USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=8 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+ 180:sc= 0 (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+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 48:sc= 0.741 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 69:sc= 1.07 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 79:sc= 0.212 USER MOD Single : A 21 ASN : amide:sc= 1.17 K(o=1.2,f=-0.078) USER MOD Single : A 22 MET CE :methyl -174:sc= 0 (180deg=-0.0518) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.6) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -107:sc= 0.413 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -34.434 -60.233 25.046 1.00 2.23 N ATOM 2 CA LYS A 1 -33.267 -59.338 25.182 1.00 2.86 C ATOM 3 C LYS A 1 -32.131 -59.644 24.197 1.00 2.04 C ATOM 4 O LYS A 1 -31.736 -60.801 24.083 1.00 1.52 O ATOM 5 CB LYS A 1 -32.802 -59.572 26.637 1.00 2.67 C ATOM 6 CG LYS A 1 -31.628 -58.507 26.990 1.00 2.46 C ATOM 7 CD LYS A 1 -31.302 -58.520 28.479 1.00 2.44 C ATOM 8 CE LYS A 1 -30.082 -57.658 28.794 1.00 2.80 C ATOM 9 NZ LYS A 1 -29.629 -57.953 30.116 1.00 2.13 N1+ ATOM 0 H1 LYS A 1 -35.159 -59.966 25.742 1.00 2.23 H new ATOM 0 H2 LYS A 1 -34.827 -60.148 24.087 1.00 2.23 H new ATOM 0 H3 LYS A 1 -34.139 -61.216 25.213 1.00 2.23 H new ATOM 0 HA LYS A 1 -33.538 -58.306 24.958 1.00 2.86 H new ATOM 0 HB2 LYS A 1 -33.639 -59.452 27.325 1.00 2.67 H new ATOM 0 HB3 LYS A 1 -32.435 -60.591 26.756 1.00 2.67 H new ATOM 0 HG2 LYS A 1 -30.732 -58.746 26.417 1.00 2.46 H new ATOM 0 HG3 LYS A 1 -31.940 -57.506 26.692 1.00 2.46 H new ATOM 0 HD2 LYS A 1 -32.161 -58.156 29.043 1.00 2.44 H new ATOM 0 HD3 LYS A 1 -31.118 -59.544 28.803 1.00 2.44 H new ATOM 0 HE2 LYS A 1 -29.288 -57.852 28.073 1.00 2.80 H new ATOM 0 HE3 LYS A 1 -30.337 -56.601 28.711 1.00 2.80 H new ATOM 0 HZ1 LYS A 1 -28.798 -57.369 30.337 1.00 2.13 H new ATOM 0 HZ2 LYS A 1 -30.388 -57.747 30.797 1.00 2.13 H new ATOM 0 HZ3 LYS A 1 -29.372 -58.959 30.178 1.00 2.13 H new ATOM 25 N LYS A 2 -31.585 -58.589 23.591 1.00 2.23 N ATOM 26 CA LYS A 2 -30.939 -58.722 22.307 1.00 2.86 C ATOM 27 C LYS A 2 -29.527 -59.326 22.410 1.00 2.04 C ATOM 28 O LYS A 2 -28.978 -59.594 21.336 1.00 1.52 O ATOM 29 CB LYS A 2 -30.875 -57.210 21.821 1.00 2.67 C ATOM 30 CG LYS A 2 -29.934 -56.229 22.567 1.00 2.46 C ATOM 31 CD LYS A 2 -29.964 -54.819 21.980 1.00 2.44 C ATOM 32 CE LYS A 2 -28.988 -53.866 22.614 1.00 2.80 C ATOM 33 NZ LYS A 2 -29.313 -52.510 22.080 1.00 2.13 N1+ ATOM 0 H LYS A 2 -31.582 -57.644 23.974 1.00 2.23 H new ATOM 0 HA LYS A 2 -31.467 -59.396 21.633 1.00 2.86 H new ATOM 0 HB2 LYS A 2 -30.585 -57.212 20.770 1.00 2.67 H new ATOM 0 HB3 LYS A 2 -31.885 -56.803 21.872 1.00 2.67 H new ATOM 0 HG2 LYS A 2 -30.220 -56.186 23.618 1.00 2.46 H new ATOM 0 HG3 LYS A 2 -28.914 -56.612 22.530 1.00 2.46 H new ATOM 0 HD2 LYS A 2 -29.755 -54.878 20.912 1.00 2.44 H new ATOM 0 HD3 LYS A 2 -30.971 -54.415 22.086 1.00 2.44 H new ATOM 0 HE2 LYS A 2 -29.076 -53.887 23.700 1.00 2.80 H new ATOM 0 HE3 LYS A 2 -27.962 -54.143 22.372 1.00 2.80 H new ATOM 0 HZ1 LYS A 2 -28.662 -51.810 22.490 1.00 2.13 H new ATOM 0 HZ2 LYS A 2 -29.212 -52.511 21.045 1.00 2.13 H new ATOM 0 HZ3 LYS A 2 -30.291 -52.263 22.332 1.00 2.13 H new ATOM 47 N LYS A 3 -29.002 -59.412 23.614 1.00 2.23 N ATOM 48 CA LYS A 3 -27.635 -59.607 23.974 1.00 2.86 C ATOM 49 C LYS A 3 -27.027 -60.921 23.515 1.00 2.04 C ATOM 50 O LYS A 3 -25.913 -61.010 23.058 1.00 1.52 O ATOM 51 CB LYS A 3 -27.482 -59.395 25.476 1.00 2.67 C ATOM 52 CG LYS A 3 -26.049 -59.464 26.022 1.00 2.46 C ATOM 53 CD LYS A 3 -25.080 -58.469 25.454 1.00 2.44 C ATOM 54 CE LYS A 3 -23.812 -58.231 26.196 1.00 2.80 C ATOM 55 NZ LYS A 3 -23.000 -59.469 26.172 1.00 2.13 N1+ ATOM 0 H LYS A 3 -29.593 -59.338 24.442 1.00 2.23 H new ATOM 0 HA LYS A 3 -27.056 -58.861 23.429 1.00 2.86 H new ATOM 0 HB2 LYS A 3 -27.900 -58.421 25.730 1.00 2.67 H new ATOM 0 HB3 LYS A 3 -28.083 -60.144 25.992 1.00 2.67 H new ATOM 0 HG2 LYS A 3 -26.086 -59.329 27.103 1.00 2.46 H new ATOM 0 HG3 LYS A 3 -25.660 -60.466 25.839 1.00 2.46 H new ATOM 0 HD2 LYS A 3 -24.822 -58.792 24.445 1.00 2.44 H new ATOM 0 HD3 LYS A 3 -25.597 -57.514 25.361 1.00 2.44 H new ATOM 0 HE2 LYS A 3 -23.259 -57.409 25.742 1.00 2.80 H new ATOM 0 HE3 LYS A 3 -24.026 -57.941 27.225 1.00 2.80 H new ATOM 0 HZ1 LYS A 3 -22.111 -59.311 26.689 1.00 2.13 H new ATOM 0 HZ2 LYS A 3 -23.531 -60.241 26.623 1.00 2.13 H new ATOM 0 HZ3 LYS A 3 -22.787 -59.725 25.187 1.00 2.13 H new ATOM 69 N GLY A 4 -27.772 -62.087 23.647 1.00 2.23 N ATOM 70 CA GLY A 4 -27.294 -63.362 23.165 1.00 2.38 C ATOM 71 C GLY A 4 -28.034 -63.905 22.016 1.00 2.04 C ATOM 72 O GLY A 4 -27.645 -64.979 21.488 1.00 1.52 O ATOM 0 H GLY A 4 -28.692 -62.124 24.086 1.00 2.23 H new ATOM 0 HA2 GLY A 4 -26.245 -63.259 22.888 1.00 2.38 H new ATOM 0 HA3 GLY A 4 -27.339 -64.083 23.981 1.00 2.38 H new ATOM 76 N ILE A 5 -29.123 -63.266 21.513 1.00 2.23 N ATOM 77 CA ILE A 5 -29.989 -63.765 20.420 1.00 2.86 C ATOM 78 C ILE A 5 -29.783 -63.044 19.037 1.00 2.04 C ATOM 79 O ILE A 5 -30.464 -63.295 18.050 1.00 1.52 O ATOM 80 CB ILE A 5 -31.484 -63.639 20.773 1.00 2.67 C ATOM 81 CG1 ILE A 5 -32.043 -62.236 20.923 1.00 2.46 C ATOM 82 CG2 ILE A 5 -31.644 -64.436 22.108 1.00 2.46 C ATOM 83 CD1 ILE A 5 -33.573 -62.259 21.172 1.00 2.44 C ATOM 0 H ILE A 5 -29.429 -62.361 21.871 1.00 2.23 H new ATOM 0 HA ILE A 5 -29.687 -64.807 20.316 1.00 2.86 H new ATOM 0 HB ILE A 5 -32.063 -64.025 19.934 1.00 2.67 H new ATOM 0 HG12 ILE A 5 -31.546 -61.732 21.751 1.00 2.46 H new ATOM 0 HG13 ILE A 5 -31.828 -61.659 20.023 1.00 2.46 H new ATOM 0 HG21 ILE A 5 -32.684 -64.398 22.432 1.00 2.46 H new ATOM 0 HG22 ILE A 5 -31.352 -65.474 21.949 1.00 2.46 H new ATOM 0 HG23 ILE A 5 -31.008 -63.993 22.875 1.00 2.46 H new ATOM 0 HD11 ILE A 5 -33.940 -61.238 21.275 1.00 2.44 H new ATOM 0 HD12 ILE A 5 -34.071 -62.741 20.331 1.00 2.44 H new ATOM 0 HD13 ILE A 5 -33.785 -62.814 22.086 1.00 2.44 H new ATOM 95 N CYS A 6 -28.871 -62.113 19.074 1.00 2.23 N ATOM 96 CA CYS A 6 -28.455 -61.268 17.963 1.00 2.86 C ATOM 97 C CYS A 6 -27.870 -62.147 16.852 1.00 2.04 C ATOM 98 O CYS A 6 -27.974 -61.781 15.740 1.00 1.52 O ATOM 99 CB CYS A 6 -27.452 -60.200 18.370 1.00 2.67 C ATOM 100 SG CYS A 6 -25.985 -60.745 19.290 1.00 2.00 S ATOM 0 H CYS A 6 -28.359 -61.902 19.931 1.00 2.23 H new ATOM 0 HA CYS A 6 -29.339 -60.740 17.606 1.00 2.86 H new ATOM 0 HB2 CYS A 6 -27.114 -59.692 17.467 1.00 2.67 H new ATOM 0 HB3 CYS A 6 -27.974 -59.460 18.976 1.00 2.67 H new ATOM 0 HG CYS A 6 -25.456 -61.772 18.694 1.00 2.00 H new ATOM 106 N PHE A 7 -27.293 -63.249 17.242 1.00 2.23 N ATOM 107 CA PHE A 7 -26.662 -64.228 16.381 1.00 2.86 C ATOM 108 C PHE A 7 -27.713 -64.852 15.439 1.00 2.04 C ATOM 109 O PHE A 7 -27.530 -64.887 14.205 1.00 1.52 O ATOM 110 CB PHE A 7 -26.076 -65.372 17.256 1.00 2.67 C ATOM 111 CG PHE A 7 -25.109 -64.749 18.243 1.00 2.46 C ATOM 112 CD1 PHE A 7 -24.248 -63.643 17.932 1.00 2.00 C ATOM 113 CD2 PHE A 7 -25.162 -65.338 19.490 1.00 2.00 C ATOM 114 CE1 PHE A 7 -23.422 -63.170 18.939 1.00 2.00 C ATOM 115 CE2 PHE A 7 -24.262 -64.825 20.446 1.00 2.00 C ATOM 116 CZ PHE A 7 -23.457 -63.743 20.212 1.00 2.00 C ATOM 0 H PHE A 7 -27.244 -63.510 18.227 1.00 2.23 H new ATOM 0 HA PHE A 7 -25.879 -63.737 15.803 1.00 2.86 H new ATOM 0 HB2 PHE A 7 -26.873 -65.898 17.782 1.00 2.67 H new ATOM 0 HB3 PHE A 7 -25.566 -66.107 16.633 1.00 2.67 H new ATOM 0 HD1 PHE A 7 -24.244 -63.196 16.949 1.00 2.00 H new ATOM 0 HD2 PHE A 7 -25.848 -66.140 19.719 1.00 2.00 H new ATOM 0 HE1 PHE A 7 -22.746 -62.352 18.738 1.00 2.00 H new ATOM 0 HE2 PHE A 7 -24.205 -65.309 21.410 1.00 2.00 H new ATOM 0 HZ PHE A 7 -22.852 -63.334 21.008 1.00 2.00 H new ATOM 126 N PHE A 8 -28.946 -65.204 15.873 1.00 2.23 N ATOM 127 CA PHE A 8 -29.973 -65.767 15.068 1.00 2.86 C ATOM 128 C PHE A 8 -30.481 -64.619 14.161 1.00 2.04 C ATOM 129 O PHE A 8 -30.673 -64.901 13.022 1.00 1.52 O ATOM 130 CB PHE A 8 -31.076 -66.313 15.964 1.00 2.67 C ATOM 131 CG PHE A 8 -32.060 -67.038 15.004 1.00 2.46 C ATOM 132 CD1 PHE A 8 -33.371 -66.489 14.787 1.00 2.00 C ATOM 133 CD2 PHE A 8 -31.665 -68.290 14.479 1.00 2.00 C ATOM 134 CE1 PHE A 8 -34.207 -67.227 13.898 1.00 2.00 C ATOM 135 CE2 PHE A 8 -32.487 -68.936 13.609 1.00 2.00 C ATOM 136 CZ PHE A 8 -33.774 -68.421 13.286 1.00 2.00 C ATOM 0 H PHE A 8 -29.231 -65.084 16.845 1.00 2.23 H new ATOM 0 HA PHE A 8 -29.620 -66.600 14.459 1.00 2.86 H new ATOM 0 HB2 PHE A 8 -30.674 -67.000 16.709 1.00 2.67 H new ATOM 0 HB3 PHE A 8 -31.575 -65.511 16.507 1.00 2.67 H new ATOM 0 HD1 PHE A 8 -33.701 -65.579 15.265 1.00 2.00 H new ATOM 0 HD2 PHE A 8 -30.721 -68.729 14.766 1.00 2.00 H new ATOM 0 HE1 PHE A 8 -35.201 -66.861 13.687 1.00 2.00 H new ATOM 0 HE2 PHE A 8 -32.157 -69.858 13.154 1.00 2.00 H new ATOM 0 HZ PHE A 8 -34.410 -68.938 12.582 1.00 2.00 H new ATOM 146 N CYS A 9 -30.708 -63.420 14.676 1.00 2.23 N ATOM 147 CA CYS A 9 -31.307 -62.286 13.915 1.00 2.86 C ATOM 148 C CYS A 9 -30.432 -61.989 12.743 1.00 2.04 C ATOM 149 O CYS A 9 -30.996 -61.832 11.634 1.00 1.52 O ATOM 150 CB CYS A 9 -31.547 -61.033 14.723 1.00 2.67 C ATOM 151 SG CYS A 9 -32.873 -61.260 16.031 1.00 2.00 S ATOM 0 H CYS A 9 -30.486 -63.184 15.643 1.00 2.23 H new ATOM 0 HA CYS A 9 -32.301 -62.608 13.603 1.00 2.86 H new ATOM 0 HB2 CYS A 9 -30.616 -60.731 15.203 1.00 2.67 H new ATOM 0 HB3 CYS A 9 -31.837 -60.223 14.053 1.00 2.67 H new ATOM 0 HG CYS A 9 -33.028 -60.150 16.689 1.00 2.00 H new ATOM 157 N SER A 10 -29.080 -61.953 12.915 1.00 2.23 N ATOM 158 CA SER A 10 -28.060 -61.606 11.891 1.00 2.86 C ATOM 159 C SER A 10 -27.993 -62.606 10.730 1.00 2.04 C ATOM 160 O SER A 10 -27.736 -62.212 9.597 1.00 1.52 O ATOM 161 CB SER A 10 -26.608 -61.354 12.519 1.00 2.67 C ATOM 162 OG SER A 10 -26.669 -60.475 13.628 1.00 1.64 O ATOM 0 H SER A 10 -28.655 -62.176 13.815 1.00 2.23 H new ATOM 0 HA SER A 10 -28.403 -60.661 11.470 1.00 2.86 H new ATOM 0 HB2 SER A 10 -26.175 -62.305 12.830 1.00 2.67 H new ATOM 0 HB3 SER A 10 -25.948 -60.937 11.758 1.00 2.67 H new ATOM 0 HG SER A 10 -27.125 -60.919 14.373 1.00 1.64 H new ATOM 168 N TYR A 11 -28.234 -63.891 10.961 1.00 2.23 N ATOM 169 CA TYR A 11 -28.441 -64.893 9.880 1.00 2.86 C ATOM 170 C TYR A 11 -29.592 -64.554 8.915 1.00 2.04 C ATOM 171 O TYR A 11 -29.455 -64.789 7.721 1.00 1.52 O ATOM 172 CB TYR A 11 -28.722 -66.299 10.372 1.00 2.67 C ATOM 173 CG TYR A 11 -27.455 -66.930 10.907 1.00 2.46 C ATOM 174 CD1 TYR A 11 -26.369 -67.085 10.054 1.00 2.00 C ATOM 175 CD2 TYR A 11 -27.276 -67.006 12.305 1.00 2.00 C ATOM 176 CE1 TYR A 11 -25.120 -67.540 10.600 1.00 2.00 C ATOM 177 CE2 TYR A 11 -26.032 -67.402 12.866 1.00 2.00 C ATOM 178 CZ TYR A 11 -24.991 -67.737 11.976 1.00 2.00 C ATOM 179 OH TYR A 11 -23.737 -68.127 12.434 1.00 1.85 O ATOM 0 H TYR A 11 -28.295 -64.285 11.900 1.00 2.23 H new ATOM 0 HA TYR A 11 -27.480 -64.852 9.367 1.00 2.86 H new ATOM 0 HB2 TYR A 11 -29.482 -66.273 11.153 1.00 2.67 H new ATOM 0 HB3 TYR A 11 -29.122 -66.904 9.558 1.00 2.67 H new ATOM 0 HD1 TYR A 11 -26.462 -66.868 9.000 1.00 