910 1.00 2.23 N ATOM 486 CA GLU A 29 -32.578 -59.990 -17.077 1.00 2.86 C ATOM 487 C GLU A 29 -33.816 -59.547 -17.766 1.00 2.04 C ATOM 488 O GLU A 29 -33.856 -59.261 -18.952 1.00 1.52 O ATOM 489 CB GLU A 29 -32.638 -61.511 -16.477 1.00 2.67 C ATOM 490 CG GLU A 29 -32.839 -62.660 -17.529 1.00 2.77 C ATOM 491 CD GLU A 29 -31.787 -62.690 -18.664 1.00 1.98 C ATOM 492 OE1 GLU A 29 -31.903 -61.892 -19.631 1.00 1.40 O ATOM 493 OE2 GLU A 29 -30.776 -63.452 -18.575 1.00 1.40 O1- ATOM 0 H GLU A 29 -32.356 -59.696 -15.023 1.00 2.23 H new ATOM 0 HA GLU A 29 -31.864 -59.881 -17.893 1.00 2.86 H new ATOM 0 HB2 GLU A 29 -31.713 -61.702 -15.932 1.00 2.67 H new ATOM 0 HB3 GLU A 29 -33.451 -61.563 -15.753 1.00 2.67 H new ATOM 0 HG2 GLU A 29 -32.819 -63.618 -17.009 1.00 2.77 H new ATOM 0 HG3 GLU A 29 -33.829 -62.558 -17.973 1.00 2.77 H new ATOM 500 N ASN A 30 -34.854 -59.278 -16.896 1.00 2.23 N ATOM 501 CA ASN A 30 -36.239 -58.975 -17.259 1.00 2.86 C ATOM 502 C ASN A 30 -36.326 -57.751 -18.116 1.00 2.04 C ATOM 503 O ASN A 30 -37.157 -57.600 -19.004 1.00 1.52 O ATOM 504 CB ASN A 30 -37.192 -58.766 -16.081 1.00 2.67 C ATOM 505 CG ASN A 30 -38.683 -58.882 -16.432 1.00 1.98 C ATOM 506 OD1 ASN A 30 -39.144 -59.956 -16.889 1.00 1.42 O ATOM 507 ND2 ASN A 30 -39.471 -57.769 -16.195 1.00 2.15 N ATOM 0 H ASN A 30 -34.713 -59.273 -15.886 1.00 2.23 H new ATOM 0 HA ASN A 30 -36.557 -59.871 -17.793 1.00 2.86 H new ATOM 0 HB2 ASN A 30 -36.957 -59.497 -15.307 1.00 2.67 H new ATOM 0 HB3 ASN A 30 -37.009 -57.780 -15.654 1.00 2.67 H new ATOM 0 HD21 ASN A 30 -40.471 -57.801 -16.393 1.00 2.15 H new ATOM 0 HD22 ASN A 30 -39.052 -56.917 -15.822 1.00 2.15 H new ATOM 514 N PHE A 31 -35.461 -56.792 -17.852 1.00 2.23 N ATOM 515 CA PHE A 31 -35.482 -55.501 -18.510 1.00 2.86 C ATOM 516 C PHE A 31 -35.117 -55.671 -20.056 1.00 2.04 C ATOM 517 O PHE A 31 -35.713 -55.016 -20.885 1.00 1.52 O ATOM 518 CB PHE A 31 -34.522 -54.472 -17.880 1.00 2.67 C ATOM 519 CG PHE A 31 -34.877 -54.040 -16.378 1.00 2.46 C ATOM 520 CD1 PHE A 31 -33.819 -53.486 -15.590 1.00 2.00 C ATOM 521 CD2 PHE A 31 -36.161 -54.098 -15.802 1.00 2.00 C ATOM 522 CE1 PHE A 31 -34.083 -52.934 -14.353 1.00 2.00 C ATOM 523 CE2 PHE A 31 -36.396 -53.691 -14.503 1.00 2.00 C ATOM 524 CZ PHE A 31 -35.375 -53.092 -13.785 1.00 2.00 C ATOM 0 H PHE A 31 -34.713 -56.889 -17.165 1.00 2.23 H new ATOM 0 HA PHE A 31 -36.494 -55.115 -18.387 1.00 2.86 H new ATOM 0 HB2 PHE A 31 -33.513 -54.884 -17.894 1.00 2.67 H new ATOM 0 HB3 PHE A 31 -34.510 -53.579 -18.505 1.00 2.67 H new ATOM 0 HD1 PHE A 31 -32.807 -53.500 -15.966 1.00 2.00 H new ATOM 0 HD2 PHE A 31 -36.985 -54.471 -16.392 1.00 2.00 H new ATOM 0 HE1 PHE A 31 -33.316 -52.388 -13.823 1.00 2.00 H new ATOM 0 HE2 PHE A 31 -37.366 -53.839 -14.052 1.00 2.00 H new ATOM 0 HZ PHE A 31 -35.563 -52.741 -12.781 1.00 2.00 H new ATOM 534 N LYS A 32 -34.152 -56.539 -20.397 1.00 2.23 N ATOM 535 CA LYS A 32 -33.789 -56.696 -21.815 1.00 2.86 C ATOM 536 C LYS A 32 -34.985 -57.232 -22.671 1.00 2.04 C ATOM 537 O LYS A 32 -35.244 -56.841 -23.818 1.00 1.52 O ATOM 538 CB LYS A 32 -32.598 -57.620 -22.073 1.00 2.67 C ATOM 539 CG LYS A 32 -32.018 -57.719 -23.540 1.00 2.46 C ATOM 540 CD LYS A 32 -30.624 -58.376 -23.607 1.00 2.44 C ATOM 541 CE LYS A 32 -30.188 -58.574 -25.117 1.00 2.80 C ATOM 542 NZ LYS A 32 -28.824 -58.959 -25.192 1.00 2.13 N1+ ATOM 0 H LYS A 32 -33.628 -57.121 -19.743 1.00 2.23 H new ATOM 0 HA LYS A 32 -33.510 -55.685 -22.113 1.00 2.86 H new ATOM 0 HB2 LYS A 32 -31.787 -57.304 -21.417 1.00 2.67 H new ATOM 0 HB3 LYS A 32 -32.886 -58.625 -21.763 1.00 2.67 H new ATOM 0 HG2 LYS A 32 -32.710 -58.290 -24.158 1.00 2.46 H new ATOM 0 HG3 LYS A 32 -31.960 -56.718 -23.968 1.00 2.46 H new ATOM 0 HD2 LYS A 32 -29.895 -57.754 -23.088 1.00 2.44 H new ATOM 0 HD3 LYS A 32 -30.642 -59.339 -23.096 1.00 2.44 H new ATOM 0 HE2 LYS A 32 -30.813 -59.334 -25.586 1.00 2.80 H new ATOM 0 HE3 LYS A 32 -30.342 -57.648 -25.671 1.00 2.80 H new ATOM 0 HZ1 LYS A 32 -28.553 -59.085 -26.188 1.00 2.13 H new ATOM 0 HZ2 LYS A 32 -28.231 -58.221 -24.763 1.00 2.13 H new ATOM 0 HZ3 LYS A 32 -28.687 -59.854 -24.680 1.00 2.13 H new ATOM 556 N LYS A 33 -35.868 -58.081 -22.117 1.00 2.23 N ATOM 557 CA LYS A 33 -37.006 -58.641 -22.769 1.00 2.86 C ATOM 558 C LYS A 33 -38.215 -57.740 -22.819 1.00 2.04 C ATOM 559 O LYS A 33 -39.004 -57.659 -23.806 1.00 1.52 O ATOM 560 CB LYS A 33 -37.515 -59.955 -22.107 1.00 2.67 C ATOM 561 CG LYS A 33 -36.370 -60.868 -21.656 1.00 2.46 C ATOM 562 CD LYS A 33 -36.909 -62.214 -20.903 1.00 2.44 C ATOM 563 CE LYS A 33 -35.778 -63.244 -20.672 1.00 2.80 C ATOM 564 NZ LYS A 33 -36.280 -64.414 -19.960 1.00 2.13 N1+ ATOM 0 H LYS A 33 -35.779 -58.395 -21.151 1.00 2.23 H new ATOM 0 HA LYS A 33 -36.616 -58.813 -23.772 1.00 2.86 H new ATOM 0 HB2 LYS A 33 -38.138 -59.707 -21.247 1.00 2.67 H new ATOM 0 HB3 LYS A 33 -38.147 -60.493 -22.814 1.00 2.67 H new ATOM 0 HG2 LYS A 33 -35.773 -61.153 -22.522 1.00 2.46 H new ATOM 0 HG3 LYS A 33 -35.712 -60.317 -20.984 1.00 2.46 H new ATOM 0 HD2 LYS A 33 -37.351 -61.941 -19.945 1.00 2.44 H new ATOM 0 HD3 LYS A 33 -37.699 -62.671 -21.499 1.00 2.44 H new ATOM 0 HE2 LYS A 33 -35.356 -63.549 -21.630 1.00 2.80 H new ATOM 0 HE3 LYS A 33 -34.972 -62.784 -20.101 1.00 2.80 H new ATOM 0 HZ1 LYS A 33 -35.505 -65.092 -19.816 1.00 2.13 H new ATOM 0 HZ2 LYS A 33 -36.661 -64.122 -19.037 1.00 2.13 H new ATOM 0 HZ3 LYS A 33 -37.033 -64.864 -20.519 1.00 2.13 H new ATOM 578 N LYS A 34 -38.508 -57.079 -21.703 1.00 2.23 N ATOM 579 CA LYS A 34 -39.706 -56.268 -21.565 1.00 2.86 C ATOM 580 C LYS A 34 -39.351 -54.813 -21.801 1.00 2.04 C ATOM 581 O LYS A 34 -38.734 -54.065 -21.021 1.00 1.52 O ATOM 582 CB LYS A 34 -40.219 -56.405 -20.109 1.00 2.67 C ATOM 583 CG LYS A 34 -40.595 -57.852 -19.616 1.00 2.46 C ATOM 584 CD LYS A 34 -41.521 -58.565 -20.554 1.00 2.44 C ATOM 585 CE LYS A 34 -42.108 -59.874 -19.934 1.00 2.80 C ATOM 586 NZ LYS A 34 -42.854 -60.654 -20.895 1.00 2.13 N1+ ATOM 0 H LYS A 34 -37.919 -57.093 -20.870 1.00 2.23 H new ATOM 0 HA LYS A 34 -40.461 -56.593 -22.280 1.00 2.86 H new ATOM 0 HB2 LYS A 34 -39.454 -56.008 -19.442 1.00 2.67 H new ATOM 0 HB3 LYS A 34 -41.098 -55.771 -19.999 1.00 2.67 H new ATOM 0 HG2 LYS A 34 -39.684 -58.438 -19.497 1.00 2.46 H new ATOM 0 HG3 LYS A 34 -41.062 -57.786 -18.633 1.00 2.46 H new ATOM 0 HD2 LYS A 34 -42.338 -57.899 -20.829 1.00 2.44 H new ATOM 0 HD3 LYS A 34 -40.986 -58.809 -21.472 1.00 2.44 H new ATOM 0 HE2 LYS A 34 -41.295 -60.479 -19.533 1.00 2.80 H new ATOM 0 HE3 LYS A 34 -42.757 -59.617 -19.097 1.00 2.80 H new ATOM 0 HZ1 LYS A 34 -43.222 -61.511 -20.435 1.00 2.13 H new ATOM 0 HZ2 LYS A 34 -43.647 -60.089 -21.260 1.00 2.13 H new ATOM 0 HZ3 LYS A 34 -42.230 -60.924 -21.682 1.00 2.13 H new HETATM 600 N NH2 A 35 -39.652 -54.326 -23.093 1.00 2.23 N TER 603 NH2 A 35