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+ -126:sc= 0.0316 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -169:sc= -0.0208 (180deg=-0.219) USER MOD Single : A 6 CYS SG : rot 180:sc= -0.0282 USER MOD Single : A 9 CYS SG : rot 74:sc= 0.214 USER MOD Single : A 10 SER OG : rot 73:sc= 1.23 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 79:sc= 1.22 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.75) 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= 0.698 K(o=0.7,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -173:sc= 0.65 (180deg=0.589) 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 -34.001 -61.568 25.552 1.00 2.23 N ATOM 2 CA LYS A 1 -33.052 -60.485 26.055 1.00 2.86 C ATOM 3 C LYS A 1 -32.244 -59.709 24.908 1.00 2.04 C ATOM 4 O LYS A 1 -32.584 -59.923 23.751 1.00 1.52 O ATOM 5 CB LYS A 1 -32.115 -61.017 27.235 1.00 2.67 C ATOM 6 CG LYS A 1 -31.005 -62.026 26.868 1.00 2.46 C ATOM 7 CD LYS A 1 -30.272 -62.565 28.095 1.00 2.44 C ATOM 8 CE LYS A 1 -29.246 -61.695 28.773 1.00 2.80 C ATOM 9 NZ LYS A 1 -28.285 -62.585 29.476 1.00 2.13 N1+ ATOM 0 H1 LYS A 1 -34.954 -61.397 25.931 1.00 2.23 H new ATOM 0 H2 LYS A 1 -34.032 -61.547 24.513 1.00 2.23 H new ATOM 0 H3 LYS A 1 -33.664 -62.499 25.869 1.00 2.23 H new ATOM 0 HA LYS A 1 -33.697 -59.715 26.478 1.00 2.86 H new ATOM 0 HB2 LYS A 1 -31.642 -60.154 27.704 1.00 2.67 H new ATOM 0 HB3 LYS A 1 -32.753 -61.479 27.988 1.00 2.67 H new ATOM 0 HG2 LYS A 1 -31.443 -62.858 26.317 1.00 2.46 H new ATOM 0 HG3 LYS A 1 -30.288 -61.545 26.203 1.00 2.46 H new ATOM 0 HD2 LYS A 1 -31.024 -62.827 28.839 1.00 2.44 H new ATOM 0 HD3 LYS A 1 -29.777 -63.491 27.802 1.00 2.44 H new ATOM 0 HE2 LYS A 1 -28.727 -61.076 28.041 1.00 2.80 H new ATOM 0 HE3 LYS A 1 -29.727 -61.018 29.480 1.00 2.80 H new ATOM 0 HZ1 LYS A 1 -27.564 -62.008 29.954 1.00 2.13 H new ATOM 0 HZ2 LYS A 1 -28.793 -63.157 30.180 1.00 2.13 H new ATOM 0 HZ3 LYS A 1 -27.825 -63.213 28.786 1.00 2.13 H new ATOM 25 N LYS A 2 -31.230 -58.838 25.251 1.00 2.23 N ATOM 26 CA LYS A 2 -30.445 -58.061 24.291 1.00 2.86 C ATOM 27 C LYS A 2 -28.979 -58.507 24.097 1.00 2.04 C ATOM 28 O LYS A 2 -28.220 -57.862 23.402 1.00 1.52 O ATOM 29 CB LYS A 2 -30.391 -56.577 24.829 1.00 2.67 C ATOM 30 CG LYS A 2 -31.841 -56.107 25.032 1.00 2.46 C ATOM 31 CD LYS A 2 -32.010 -54.605 25.103 1.00 2.44 C ATOM 32 CE LYS A 2 -31.254 -53.940 23.951 1.00 2.80 C ATOM 33 NZ LYS A 2 -31.503 -52.485 24.067 1.00 2.13 N1+ ATOM 0 H LYS A 2 -30.953 -58.674 26.219 1.00 2.23 H new ATOM 0 HA LYS A 2 -30.939 -58.193 23.328 1.00 2.86 H new ATOM 0 HB2 LYS A 2 -29.837 -56.529 25.767 1.00 2.67 H new ATOM 0 HB3 LYS A 2 -29.874 -55.930 24.120 1.00 2.67 H new ATOM 0 HG2 LYS A 2 -32.452 -56.490 24.214 1.00 2.46 H new ATOM 0 HG3 LYS A 2 -32.227 -56.547 25.952 1.00 2.46 H new ATOM 0 HD2 LYS A 2 -33.068 -54.347 25.052 1.00 2.44 H new ATOM 0 HD3 LYS A 2 -31.636 -54.233 26.057 1.00 2.44 H new ATOM 0 HE2 LYS A 2 -30.187 -54.157 24.011 1.00 2.80 H new ATOM 0 HE3 LYS A 2 -31.602 -54.317 22.990 1.00 2.80 H new ATOM 0 HZ1 LYS A 2 -31.007 -51.986 23.301 1.00 2.13 H new ATOM 0 HZ2 LYS A 2 -32.524 -52.301 23.996 1.00 2.13 H new ATOM 0 HZ3 LYS A 2 -31.153 -52.145 24.985 1.00 2.13 H new ATOM 47 N LYS A 3 -28.660 -59.667 24.613 1.00 2.23 N ATOM 48 CA LYS A 3 -27.461 -60.319 24.310 1.00 2.86 C ATOM 49 C LYS A 3 -27.802 -61.758 23.950 1.00 2.04 C ATOM 50 O LYS A 3 -28.914 -62.236 24.217 1.00 1.52 O ATOM 51 CB LYS A 3 -26.531 -60.363 25.675 1.00 2.67 C ATOM 52 CG LYS A 3 -25.978 -59.017 25.970 1.00 2.46 C ATOM 53 CD LYS A 3 -25.054 -59.003 27.210 1.00 2.44 C ATOM 54 CE LYS A 3 -24.519 -57.646 27.610 1.00 2.80 C ATOM 55 NZ LYS A 3 -23.998 -56.931 26.392 1.00 2.13 N1+ ATOM 0 H LYS A 3 -29.255 -60.176 25.267 1.00 2.23 H new ATOM 0 HA LYS A 3 -26.939 -59.811 23.499 1.00 2.86 H new ATOM 0 HB2 LYS A 3 -27.128 -60.710 26.518 1.00 2.67 H new ATOM 0 HB3 LYS A 3 -25.717 -61.077 25.545 1.00 2.67 H new ATOM 0 HG2 LYS A 3 -25.420 -58.661 25.104 1.00 2.46 H new ATOM 0 HG3 LYS A 3 -26.800 -58.319 26.128 1.00 2.46 H new ATOM 0 HD2 LYS A 3 -25.602 -59.421 28.054 1.00 2.44 H new ATOM 0 HD3 LYS A 3 -24.209 -59.665 27.019 1.00 2.44 H new ATOM 0 HE2 LYS A 3 -25.306 -57.058 28.081 1.00 2.80 H new ATOM 0 HE3 LYS A 3 -23.723 -57.760 28.346 1.00 2.80 H new ATOM 0 HZ1 LYS A 3 -23.466 -56.087 26.686 1.00 2.13 H new ATOM 0 HZ2 LYS A 3 -23.372 -57.567 25.858 1.00 2.13 H new