2.00 H new ATOM 0 HD2 TYR A 11 -28.099 -66.759 12.960 1.00 2.00 H new ATOM 0 HE1 TYR A 11 -24.282 -67.729 9.946 1.00 2.00 H new ATOM 0 HE2 TYR A 11 -25.889 -67.445 13.936 1.00 2.00 H new ATOM 0 HH TYR A 11 -23.763 -68.234 13.408 1.00 1.85 H new ATOM 189 N ILE A 12 -30.752 -64.041 9.454 1.00 2.23 N ATOM 190 CA ILE A 12 -31.922 -63.584 8.670 1.00 2.86 C ATOM 191 C ILE A 12 -31.572 -62.387 7.839 1.00 2.04 C ATOM 192 O ILE A 12 -31.802 -62.285 6.680 1.00 1.52 O ATOM 193 CB ILE A 12 -33.081 -63.229 9.637 1.00 2.67 C ATOM 194 CG1 ILE A 12 -33.313 -64.123 10.841 1.00 2.46 C ATOM 195 CG2 ILE A 12 -34.404 -63.118 8.813 1.00 2.46 C ATOM 196 CD1 ILE A 12 -33.636 -65.683 10.579 1.00 2.44 C ATOM 0 H ILE A 12 -30.886 -63.939 10.460 1.00 2.23 H new ATOM 0 HA ILE A 12 -32.231 -64.387 8.001 1.00 2.86 H new ATOM 0 HB ILE A 12 -32.764 -62.288 10.087 1.00 2.67 H new ATOM 0 HG12 ILE A 12 -32.427 -64.068 11.473 1.00 2.46 H new ATOM 0 HG13 ILE A 12 -34.140 -63.703 11.414 1.00 2.46 H new ATOM 0 HG21 ILE A 12 -35.229 -62.869 9.481 1.00 2.46 H new ATOM 0 HG22 ILE A 12 -34.299 -62.338 8.059 1.00 2.46 H new ATOM 0 HG23 ILE A 12 -34.609 -64.070 8.324 1.00 2.46 H new ATOM 0 HD11 ILE A 12 -33.777 -66.191 11.533 1.00 2.44 H new ATOM 0 HD12 ILE A 12 -34.544 -65.771 9.983 1.00 2.44 H new ATOM 0 HD13 ILE A 12 -32.805 -66.142 10.043 1.00 2.44 H new ATOM 208 N ILE A 13 -30.872 -61.380 8.459 1.00 2.23 N ATOM 209 CA ILE A 13 -30.410 -60.182 7.747 1.00 2.86 C ATOM 210 C ILE A 13 -29.492 -60.493 6.577 1.00 2.04 C ATOM 211 O ILE A 13 -29.691 -60.087 5.464 1.00 1.52 O ATOM 212 CB ILE A 13 -29.735 -59.244 8.685 1.00 2.67 C ATOM 213 CG1 ILE A 13 -30.624 -58.788 9.873 1.00 2.46 C ATOM 214 CG2 ILE A 13 -29.364 -58.033 7.894 1.00 2.46 C ATOM 215 CD1 ILE A 13 -31.984 -58.168 9.541 1.00 2.44 C ATOM 0 H ILE A 13 -30.626 -61.394 9.449 1.00 2.23 H new ATOM 0 HA ILE A 13 -31.302 -59.713 7.333 1.00 2.86 H new ATOM 0 HB ILE A 13 -28.881 -59.765 9.118 1.00 2.67 H new ATOM 0 HG12 ILE A 13 -30.796 -59.652 10.515 1.00 2.46 H new ATOM 0 HG13 ILE A 13 -30.058 -58.063 10.458 1.00 2.46 H new ATOM 0 HG21 ILE A 13 -28.864 -57.314 8.543 1.00 2.46 H new ATOM 0 HG22 ILE A 13 -28.693 -58.319 7.084 1.00 2.46 H new ATOM 0 HG23 ILE A 13 -30.264 -57.581 7.477 1.00 2.46 H new ATOM 0 HD11 ILE A 13 -32.496 -57.897 10.465 1.00 2.44 H new ATOM 0 HD12 ILE A 13 -31.838 -57.276 8.932 1.00 2.44 H new ATOM 0 HD13 ILE A 13 -32.588 -58.889 8.990 1.00 2.44 H new ATOM 227 N ILE A 14 -28.515 -61.367 6.770 1.00 2.23 N ATOM 228 CA ILE A 14 -27.644 -61.780 5.739 1.00 2.86 C ATOM 229 C ILE A 14 -28.332 -62.545 4.693 1.00 2.04 C ATOM 230 O ILE A 14 -28.145 -62.450 3.476 1.00 1.52 O ATOM 231 CB ILE A 14 -26.283 -62.444 6.288 1.00 2.67 C ATOM 232 CG1 ILE A 14 -25.563 -61.451 7.283 1.00 