ATOM 0 HZ3 LYS A 3 -24.796 -56.645 25.790 1.00 2.13 H new ATOM 69 N GLY A 4 -26.907 -62.472 23.180 1.00 2.23 N ATOM 70 CA GLY A 4 -27.247 -63.814 22.667 1.00 2.38 C ATOM 71 C GLY A 4 -28.118 -63.791 21.405 1.00 2.04 C ATOM 72 O GLY A 4 -28.441 -64.782 20.778 1.00 1.52 O ATOM 0 H GLY A 4 -25.980 -62.138 22.918 1.00 2.23 H new ATOM 0 HA2 GLY A 4 -26.325 -64.355 22.451 1.00 2.38 H new ATOM 0 HA3 GLY A 4 -27.768 -64.370 23.447 1.00 2.38 H new ATOM 76 N ILE A 5 -28.495 -62.558 20.934 1.00 2.23 N ATOM 77 CA ILE A 5 -29.465 -62.361 19.835 1.00 2.86 C ATOM 78 C ILE A 5 -28.752 -61.933 18.511 1.00 2.04 C ATOM 79 O ILE A 5 -29.360 -61.775 17.459 1.00 1.52 O ATOM 80 CB ILE A 5 -30.590 -61.405 20.153 1.00 2.67 C ATOM 81 CG1 ILE A 5 -30.036 -60.062 20.584 1.00 2.46 C ATOM 82 CG2 ILE A 5 -31.526 -61.920 21.296 1.00 2.46 C ATOM 83 CD1 ILE A 5 -31.045 -58.973 20.570 1.00 2.44 C ATOM 0 H ILE A 5 -28.129 -61.685 21.313 1.00 2.23 H new ATOM 0 HA ILE A 5 -29.929 -63.338 19.700 1.00 2.86 H new ATOM 0 HB ILE A 5 -31.174 -61.318 19.236 1.00 2.67 H new ATOM 0 HG12 ILE A 5 -29.625 -60.153 21.590 1.00 2.46 H new ATOM 0 HG13 ILE A 5 -29.211 -59.790 19.926 1.00 2.46 H new ATOM 0 HG21 ILE A 5 -32.314 -61.189 21.478 1.00 2.46 H new ATOM 0 HG22 ILE A 5 -31.973 -62.869 21.001 1.00 2.46 H new ATOM 0 HG23 ILE A 5 -30.944 -62.061 22.207 1.00 2.46 H new ATOM 0 HD11 ILE A 5 -30.579 -58.041 20.890 1.00 2.44 H new ATOM 0 HD12 ILE A 5 -31.438 -58.855 19.560 1.00 2.44 H new ATOM 0 HD13 ILE A 5 -31.860 -59.223 21.250 1.00 2.44 H new ATOM 95 N CYS A 6 -27.423 -61.660 18.445 1.00 2.23 N ATOM 96 CA CYS A 6 -26.734 -61.165 17.293 1.00 2.86 C ATOM 97 C CYS A 6 -26.592 -62.097 16.137 1.00 2.04 C ATOM 98 O CYS A 6 -26.608 -61.746 14.988 1.00 1.52 O ATOM 99 CB CYS A 6 -25.416 -60.570 17.765 1.00 2.67 C ATOM 100 SG CYS A 6 -24.276 -61.917 18.354 1.00 2.00 S ATOM 0 H CYS A 6 -26.804 -61.795 19.244 1.00 2.23 H new ATOM 0 HA CYS A 6 -27.367 -60.400 16.844 1.00 2.86 H new ATOM 0 HB2 CYS A 6 -24.947 -60.016 16.952 1.00 2.67 H new ATOM 0 HB3 CYS A 6 -25.598 -59.859 18.571 1.00 2.67 H new ATOM 0 HG CYS A 6 -23.154 -61.393 18.751 1.00 2.00 H new ATOM 106 N PHE A 7 -26.426 -63.426 16.393 1.00 2.23 N ATOM 107 CA PHE A 7 -26.433 -64.418 15.311 1.00 2.86 C ATOM 108 C PHE A 7 -27.835 -64.549 14.700 1.00 2.04 C ATOM 109 O PHE A 7 -28.076 -64.730 13.500 1.00 1.52 O ATOM 110 CB PHE A 7 -25.905 -65.744 15.897 1.00 2.67 C ATOM 111 CG PHE A 7 -24.532 -65.709 16.604 1.00 2.46 C ATOM 112 CD1 PHE A 7 -23.334 -65.697 15.940 1.00 2.00 C ATOM 113 CD2 PHE A 7 -24.479 -65.805 18.006 1.00 2.00 C ATOM 114 CE1 PHE A 7 -22.108 -65.794 16.607 1.00 2.00 C ATOM 115 CE2 PHE A 7 -23.281 -65.831 18.675 1.00 2.00 C ATOM 116 CZ PHE A 7 -22.037 -65.762 18.021 1.00 2.00 C ATOM 0 H PHE A 7 -26.289 -63.816 17.325 1.00 2.23 H new ATOM 0 HA PHE A 7 -25.786 -64.111 14.490 1.00 2.86 H new ATOM 0 HB2 PHE A 7 -26.642 -66.115 16.609 1.00 2.67 H new ATOM 0 HB3 PHE A 7 -25.849 -66.472 15.088 1.00 2.67 H new ATOM 0 HD1 PHE A 7 -23.336 -65.610 14.864 1.00 2.00 H new ATOM 0 HD2 PHE A 7 -25.400 -65.859 18.568 1.00 2.00 H new ATOM 0 HE1 PHE A 7 -21.199 -65.895 16.033 1.00 2.00 H new ATOM 0 HE2 PHE A 7 -23.294 -65.908 19.752 1.00 2.00 H new ATOM 0 HZ PHE A 7 -21.101 -65.690 18.556 1.00 2.00 H new ATOM 126 N PHE A 8 -28.871 -64.528 15.569 1.00 2.23 N ATOM 127 CA PHE A 8 -30.212 -64.647 15.079 1.00 2.86 C ATOM 128 C PHE A 8 -30.655 -63.372 14.276 1.00 2.04 C ATOM 129 O PHE A 8 -31.164 -63.614 13.194 1.00 1.52 O ATOM 130 CB PHE A 8 -31.224 -64.945 16.185 1.00 2.67 C ATOM 131 CG PHE A 8 -30.895 -66.202 16.923 1.00 2.46 C ATOM 132 CD1 PHE A 8 -30.787 -67.490 16.340 1.00 2.00 C ATOM 133 CD2 PHE A 8 -30.667 -66.034 18.355 1.00 2.00 C ATOM 134 CE1 PHE A 8 -30.647 -68.569 17.166 1.00 2.00 C ATOM 135 CE2 PHE A 8 -30.535 -67.196 19.070 1.00 2.00 C ATOM 136 CZ PHE A 8 -30.450 -68.425 18.555 1.00 2.00 C ATOM 0 H PHE A 8 -28.783 -64.432 16.581 1.00 2.23 H new ATOM 0 HA PHE A 8 -30.202 -65.501 14.402 1.00 2.86 H new ATOM 0 HB2 PHE A 8 -31.251 -64.110 16.885 1.00 2.67 H new ATOM 0 HB3 PHE A 8 -32.220 -65.030 15.751 1.00 2.67 H new ATOM 0 HD1 PHE A 8 -30.815 -67.615 15.268 1.00 2.00 H new ATOM 0 HD2 PHE A 8 -30.606 -65.061 18.819 1.00 2.00 H new ATOM 0 HE1 PHE A 8 -30.688 -69.562 16.743 1.00 2.00 H new ATOM 0 HE2 PHE A 8 -30.496 -67.110 20.146 1.00 2.00 H new ATOM 0 HZ PHE A 8 -30.238 -69.279 19.181 1.00 2.00 H new ATOM 146 N CYS A 9 -30.341 -62.152 14.736 1.00 2.23 N ATOM 147 CA CYS A 9 -30.622 -60.937 14.028 1.00 2.86 C ATOM 148 C CYS A 9 -29.884 -60.854 12.702 1.00 2.04 C ATOM 149 O CYS A 9 -30.447 -60.566 11.642 1.00 1.52 O ATOM 150 CB CYS A 9 -30.240 -59.600 14.773 1.00 2.67 C ATOM 151 SG CYS A 9 -31.226 -59.388 16.264 1.00 2.00 S ATOM 0 H CYS A 9 -29.875 -62.001 15.631 1.00 2.23 H new ATOM 0 HA CYS A 9 -31.705 -61.001 13.918 1.00 2.86 H new ATOM 0 HB2 CYS A 9 -29.181 -59.613 15.032 1.00 2.67 H new ATOM 0 HB3 CYS A 9 -30.395 -58.751 14.107 1.00 2.67 H new ATOM 0 HG CYS A 9 -30.811 -60.212 17.180 1.00 2.00 H new ATOM 157 N SER A 10 -28.608 -61.234 12.722 1.00 2.23 N ATOM 158 CA SER A 10 -27.746 -61.393 11.540 1.00 2.86 C ATOM 159 C SER A 10 -28.243 -62.381 10.513 1.00 2.04 C ATOM 160 O SER A 10 -28.386 -62.059 9.318 1.00 1.52 O ATOM 161 CB SER A 10 -26.353 -61.780 11.958 1.00 2.67 C ATOM 162 OG SER A 10 -25.790 -60.732 12.711 1.00 1.64 O ATOM 0 H SER A 10 -28.122 -61.449 13.593 1.00 2.23 H new ATOM 0 HA SER A 10 -27.759 -60.417 11.054 1.00 2.86 H new ATOM 0 HB2 SER A 10 -26.378 -62.696 12.549 1.00 2.67 H new ATOM 0 HB3 SER A 10 -25.740 -61.984 11.080 1.00 2.67 H new ATOM 0 HG SER A 10 -26.208 -60.704 13.597 1.00 1.64 H new ATOM 168 N TYR A 11 -28.687 -63.567 10.989 1.00 2.23 N ATOM 169 CA TYR A 11 -29.427 -64.514 10.090 1.00 2.86 C ATOM 170 C TYR A 11 -30.662 -63.984 9.482 1.00 2.04 C ATOM 171 O TYR A 11 -30.987 -64.254 8.313 1.00 1.52 O ATOM 172 CB TYR A 11 -29.696 -65.866 10.834 1.00 2.67 C ATOM 173 CG TYR A 11 -30.047 -67.010 9.898 1.00 2.46 C ATOM 174 CD1 TYR A 11 -31.339 -67.409 9.806 1.00 2.00 C ATOM 175 CD2 TYR A 11 -29.046 -67.638 9.208 1.00 2.00 C ATOM 176 CE1 TYR A 11 -31.697 -68.363 8.834 1.00 2.00 C ATOM 177 CE2 TYR A 11 -29.361 -68.525 8.203 1.00 2.00 C ATOM 178 CZ TYR A 11 -30.666 -69.030 8.120 1.00 2.00 C ATOM 179 OH TYR A 11 -30.865 -70.019 7.094 1.00 1.85 O ATOM 0 H TYR A 11 -28.559 -63.892 11.947 1.00 2.23 H new ATOM 0 HA TYR A 11 -28.764 -64.677 9.240 1.00 2.86 H new ATOM 0 HB2 TYR A 11 -28.812 -66.137 11.411 1.00 2.67 H new ATOM 0 HB3 TYR A 11 -30.510 -65.725 11.545 1.00 2.67 H new ATOM 0 HD1 TYR A 11 -32.086 -67.000 10.471 1.00 2.00 H new ATOM 0 HD2 TYR A 11 -28.013 -67.439 9.451 1.00 2.00 H new ATOM 0 HE1 TYR A 11 -32.735 -68.583 8.635 1.00 2.00 H new ATOM 0 HE2 TYR A 11 -28.611 -68.828 7.487 1.00 2.00 H new ATOM 0 HH TYR A 11 -29.995 -70.323 6.759 1.00 1.85 H new ATOM 189 N ILE A 12 -31.403 -63.190 10.162 1.00 2.23 N ATOM 190 CA ILE A 12 -32.552 -62.572 9.468 1.00 2.86 C ATOM 191 C ILE A 12 -32.183 -61.483 8.406 1.00 2.04 C ATOM 192 O ILE A 12 -32.909 -61.368 7.365 1.00 1.52 O ATOM 193 CB ILE A 12 -33.480 -61.967 10.461 1.00 2.67 C ATOM 194 CG1 ILE A 12 -33.946 -63.119 11.441 1.00 2.46 C ATOM 195 CG2 ILE A 12 -34.778 -61.265 10.010 1.00 2.46 C ATOM 196 CD1 ILE A 12 -34.169 -62.698 12.853 1.00 2.44 C ATOM 0 H ILE A 12 -31.277 -62.941 11.143 1.00 2.23 H new ATOM 0 HA ILE A 12 -33.018 -63.391 8.919 1.00 2.86 H new ATOM 0 HB ILE A 12 -32.871 -61.159 10.866 1.00 2.67 H new ATOM 0 HG12 ILE A 12 -34.871 -63.550 11.057 1.00 2.46 H new ATOM 0 HG13 ILE A 12 -33.197 -63.910 11.428 1.00 2.46 H new ATOM 0 HG21 ILE A 12 -35.313 -60.893 10.884 1.00 2.46 H new ATOM 0 HG22 ILE A 12 -34.531 -60.431 9.353 1.00 2.46 H new ATOM 0 HG23 ILE A 12 -35.408 -61.975 9.474 1.00 2.46 H new ATOM 0 HD11 ILE A 12 -34.486 -63.558 13.443 1.00 2.44 H new ATOM 0 HD12 ILE A 12 -33.242 -62.297 13.264 1.00 2.44 H new ATOM 0 HD13 ILE A 12 -34.942 -61.931 12.886 1.00 2.44 H new ATOM 208 N ILE A 13 -31.113 -60.686 8.519 1.00 2.23 N ATOM 209 CA ILE A 13 -30.644 -59.785 7.460 1.00 2.86 C ATOM 210 C ILE A 13 -30.144 -60.601 6.251 1.00 2.04 C ATOM 211 O ILE A 13 -30.459 -60.260 5.134 1.00 1.52 O ATOM 212 CB ILE A 13 -29.684 -58.719 7.820 1.00 2.67 C ATOM 213 CG1 ILE A 13 -30.091 -57.992 9.180 1.00 2.46 C ATOM 214 CG2 ILE A 13 -29.465 -57.760 6.596 1.00 2.46 C ATOM 215 CD1 ILE A 13 -29.002 -57.112 9.770 1.00 2.44 C ATOM 0 H ILE A 13 -30.540 -60.649 9.362 1.00 2.23 H new ATOM 0 HA ILE A 13 -31.536 -59.209 7.213 1.00 2.86 H new ATOM 0 HB ILE A 13 -28.711 -59.159 8.037 1.00 2.67 H new ATOM 0 HG12 ILE A 13 -30.977 -57.383 9.001 1.00 2.46 H new ATOM 0 HG13 ILE A 13 -30.367 -58.749 9.914 1.00 2.46 H new ATOM 0 HG21 ILE A 13 -28.757 -56.978 6.869 1.00 2.46 H new ATOM 0 HG22 ILE A 13 -29.071 -58.329 5.754 1.00 2.46 H new ATOM 0 HG23 ILE A 13 -30.415 -57.307 6.314 1.00 2.46 H new ATOM 0 HD11 ILE A 13 -29.362 -56.656 10.692 1.00 2.44 H new ATOM 0 HD12 ILE A 13 -28.121 -57.717 9.984 1.00 2.44 H new ATOM 0 HD13 ILE A 13 -28.740 -56.330 9.057 1.00 2.44 H new ATOM 227 N ILE A 14 -29.311 -61.695 6.434 1.00 2.23 N ATOM 228 CA ILE A 14 -28.687 -62.583 5.518 1.00 2.86 C ATOM 229 C ILE A 14 -29.786 -63.319 4.666 1.00 2.04 C ATOM 230 O ILE A 14 -29.781 -63.335 3.440 1.00 1.52 O ATOM 231 CB ILE A 14 -27.773 -63.708 6.135 1.00 2.67 C ATOM 232 CG1 ILE A 14 -26.530 -63.074 6.851 1.00 2.46 C ATOM 233 CG2 ILE A 14 -27.343 -64.655 5.005 1.00 2.46 C ATOM 234 CD1 ILE A 14 -25.605 -62.124 5.981 1.00 2.44 C ATOM 0 H ILE A 14 -29.063 -61.963 7.386 1.00 2.23 H new ATOM 0 HA ILE A 14 -28.034 -61.931 4.938 1.00 2.86 H new ATOM 0 HB ILE A 14 -28.325 -64.271 6.888 1.00 2.67 H new ATOM 0 HG12 ILE A 14 -26.887 -62.505 7.710 1.00 2.46 H new ATOM 0 HG13 ILE A 14 -25.913 -63.884 7.240 1.00 2.46 H new ATOM 0 HG21 ILE A 14 -26.708 -65.442 5.412 1.00 2.46 H new ATOM 0 HG22 ILE A 14 -28.226 -65.101 4.548 1.00 2.46 H new ATOM 0 HG23 ILE A 14 -26.788 -64.095 4.252 1.00 2.46 H new ATOM 0 HD11 ILE A 14 -24.784 -61.753 6.595 1.00 2.44 H new ATOM 0 HD12 ILE A 14 -25.203 -62.682 5.136 1.00 2.44 H new ATOM 0 HD13 ILE A 14 -26.192 -61.282 5.613 1.00 2.44 H new ATOM 246 N SER A 15 -30.798 -63.885 5.382 1.00 2.23 N ATOM 247 CA SER A 15 -31.937 -64.579 4.824 1.00 2.86 C ATOM 248 C SER A 15 -32.853 -63.717 3.944 1.00 2.04 C ATOM 249 O SER A 15 -33.279 -64.060 2.885 1.00 1.52 O ATOM 250 CB SER A 15 -32.847 -65.116 5.996 1.00 2.67 C ATOM 251 OG SER A 15 -32.078 -66.035 6.709 1.00 1.64 O ATOM 0 H SER A 15 -30.820 -63.855 6.401 1.00 2.23 H new ATOM 0 HA SER A 15 -31.506 -65.364 4.203 1.00 2.86 H new ATOM 0 HB2 SER A 15 -33.171 -64.299 6.641 1.00 2.67 H new ATOM 0 HB3 SER A 15 -33.748 -65.587 5.602 1.00 2.67 H new ATOM 0 HG SER A 15 -31.467 -65.556 7.307 1.00 1.64 H new ATOM 257 N PHE A 16 -33.016 -62.392 4.367 1.00 2.23 N ATOM 258 CA PHE A 16 -33.615 -61.375 3.530 1.00 2.86 C ATOM 259 C PHE A 16 -32.859 -61.021 2.281 1.00 2.04 C ATOM 260 O PHE A 16 -33.443 -60.934 1.226 1.00 1.52 O ATOM 261 CB PHE A 16 -34.066 -60.050 4.285 1.00 2.67 C ATOM 262 CG PHE A 16 -35.396 -60.158 5.039 1.00 2.46 C ATOM 263 CD1 PHE A 16 -36.474 -60.449 4.198 1.00 2.00 C ATOM 264 CD2 PHE A 16 -35.649 -59.996 6.455 1.00 2.00 C ATOM 265 CE1 PHE A 16 -37.746 -60.576 4.741 1.00 2.00 C ATOM 266 CE2 PHE A 16 -36.843 -60.329 7.024 1.00 2.00 C ATOM 267 CZ PHE A 16 -37.997 -60.495 6.158 1.00 2.00 C ATOM 0 H PHE A 16 -32.727 -62.055 5.285 1.00 2.23 H new ATOM 0 HA PHE A 16 -34.518 -61.897 3.214 1.00 2.86 H new ATOM 0 HB2 PHE A 16 -33.286 -59.769 4.992 1.00 2.67 H new ATOM 0 HB3 PHE A 16 -34.142 -59.242 3.557 1.00 2.67 H new ATOM 0 HD1 PHE A 16 -36.319 -60.574 3.136 1.00 2.00 H new ATOM 0 HD2 PHE A 16 -34.865 -59.598 7.082 1.00 2.00 H new ATOM 0 HE1 PHE A 16 -38.580 -60.742 4.075 1.00 2.00 H new ATOM 0 HE2 PHE A 16 -36.928 -60.466 8.092 1.00 2.00 H new ATOM 0 HZ PHE A 16 -38.998 -60.555 6.558 1.00 2.00 H new ATOM 277 N LEU A 17 -31.562 -60.876 2.445 1.00 2.23 N ATOM 278 CA LEU A 17 -30.498 -60.521 1.531 1.00 2.86 C ATOM 279 C LEU A 17 -30.289 -61.558 0.405 1.00 2.04 C ATOM 280 O LEU A 17 -30.279 -61.138 -0.755 1.00 1.52 O ATOM 281 CB LEU A 17 -29.185 -60.122 2.272 1.00 2.67 C ATOM 282 CG LEU A 17 -27.993 -59.721 1.451 1.00 2.46 C ATOM 283 CD1 LEU A 17 -28.317 -58.338 0.896 1.00 2.44 C ATOM 284 CD2 LEU A 17 -26.602 -59.710 2.163 1.00 2.44 C ATOM 0 H LEU A 17 -31.170 -61.030 3.374 1.00 2.23 H new ATOM 0 HA LEU A 17 -30.828 -59.619 1.015 1.00 2.86 H new ATOM 0 HB2 LEU A 17 -29.420 -59.294 2.941 1.00 2.67 H new ATOM 0 HB3 LEU A 17 -28.889 -60.964 2.898 1.00 2.67 H new ATOM 0 HG LEU A 17 -27.855 -60.491 0.692 1.00 2.46 H new ATOM 0 HD11 LEU A 17 -27.485 -57.987 0.286 1.00 2.44 H new ATOM 0 HD12 LEU A 17 -29.218 -58.393 0.284 1.00 2.44 H new ATOM 0 HD13 LEU A 17 -28.480 -57.644 1.721 1.00 2.44 H new ATOM 0 HD21 LEU A 17 -25.833 -59.402 1.454 1.00 2.44 H new ATOM 0 HD22 LEU A 17 -26.626 -59.010 2.998 1.00 2.44 H new ATOM 0 HD23 LEU A 17 -26.375 -60.710 2.533 1.00 2.44 H new ATOM 296 N ILE A 18 -30.191 -62.859 0.590 1.00 2.23 N ATOM 297 CA ILE A 18 -30.100 -63.808 -0.522 1.00 2.86 C ATOM 298 C ILE A 18 -31.239 -63.722 -1.533 1.00 2.04 C ATOM 299 O ILE A 18 -30.955 -63.819 -2.726 1.00 1.52 O ATOM 300 CB ILE A 18 -30.064 -65.245 -0.057 1.00 2.67 C ATOM 301 CG1 ILE A 18 -31.131 -65.616 1.017 1.00 2.46 C ATOM 302 CG2 ILE A 18 -28.678 -65.566 0.424 1.00 2.46 C ATOM 303 CD1 ILE A 18 -31.236 -67.118 1.265 1.00 2.44 C ATOM 0 H ILE A 18 -30.171 -63.297 1.511 1.00 2.23 H new ATOM 0 HA ILE A 18 -29.167 -63.514 -1.003 1.00 2.86 H new ATOM 0 HB ILE A 18 -30.327 -65.858 -0.919 1.00 2.67 H new ATOM 0 HG12 ILE A 18 -30.884 -65.116 1.953 1.00 2.46 H new ATOM 0 HG13 ILE A 18 -32.103 -65.238 0.700 1.00 2.46 H new ATOM 0 HG21 ILE A 18 -28.641 -66.602 0.762 1.00 2.46 H new ATOM 0 HG22 ILE A 18 -27.968 -65.425 -0.391 1.00 2.46 H new ATOM 0 HG23 ILE A 18 -28.417 -64.905 1.251 1.00 2.46 H new ATOM 0 HD11 ILE A 18 -31.996 -67.309 2.023 1.00 2.44 H new ATOM 0 HD12 ILE A 18 -31.513 -67.621 0.339 1.00 2.44 H new ATOM 0 HD13 ILE A 18 -30.275 -67.498 1.611 1.00 2.44 H new ATOM 315 N VAL A 19 -32.510 -63.539 -1.107 1.00 2.23 N ATOM 316 CA VAL A 19 -33.654 -63.394 -2.037 1.00 2.86 C ATOM 317 C VAL A 19 -33.541 -62.067 -2.773 1.00 2.04 C ATOM 318 O VAL A 19 -33.589 -61.915 -4.024 1.00 1.52 O ATOM 319 CB VAL A 19 -34.928 -63.391 -1.280 1.00 2.67 C ATOM 320 CG1 VAL A 19 -36.126 -63.357 -2.267 1.00 2.46 C ATOM 321 CG2 VAL A 19 -35.150 -64.599 -0.253 1.00 2.46 C ATOM 0 H VAL A 19 -32.770 -63.488 -0.122 1.00 2.23 H new ATOM 0 HA VAL A 19 -33.640 -64.227 -2.740 1.00 2.86 H new ATOM 0 HB VAL A 19 -34.866 -62.494 -0.663 1.00 2.67 H new ATOM 0 HG11 VAL A 19 -37.060 -63.355 -1.705 1.00 2.46 H new ATOM 0 HG12 VAL A 19 -36.068 -62.457 -2.878 1.00 2.46 H new ATOM 0 HG13 VAL A 19 -36.092 -64.236 -2.911 1.00 2.46 H new ATOM 0 HG21 VAL A 19 -36.116 -64.486 0.239 1.00 2.46 H new ATOM 0 HG22 VAL A 19 -35.127 -65.545 -0.794 1.00 2.46 H new ATOM 0 HG23 VAL A 19 -34.358 -64.590 0.496 1.00 2.46 H new ATOM 331 N VAL A 20 -33.240 -60.973 -2.054 1.00 2.23 N ATOM 332 CA VAL A 20 -33.124 -59.630 -2.559 1.00 2.86 C ATOM 333 C VAL A 20 -32.023 -59.520 -3.610 1.00 2.04 C ATOM 334 O VAL A 20 -32.203 -58.775 -4.614 1.00 1.52 O ATOM 335 CB VAL A 20 -32.858 -58.520 -1.489 1.00 2.67 C ATOM 336 CG1 VAL A 20 -32.270 -57.187 -1.964 1.00 2.46 C ATOM 337 CG2 VAL A 20 -34.228 -58.390 -0.810 1.00 2.46 C ATOM 0 H VAL A 20 -33.065 -61.025 -1.051 1.00 2.23 H new ATOM 0 HA VAL A 20 -34.112 -59.446 -2.981 1.00 2.86 H new ATOM 0 HB VAL A 20 -32.043 -58.814 -0.827 1.00 2.67 H new ATOM 0 HG11 VAL A 20 -32.143 -56.521 -1.111 1.00 2.46 H new ATOM 0 HG12 VAL A 20 -31.303 -57.363 -2.434 1.00 2.46 H new ATOM 0 HG13 VAL A 20 -32.946 -56.728 -2.685 1.00 2.46 H new ATOM 0 HG21 VAL A 20 -34.176 -57.632 -0.028 1.00 2.46 H new ATOM 0 HG22 VAL A 20 -34.974 -58.098 -1.549 1.00 2.46 H new ATOM 0 HG23 VAL A 20 -34.508 -59.347 -0.370 1.00 2.46 H new ATOM 347 N ASN A 21 -30.914 -60.149 -3.384 1.00 2.23 N ATOM 348 CA ASN A 21 -29.775 -60.117 -4.319 1.00 2.86 C ATOM 349 C ASN A 21 -30.066 -60.904 -5.530 1.00 2.04 C ATOM 350 O ASN A 21 -29.719 -60.597 -6.638 1.00 1.52 O ATOM 351 CB ASN A 21 -28.613 -60.745 -3.596 1.00 2.67 C ATOM 352 CG ASN A 21 -27.998 -59.740 -2.631 1.00 1.98 C ATOM 353 OD1 ASN A 21 -28.537 -58.639 -2.310 1.00 1.42 O ATOM 354 ND2 ASN A 21 -26.758 -60.050 -2.202 1.00 2.15 N ATOM 0 H ASN A 21 -30.747 -60.709 -2.548 1.00 2.23 H new ATOM 0 HA ASN A 21 -29.566 -59.093 -4.627 1.00 2.86 H new ATOM 0 HB2 ASN A 21 -28.947 -61.628 -3.051 1.00 2.67 H new ATOM 0 HB3 ASN A 21 -27.864 -61.078 -4.314 1.00 2.67 H new ATOM 0 HD21 ASN A 21 -26.244 -59.395 -1.613 1.00 2.15 H new ATOM 0 HD22 ASN A 21 -26.334 -60.939 -2.467 1.00 2.15 H new ATOM 361 N MET A 22 -30.717 -62.085 -5.397 1.00 2.23 N ATOM 362 CA MET A 22 -31.083 -62.935 -6.521 1.00 2.86 C ATOM 363 C MET A 22 -32.180 -62.418 -7.405 1.00 2.04 C ATOM 364 O MET A 22 -32.007 -62.437 -8.651 1.00 1.52 O ATOM 365 CB MET A 22 -31.391 -64.449 -6.041 1.00 2.67 C ATOM 366 CG MET A 22 -31.038 -65.442 -7.258 1.00 2.46 C ATOM 367 SD MET A 22 -31.417 -67.145 -6.700 1.00 2.00 S ATOM 368 CE MET A 22 -30.840 -67.812 -8.291 1.00 2.10 C ATOM 0 H MET A 22 -30.998 -62.464 -4.493 1.00 2.23 H new ATOM 0 HA MET A 22 -30.197 -62.925 -7.155 1.00 2.86 H new ATOM 0 HB2 MET A 22 -30.796 -64.698 -5.162 1.00 2.67 H new ATOM 0 HB3 MET A 22 -32.438 -64.553 -5.757 1.00 2.67 H new ATOM 0 HG2 MET A 22 -31.622 -65.189 -8.142 1.00 2.46 H new ATOM 0 HG3 MET A 22 -29.987 -65.353 -7.534 1.00 2.46 H new ATOM 0 HE1 MET A 22 -30.940 -68.897 -8.288 1.00 2.10 H new ATOM 0 HE2 MET A 22 -31.440 -67.394 -9.100 1.00 2.10 H new ATOM 0 HE3 MET A 22 -29.794 -67.544 -8.440 1.00 2.10 H new ATOM 378 N TYR A 23 -33.231 -61.779 -6.802 1.00 2.23 N ATOM 379 CA TYR A 23 -34.360 -61.090 -7.404 1.00 2.86 C ATOM 380 C TYR A 23 -33.832 -59.903 -8.222 1.00 2.04 C ATOM 381 O TYR A 23 -34.120 -59.756 -9.379 1.00 1.52 O ATOM 382 CB TYR A 23 -35.313 -60.748 -6.228 1.00 2.67 C ATOM 383 CG TYR A 23 -36.463 -59.895 -6.726 1.00 2.46 C ATOM 384 CD1 TYR A 23 -36.661 -58.576 -6.210 1.00 2.00 C ATOM 385 CD2 TYR A 23 -37.384 -60.288 -7.687 1.00 2.00 C ATOM 386 CE1 TYR A 23 -37.756 -57.781 -6.577 1.00 2.00 C ATOM 387 CE2 TYR A 23 -38.532 -59.614 -8.008 1.00 2.00 C ATOM 388 CZ TYR A 23 -38.741 -58.339 -7.457 1.00 2.00 C ATOM 389 OH TYR A 23 -39.872 -57.557 -7.873 1.00 1.85 O ATOM 0 H TYR A 23 -33.290 -61.745 -5.784 1.00 2.23 H new ATOM 0 HA TYR A 23 -34.931 -61.675 -8.125 1.00 2.86 H new ATOM 0 HB2 TYR A 23 -35.696 -61.665 -5.781 1.00 2.67 H new ATOM 0 HB3 TYR A 23 -34.766 -60.217 -5.448 1.00 2.67 H new ATOM 0 HD1 TYR A 23 -35.940 -58.177 -5.512 1.00 2.00 H new ATOM 0 HD2 TYR A 23 -37.178 -61.201 -8.226 1.00 2.00 H new ATOM 0 HE1 TYR A 23 -37.855 -56.772 -6.206 1.00 2.00 H new ATOM 0 HE2 TYR A 23 -39.262 -60.054 -8.671 1.00 2.00 H new ATOM 0 HH TYR A 23 -40.438 -58.091 -8.469 1.00 1.85 H new ATOM 399 N ILE A 24 -32.955 -59.053 -7.674 1.00 2.23 N ATOM 400 CA ILE A 24 -32.398 -57.967 -8.484 1.00 2.86 C ATOM 401 C ILE A 24 -31.600 -58.326 -9.705 1.00 2.04 C ATOM 402 O ILE A 24 -31.664 -57.578 -10.642 1.00 1.52 O ATOM 403 CB ILE A 24 -31.748 -56.846 -7.761 1.00 2.67 C ATOM 404 CG1 ILE A 24 -30.338 -57.070 -7.177 1.00 2.46 C ATOM 405 CG2 ILE A 24 -32.757 -56.379 -6.686 1.00 2.46 C ATOM 406 CD1 ILE A 24 -29.681 -55.773 -6.762 1.00 2.44 C ATOM 0 H ILE A 24 -32.626 -59.092 -6.709 1.00 2.23 H new ATOM 0 HA ILE A 24 -33.356 -57.601 -8.854 1.00 2.86 H new ATOM 0 HB ILE A 24 -31.524 -56.084 -8.507 1.00 2.67 H new ATOM 0 HG12 ILE A 24 -30.404 -57.734 -6.315 1.00 2.46 H new ATOM 0 HG13 ILE A 24 -29.715 -57.571 -7.918 1.00 2.46 H new ATOM 0 HG21 ILE A 24 -32.329 -55.551 -6.121 1.00 2.46 H new ATOM 0 HG22 ILE A 24 -33.677 -56.051 -7.169 1.00 2.46 H new ATOM 0 HG23 ILE A 24 -32.977 -57.205 -6.010 1.00 2.46 H new ATOM 0 HD11 ILE A 24 -28.691 -55.980 -6.357 1.00 2.44 H new ATOM 0 HD12 ILE A 24 -29.589 -55.118 -7.629 1.00 2.44 H new ATOM 0 HD13 ILE A 24 -30.289 -55.284 -6.001 1.00 2.44 H new ATOM 418 N ALA A 25 -31.109 -59.542 -9.749 1.00 2.23 N ATOM 419 CA ALA A 25 -30.450 -60.057 -10.889 1.00 2.86 C ATOM 420 C ALA A 25 -31.469 -60.575 -11.882 1.00 2.04 C ATOM 421 O ALA A 25 -31.263 -60.266 -13.071 1.00 1.52 O ATOM 422 CB ALA A 25 -29.515 -61.196 -10.578 1.00 2.67 C ATOM 0 H ALA A 25 -31.166 -60.200 -8.971 1.00 2.23 H new ATOM 0 HA ALA A 25 -29.866 -59.229 -11.291 1.00 2.86 H new ATOM 0 HB1 ALA A 25 -29.044 -61.542 -11.498 1.00 2.67 H new ATOM 0 HB2 ALA A 25 -28.747 -60.857 -9.883 1.00 2.67 H new ATOM 0 HB3 ALA A 25 -30.076 -62.015 -10.128 1.00 2.67 H new ATOM 428 N ILE A 26 -32.557 -61.260 -11.464 1.00 2.23 N ATOM 429 CA ILE A 26 -33.536 -61.897 -12.398 1.00 2.86 C ATOM 430 C ILE A 26 -34.485 -60.763 -12.929 1.00 2.04 C ATOM 431 O ILE A 26 -34.912 -60.823 -14.102 1.00 1.52 O ATOM 432 CB ILE A 26 -34.172 -63.082 -11.693 1.00 2.67 C ATOM 433 CG1 ILE A 26 -33.178 -64.226 -11.282 1.00 2.46 C ATOM 434 CG2 ILE A 26 -35.342 -63.674 -12.585 1.00 2.46 C ATOM 435 CD1 ILE A 26 -33.838 -65.315 -10.408 1.00 2.44 C ATOM 0 H ILE A 26 -32.788 -61.391 -10.479 1.00 2.23 H new ATOM 0 HA ILE A 26 -33.097 -62.335 -13.294 1.00 2.86 H new ATOM 0 HB ILE A 26 -34.558 -62.687 -10.753 1.00 2.67 H new ATOM 0 HG12 ILE A 26 -32.772 -64.687 -12.182 1.00 2.46 H new ATOM 0 HG13 ILE A 26 -32.338 -63.792 -10.739 1.00 2.46 H new ATOM 0 HG21 ILE A 26 -35.795 -64.524 -12.074 1.00 2.46 H new ATOM 0 HG22 ILE A 26 -36.097 -62.906 -12.751 1.00 2.46 H new ATOM 0 HG23 ILE A 26 -34.939 -64.000 -13.544 1.00 2.46 H new ATOM 0 HD11 ILE A 26 -33.100 -66.077 -10.157 1.00 2.44 H new ATOM 0 HD12 ILE A 26 -34.220 -64.864 -9.492 1.00 2.44 H new ATOM 0 HD13 ILE A 26 -34.660 -65.773 -10.957 1.00 2.44 H new ATOM 447 N ILE A 27 -34.885 -59.780 -12.151 1.00 2.23 N ATOM 448 CA ILE A 27 -35.924 -58.844 -12.549 1.00 2.86 C ATOM 449 C ILE A 27 -35.298 -57.662 -13.323 1.00 2.04 C ATOM 450 O ILE A 27 -35.927 -56.969 -14.089 1.00 1.52 O ATOM 451 CB ILE A 27 -36.603 -58.361 -11.265 1.00 2.67 C ATOM 452 CG1 ILE A 27 -38.022 -57.807 -11.501 1.00 2.46 C ATOM 453 CG2 ILE A 27 -35.754 -57.401 -10.459 1.00 2.46 C ATOM 454 CD1 ILE A 27 -38.995 -58.784 -12.199 1.00 2.44 C ATOM 0 H ILE A 27 -34.501 -59.604 -11.223 1.00 2.23 H new ATOM 0 HA ILE A 27 -36.653 -59.315 -13.209 1.00 2.86 H new ATOM 0 HB ILE A 27 -36.714 -59.259 -10.657 1.00 2.67 H new ATOM 0 HG12 ILE A 27 -38.448 -57.518 -10.540 1.00 2.46 H new ATOM 0 HG13 ILE A 27 -37.947 -56.901 -12.102 1.00 2.46 H new ATOM 0 HG21 ILE A 27 -36.297 -57.099 -9.563 1.00 2.46 H new ATOM 0 HG22 ILE A 27 -34.824 -57.891 -10.172 1.00 2.46 H new ATOM 0 HG23 ILE A 27 -35.530 -56.520 -11.061 1.00 2.46 H new ATOM 0 HD11 ILE A 27 -39.966 -58.305 -12.321 1.00 2.44 H new ATOM 0 HD12 ILE A 27 -38.599 -59.055 -13.177 1.00 2.44 H new ATOM 0 HD13 ILE A 27 -39.107 -59.682 -11.591 1.00 2.44 H new ATOM 466 N LEU A 28 -33.978 -57.457 -13.219 1.00 2.23 N ATOM 467 CA LEU A 28 -33.155 -56.632 -14.127 1.00 2.86 C ATOM 468 C LEU A 28 -33.062 -57.325 -15.427 1.00 2.04 C ATOM 469 O LEU A 28 -33.183 -56.625 -16.448 1.00 1.52 O ATOM 470 CB LEU A 28 -31.721 -56.472 -13.550 1.00 2.67 C ATOM 471 CG LEU A 28 -30.634 -55.798 -14.426 1.00 2.46 C ATOM 472 CD1 LEU A 28 -30.943 -54.379 -14.788 1.00 2.44 C ATOM 473 CD2 LEU A 28 -29.273 -55.930 -13.590 1.00 2.44 C ATOM 0 H LEU A 28 -33.427 -57.877 -12.470 1.00 2.23 H new ATOM 0 HA LEU A 28 -33.611 -55.648 -14.239 1.00 2.86 H new ATOM 0 HB2 LEU A 28 -31.799 -55.901 -12.625 1.00 2.67 H new ATOM 0 HB3 LEU A 28 -31.360 -57.465 -13.283 1.00 2.67 H new ATOM 0 HG LEU A 28 -30.567 -56.292 -15.395 1.00 2.46 H new ATOM 0 HD11 LEU A 28 -30.137 -53.976 -15.401 1.00 2.44 H new ATOM 0 HD12 LEU A 28 -31.878 -54.342 -15.348 1.00 2.44 H new ATOM 0 HD13 LEU A 28 -31.040 -53.785 -13.880 1.00 2.44 H new ATOM 0 HD21 LEU A 28 -28.457 -55.473 -14.150 1.00 2.44 H new ATOM 0 HD22 LEU A 28 -29.384 -55.423 -12.632 1.00 2.44 H new ATOM 0 HD23 LEU A 28 -29.051 -56.984 -13.420 1.00 2.44 H new ATOM 485 N GLU A 29 -32.855 -58.705 -15.528 1.00 2.23 N ATOM 486 CA GLU A 29 -32.762 -59.519 -16.704 1.00 2.86 C ATOM 487 C GLU A 29 -34.080 -59.517 -17.441 1.00 2.04 C ATOM 488 O GLU A 29 -34.140 -59.226 -18.625 1.00 1.52 O ATOM 489 CB GLU A 29 -32.186 -60.996 -16.452 1.00 2.67 C ATOM 490 CG GLU A 29 -32.075 -61.878 -17.647 1.00 2.77 C ATOM 491 CD GLU A 29 -31.165 -61.273 -18.705 1.00 1.98 C ATOM 492 OE1 GLU A 29 -31.613 -61.082 -19.869 1.00 1.40 O ATOM 493 OE2 GLU A 29 -30.014 -60.894 -18.397 1.00 1.40 O1- ATOM 0 H GLU A 29 -32.747 -59.270 -14.685 1.00 2.23 H new ATOM 0 HA GLU A 29 -32.007 -59.061 -17.343 1.00 2.86 H new ATOM 0 HB2 GLU A 29 -31.197 -60.905 -16.002 1.00 2.67 H new ATOM 0 HB3 GLU A 29 -32.825 -61.491 -15.720 1.00 2.67 H new ATOM 0 HG2 GLU A 29 -31.688 -62.852 -17.347 1.00 2.77 H new ATOM 0 HG3 GLU A 29 -33.065 -62.045 -18.070 1.00 2.77 H new ATOM 500 N ASN A 30 -35.227 -59.741 -16.764 1.00 2.23 N ATOM 501 CA ASN A 30 -36.475 -59.650 -17.388 1.00 2.86 C ATOM 502 C ASN A 30 -36.833 -58.241 -17.937 1.00 2.04 C ATOM 503 O ASN A 30 -37.412 -58.140 -19.020 1.00 1.52 O ATOM 504 CB ASN A 30 -37.723 -60.173 -16.651 1.00 2.67 C ATOM 505 CG ASN A 30 -37.765 -61.736 -16.535 1.00 1.98 C ATOM 506 OD1 ASN A 30 -38.356 -62.482 -17.260 1.00 1.42 O ATOM 507 ND2 ASN A 30 -36.986 -62.252 -15.547 1.00 2.15 N ATOM 0 H ASN A 30 -35.267 -59.986 -15.775 1.00 2.23 H new ATOM 0 HA ASN A 30 -36.267 -60.356 -18.192 1.00 2.86 H new ATOM 0 HB2 ASN A 30 -37.754 -59.740 -15.651 1.00 2.67 H new ATOM 0 HB3 ASN A 30 -38.616 -59.830 -17.174 1.00 2.67 H new ATOM 0 HD21 ASN A 30 -36.911 -63.263 -15.432 1.00 2.15 H new ATOM 0 HD22 ASN A 30 -36.476 -61.628 -14.921 1.00 2.15 H new ATOM 514 N PHE A 31 -36.460 -57.192 -17.239 1.00 2.23 N ATOM 515 CA PHE A 31 -36.668 -55.824 -17.752 1.00 2.86 C ATOM 516 C PHE A 31 -35.827 -55.619 -19.016 1.00 2.04 C ATOM 517 O PHE A 31 -36.356 -55.288 -20.110 1.00 1.52 O ATOM 518 CB PHE A 31 -36.444 -54.776 -16.610 1.00 2.67 C ATOM 519 CG PHE A 31 -36.780 -53.340 -17.051 1.00 2.46 C ATOM 520 CD1 PHE A 31 -35.688 -52.555 -17.386 1.00 2.00 C ATOM 521 CD2 PHE A 31 -38.083 -52.736 -16.884 1.00 2.00 C ATOM 522 CE1 PHE A 31 -35.891 -51.298 -17.819 1.00 2.00 C ATOM 523 CE2 PHE A 31 -38.230 -51.406 -17.262 1.00 2.00 C ATOM 524 CZ PHE A 31 -37.135 -50.697 -17.711 1.00 2.00 C ATOM 0 H PHE A 31 -36.014 -57.241 -16.323 1.00 2.23 H new ATOM 0 HA PHE A 31 -37.701 -55.670 -18.064 1.00 2.86 H new ATOM 0 HB2 PHE A 31 -37.061 -55.042 -15.751 1.00 2.67 H new ATOM 0 HB3 PHE A 31 -35.405 -54.818 -16.282 1.00 2.67 H new ATOM 0 HD1 PHE A 31 -34.686 -52.948 -17.300 1.00 2.00 H new ATOM 0 HD2 PHE A 31 -38.912 -53.298 -16.480 1.00 2.00 H new ATOM 0 HE1 PHE A 31 -35.072 -50.748 -18.258 1.00 2.00 H new ATOM 0 HE2 PHE A 31 -39.198 -50.930 -17.204 1.00 2.00 H new ATOM 0 HZ PHE A 31 -37.249 -49.658 -17.982 1.00 2.00 H new ATOM 534 N LYS A 32 -34.598 -55.936 -18.911 1.00 2.23 N ATOM 535 CA LYS A 32 -33.651 -55.892 -20.067 1.00 2.86 C ATOM 536 C LYS A 32 -34.033 -56.723 -21.325 1.00 2.04 C ATOM 537 O LYS A 32 -33.877 -56.364 -22.488 1.00 1.52 O ATOM 538 CB LYS A 32 -32.401 -56.473 -19.495 1.00 2.67 C ATOM 539 CG LYS A 32 -31.118 -56.027 -20.215 1.00 2.46 C ATOM 540 CD LYS A 32 -29.904 -56.226 -19.381 1.00 2.44 C ATOM 541 CE LYS A 32 -29.634 -57.640 -18.935 1.00 2.80 C ATOM 542 NZ LYS A 32 -29.520 -58.577 -20.025 1.00 2.13 N1+ ATOM 0 H LYS A 32 -34.170 -56.242 -18.037 1.00 2.23 H new ATOM 0 HA LYS A 32 -33.606 -54.869 -20.440 1.00 2.86 H new ATOM 0 HB2 LYS A 32 -32.331 -56.194 -18.444 1.00 2.67 H new ATOM 0 HB3 LYS A 32 -32.467 -57.560 -19.533 1.00 2.67 H new ATOM 0 HG2 LYS A 32 -31.013 -56.586 -21.145 1.00 2.46 H new ATOM 0 HG3 LYS A 32 -31.202 -54.974 -20.484 1.00 2.46 H new ATOM 0 HD2 LYS A 32 -29.039 -55.872 -19.942 1.00 2.44 H new ATOM 0 HD3 LYS A 32 -29.989 -55.596 -18.495 1.00 2.44 H new ATOM 0 HE2 LYS A 32 -28.713 -57.659 -18.353 1.00 2.80 H new ATOM 0 HE3 LYS A 32 -30.437 -57.963 -18.272 1.00 2.80 H new ATOM 0 HZ1 LYS A 32 -29.454 -59.543 -19.647 1.00 2.13 H new ATOM 0 HZ2 LYS A 32 -30.358 -58.502 -20.637 1.00 2.13 H new ATOM 0 HZ3 LYS A 32 -28.666 -58.363 -20.579 1.00 2.13 H new ATOM 556 N LYS A 33 -34.569 -57.928 -21.032 1.00 2.23 N ATOM 557 CA LYS A 33 -34.988 -58.887 -22.050 1.00 2.86 C ATOM 558 C LYS A 33 -36.239 -58.312 -22.883 1.00 2.04 C ATOM 559 O LYS A 33 -36.395 -58.326 -24.139 1.00 1.52 O ATOM 560 CB LYS A 33 -35.375 -60.254 -21.372 1.00 2.67 C ATOM 561 CG LYS A 33 -35.842 -61.470 -22.209 1.00 2.46 C ATOM 562 CD LYS A 33 -36.187 -62.705 -21.315 1.00 2.44 C ATOM 563 CE LYS A 33 -36.636 -63.997 -22.069 1.00 2.80 C ATOM 564 NZ LYS A 33 -35.559 -64.910 -22.436 1.00 2.13 N1+ ATOM 0 H LYS A 33 -34.719 -58.254 -20.077 1.00 2.23 H new ATOM 0 HA LYS A 33 -34.158 -59.051 -22.738 1.00 2.86 H new ATOM 0 HB2 LYS A 33 -34.507 -60.579 -20.798 1.00 2.67 H new ATOM 0 HB3 LYS A 33 -36.168 -60.039 -20.656 1.00 2.67 H new ATOM 0 HG2 LYS A 33 -36.718 -61.191 -22.794 1.00 2.46 H new ATOM 0 HG3 LYS A 33 -35.060 -61.743 -22.917 1.00 2.46 H new ATOM 0 HD2 LYS A 33 -35.312 -62.947 -20.712 1.00 2.44 H new ATOM 0 HD3 LYS A 33 -36.980 -62.418 -20.625 1.00 2.44 H new ATOM 0 HE2 LYS A 33 -37.348 -64.534 -21.443 1.00 2.80 H new ATOM 0 HE3 LYS A 33 -37.166 -63.704 -22.975 1.00 2.80 H new ATOM 0 HZ1 LYS A 33 -35.956 -65.734 -22.930 1.00 2.13 H new ATOM 0 HZ2 LYS A 33 -34.888 -64.421 -23.062 1.00 2.13 H new ATOM 0 HZ3 LYS A 33 -35.064 -65.226 -21.578 1.00 2.13 H new ATOM 578 N LYS A 34 -37.155 -57.774 -22.147 1.00 2.23 N ATOM 579 CA LYS A 34 -38.391 -57.147 -22.650 1.00 2.86 C ATOM 580 C LYS A 34 -38.037 -55.970 -23.577 1.00 2.04 C ATOM 581 O LYS A 34 -38.579 -55.909 -24.659 1.00 1.52 O ATOM 582 CB LYS A 34 -39.231 -56.648 -21.488 1.00 2.67 C ATOM 583 CG LYS A 34 -40.580 -55.971 -21.871 1.00 2.46 C ATOM 584 CD LYS A 34 -41.737 -56.966 -22.369 1.00 2.44 C ATOM 585 CE LYS A 34 -42.155 -56.784 -23.837 1.00 2.80 C ATOM 586 NZ LYS A 34 -43.322 -57.581 -24.108 1.00 2.13 N1+ ATOM 0 H LYS A 34 -37.085 -57.744 -21.130 1.00 2.23 H new ATOM 0 HA LYS A 34 -38.962 -57.888 -23.209 1.00 2.86 H new ATOM 0 HB2 LYS A 34 -39.443 -57.490 -20.829 1.00 2.67 H new ATOM 0 HB3 LYS A 34 -38.638 -55.935 -20.915 1.00 2.67 H new ATOM 0 HG2 LYS A 34 -40.948 -55.419 -21.006 1.00 2.46 H new ATOM 0 HG3 LYS A 34 -40.389 -55.241 -22.658 1.00 2.46 H new ATOM 0 HD2 LYS A 34 -41.400 -57.993 -22.226 1.00 2.44 H new ATOM 0 HD3 LYS A 34 -42.614 -56.827 -21.736 1.00 2.44 H new ATOM 0 HE2 LYS A 34 -42.365 -55.734 -24.039 1.00 2.80 H new ATOM 0 HE3 LYS A 34 -41.339 -57.079 -24.497 1.00 2.80 H new ATOM 0 HZ1 LYS A 34 -43.604 -57.457 -25.101 1.00 2.13 H new ATOM 0 HZ2 LYS A 34 -43.107 -58.583 -23.932 1.00 2.13 H new ATOM 0 HZ3 LYS A 34 -44.100 -57.280 -23.487 1.00 2.13 H new HETATM 600 N NH2 A 35 -37.106 -55.103 -23.135 1.00 2.23 N TER 603 NH2 A 35