2.46 C ATOM 233 CG2 ILE A 14 -25.318 -62.740 5.143 1.00 2.46 C ATOM 234 CD1 ILE A 14 -24.755 -60.316 6.698 1.00 2.44 C ATOM 0 H ILE A 14 -28.322 -61.802 7.672 1.00 2.23 H new ATOM 0 HA ILE A 14 -27.304 -60.876 5.234 1.00 2.86 H new ATOM 0 HB ILE A 14 -26.549 -63.372 6.793 1.00 2.67 H new ATOM 0 HG12 ILE A 14 -26.325 -61.018 7.931 1.00 2.46 H new ATOM 0 HG13 ILE A 14 -24.900 -62.038 7.919 1.00 2.46 H new ATOM 0 HG21 ILE A 14 -24.407 -63.188 5.541 1.00 2.46 H new ATOM 0 HG22 ILE A 14 -25.786 -63.431 4.442 1.00 2.46 H new ATOM 0 HG23 ILE A 14 -25.070 -61.812 4.627 1.00 2.46 H new ATOM 0 HD11 ILE A 14 -24.323 -59.723 7.504 1.00 2.44 H new ATOM 0 HD12 ILE A 14 -23.956 -60.721 6.077 1.00 2.44 H new ATOM 0 HD13 ILE A 14 -25.402 -59.684 6.090 1.00 2.44 H new ATOM 246 N SER A 15 -29.376 -63.326 5.074 1.00 2.23 N ATOM 247 CA SER A 15 -30.236 -63.990 4.129 1.00 2.86 C ATOM 248 C SER A 15 -31.097 -63.094 3.276 1.00 2.04 C ATOM 249 O SER A 15 -31.406 -63.454 2.093 1.00 1.52 O ATOM 250 CB SER A 15 -31.232 -65.003 4.705 1.00 2.67 C ATOM 251 OG SER A 15 -30.478 -66.100 5.124 1.00 1.64 O ATOM 0 H SER A 15 -29.623 -63.497 6.049 1.00 2.23 H new ATOM 0 HA SER A 15 -29.457 -64.483 3.547 1.00 2.86 H new ATOM 0 HB2 SER A 15 -31.787 -64.572 5.538 1.00 2.67 H new ATOM 0 HB3 SER A 15 -31.964 -65.299 3.953 1.00 2.67 H new ATOM 0 HG SER A 15 -30.067 -65.902 5.991 1.00 1.64 H new ATOM 257 N PHE A 16 -31.680 -61.983 3.869 1.00 2.23 N ATOM 258 CA PHE A 16 -32.464 -60.924 3.227 1.00 2.86 C ATOM 259 C PHE A 16 -31.603 -60.240 2.117 1.00 2.04 C ATOM 260 O PHE A 16 -32.109 -59.849 1.131 1.00 1.52 O ATOM 261 CB PHE A 16 -32.891 -59.931 4.298 1.00 2.67 C ATOM 262 CG PHE A 16 -34.073 -59.072 4.027 1.00 2.46 C ATOM 263 CD1 PHE A 16 -33.930 -57.707 3.957 1.00 2.00 C ATOM 264 CD2 PHE A 16 -35.304 -59.663 3.733 1.00 2.00 C ATOM 265 CE1 PHE A 16 -35.074 -56.938 3.625 1.00 2.00 C ATOM 266 CE2 PHE A 16 -36.438 -58.883 3.432 1.00 2.00 C ATOM 267 CZ PHE A 16 -36.306 -57.482 3.474 1.00 2.00 C ATOM 0 H PHE A 16 -31.591 -61.823 4.872 1.00 2.23 H new ATOM 0 HA PHE A 16 -33.355 -61.331 2.750 1.00 2.86 H new ATOM 0 HB2 PHE A 16 -33.089 -60.491 5.212 1.00 2.67 H new ATOM 0 HB3 PHE A 16 -32.044 -59.277 4.502 1.00 2.67 H new ATOM 0 HD1 PHE A 16 -32.977 -57.235 4.149 1.00 2.00 H new ATOM 0 HD2 PHE A 16 -35.388 -60.740 3.736 1.00 2.00 H new ATOM 0 HE1 PHE A 16 -34.959 -55.873 3.487 1.00 2.00 H new ATOM 0 HE2 PHE A 16 -37.380 -59.346 3.177 1.00 2.00 H new ATOM 0 HZ PHE A 16 -37.176 -56.848 3.387 1.00 2.00 H new ATOM 277 N LEU A 17 -30.272 -60.113 2.249 1.00 2.23 N ATOM 278 CA LEU A 17 -29.423 -59.455 1.319 1.00 2.86 C ATOM 279 C LEU A 17 -29.375 -60.355 0.072 1.00 2.04 C ATOM 280 O LEU A 17 -29.403 -59.937 -1.022 1.00 1.52 O ATOM 281 CB LEU A 17 -28.043 -59.026 1.797 1.00 2.67 C ATOM 282 CG LEU A 17 -28.143 -58.165 3.070 1.00 2.46 C ATOM 283 CD1 LEU A 17 -26.852 -58.081 3.869 1.00 2.44 C ATOM 284 CD2 LEU A 17 -28.719 -56.841 2.862 1.00 2.44 C ATOM 0 H LEU A 17 -29.765 -60.491 3.049 1.00 2.23 H new ATOM 0 HA LEU A 17 -29.858 -58.476 1.117 1.00 2.86 H new ATOM 0 HB2 LEU A 17 -27.433 -59.907 1.997 1.00 2.67 H new ATOM 0 HB3 LEU A 17 -27.541 -58.462 1.011 1.00 2.67 H new ATOM 0 HG LEU A 17 -28.856 -58.720 3.680 1.00 2.46 H new ATOM 0 HD11 LEU A 17 -27.008 -57.457 4.749 1.00 2.44 H new ATOM 0 HD12 LEU A 17 -26.552 -59.081 4.183 1.00 2.44 H new ATOM 0 HD13 LEU A 17 -26.068 -57.645 3.249 1.00 2.44 H new ATOM 0 HD21 LEU A 17 -28.751 -56.305 3.811 1.00 2.44 H new ATOM 0 HD22 LEU A 17 -28.107 -56.285 2.152 1.00 2.44 H new ATOM 0 HD23 LEU A 17 -29.730 -56.942 2.468 1.00 2.44 H new ATOM 296 N ILE A 18 -29.267 -61.731 0.217 1.00 2.23 N ATOM 297 CA ILE A 18 -29.114 -62.719 -0.839 1.00 2.86 C ATOM 298 C ILE A 18 -30.368 -62.878 -1.622 1.00 2.04 C ATOM 299 O ILE A 18 -30.252 -62.695 -2.837 1.00 1.52 O ATOM 300 CB ILE A 18 -28.688 -64.151 -0.399 1.00 2.67 C ATOM 301 CG1 ILE A 18 -27.363 -64.166 0.476 1.00 2.46 C ATOM 302 CG2 ILE A 18 -28.384 -65.076 -1.606 1.00 2.46 C ATOM 303 CD1 ILE A 18 -26.227 -63.334 -0.156 1.00 2.44 C ATOM 0 H ILE A 18 -29.290 -62.166 1.140 1.00 2.23 H new ATOM 0 HA ILE A 18 -28.296 -62.298 -1.423 1.00 2.86 H new ATOM 0 HB ILE A 18 -29.543 -64.505 0.177 1.00 2.67 H new ATOM 0 HG12 ILE A 18 -27.584 -63.777 1.470 1.00 2.46 H new ATOM 0 HG13 ILE A 18 -27.027 -65.195 0.603 1.00 2.46 H new ATOM 0 HG21 ILE A 18 -28.092 -66.062 -1.244 1.00 2.46 H new ATOM 0 HG22 ILE A 18 -29.274 -65.167 -2.228 1.00 2.46 H new ATOM 0 HG23 ILE A 18 -27.572 -64.650 -2.195 1.00 2.46 H new ATOM 0 HD11 ILE A 18 -25.345 -63.378 0.483 1.00 2.44 H new ATOM 0 HD12 ILE A 18 -25.984 -63.738 -1.139 1.00 2.44 H new ATOM 0 HD13 ILE A 18 -26.549 -62.298 -0.259 1.00 2.44 H new ATOM 315 N VAL A 19 -31.532 -63.137 -0.938 1.00 2.23 N ATOM 316 CA VAL A 19 -32.896 -63.095 -1.392 1.00 2.86 C ATOM 317 C VAL A 19 -33.324 -61.827 -2.061 1.00 2.04 C ATOM 318 O VAL A 19 -34.055 -61.885 -3.053 1.00 1.52 O ATOM 319 CB VAL A 19 -33.868 -63.368 -0.189 1.00 2.67 C ATOM 320 CG1 VAL A 19 -35.352 -63.291 -0.626 1.00 2.46 C ATOM 321 CG2 VAL A 19 -33.632 -64.727 0.316 1.00 2.46 C ATOM 0 H VAL A 19 -31.491 -63.405 0.045 1.00 2.23 H new ATOM 0 HA VAL A 19 -32.948 -63.871 -2.156 1.00 2.86 H new ATOM 0 HB VAL A 19 -33.675 -62.611 0.571 1.00 2.67 H new ATOM 0 HG11 VAL A 19 -35.995 -63.485 0.233 1.00 2.46 H new ATOM 0 HG12 VAL A 19 -35.564 -62.297 -1.021 1.00 2.46 H new ATOM 0 HG13 VAL A 19 -35.543 -64.036 -1.398 1.00 2.46 H new ATOM 0 HG21 VAL A 19 -34.303 -64.926 1.152 1.00 2.46 H new ATOM 0 HG22 VAL A 19 -33.820 -65.448 -0.479 1.00 2.46 H new ATOM 0 HG23 VAL A 19 -32.599 -64.816 0.651 1.00 2.46 H new ATOM 331 N VAL A 20 -32.940 -60.624 -1.548 1.00 2.23 N ATOM 332 CA VAL A 20 -33.189 -59.341 -2.245 1.00 2.86 C ATOM 333 C VAL A 20 -32.500 -59.346 -3.648 1.00 2.04 C ATOM 334 O VAL A 20 -33.108 -59.013 -4.671 1.00 1.52 O ATOM 335 CB VAL A 20 -32.727 -58.176 -1.467 1.00 2.67 C ATOM 336 CG1 VAL A 20 -32.283 -56.934 -2.264 1.00 2.46 C ATOM 337 CG2 VAL A 20 -33.844 -57.684 -0.599 1.00 2.46 C ATOM 0 H VAL A 20 -32.458 -60.522 -0.655 1.00 2.23 H new ATOM 0 HA VAL A 20 -34.269 -59.248 -2.363 1.00 2.86 H new ATOM 0 HB VAL A 20 -31.855 -58.566 -0.941 1.00 2.67 H new ATOM 0 HG11 VAL A 20 -31.968 -56.152 -1.573 1.00 2.46 H new ATOM 0 HG12 VAL A 20 -31.451 -57.199 -2.917 1.00 2.46 H new ATOM 0 HG13 VAL A 20 -33.116 -56.572 -2.867 1.00 2.46 H new ATOM 0 HG21 VAL A 20 -33.505 -56.823 -0.023 1.00 2.46 H new ATOM 0 HG22 VAL A 20 -34.689 -57.393 -1.223 1.00 2.46 H new ATOM 0 HG23 VAL A 20 -34.152 -58.477 0.082 1.00 2.46 H new ATOM 347 N ASN A 21 -31.198 -59.686 -3.691 1.00 2.23 N ATOM 348 CA ASN A 21 -30.361 -59.881 -4.870 1.00 2.86 C ATOM 349 C ASN A 21 -30.831 -60.882 -5.879 1.00 2.04 C ATOM 350 O ASN A 21 -30.648 -60.648 -7.068 1.00 1.52 O ATOM 351 CB ASN A 21 -28.842 -60.148 -4.457 1.00 2.67 C ATOM 352 CG ASN A 21 -28.136 -58.790 -4.144 1.00 1.98 C ATOM 353 OD1 ASN A 21 -27.893 -57.991 -5.062 1.00 1.42 O ATOM 354 ND2 ASN A 21 -27.940 -58.529 -2.820 1.00 2.15 N ATOM 0 H ASN A 21 -30.672 -59.841 -2.831 1.00 2.23 H new ATOM 0 HA ASN A 21 -30.447 -58.933 -5.400 1.00 2.86 H new ATOM 0 HB2 ASN A 21 -28.801 -60.800 -3.584 1.00 2.67 H new ATOM 0 HB3 ASN A 21 -28.321 -60.663 -5.264 1.00 2.67 H new ATOM 0 HD21 ASN A 21 -27.569 -57.625 -2.528 1.00 2.15 H new ATOM 0 HD22 ASN A 21 -28.164 -59.238 -2.122 1.00 2.15 H new ATOM 361 N MET A 22 -31.473 -61.952 -5.448 1.00 2.23 N ATOM 362 CA MET A 22 -32.139 -62.827 -6.354 1.00 2.86 C ATOM 363 C MET A 22 -33.360 -62.151 -7.070 1.00 2.04 C ATOM 364 O MET A 22 -33.579 -62.358 -8.257 1.00 1.52 O ATOM 365 CB MET A 22 -32.532 -64.132 -5.673 1.00 2.67 C ATOM 366 CG MET A 22 -31.353 -65.125 -5.330 1.00 2.46 C ATOM 367 SD MET A 22 -30.109 -65.348 -6.696 1.00 2.00 S ATOM 368 CE MET A 22 -31.263 -66.058 -7.951 1.00 2.10 C ATOM 0 H MET A 22 -31.539 -62.225 -4.467 1.00 2.23 H new ATOM 0 HA MET A 22 -31.424 -63.064 -7.142 1.00 2.86 H new ATOM 0 HB2 MET A 22 -33.056 -63.891 -4.748 1.00 2.67 H new ATOM 0 HB3 MET A 22 -33.242 -64.653 -6.315 1.00 2.67 H new ATOM 0 HG2 MET A 22 -30.837 -64.762 -4.441 1.00 2.46 H new ATOM 0 HG3 MET A 22 -31.776 -66.098 -5.078 1.00 2.46 H new ATOM 0 HE1 MET A 22 -30.698 -66.370 -8.829 1.00 2.10 H new ATOM 0 HE2 MET A 22 -31.778 -66.920 -7.526 1.00 2.10 H new ATOM 0 HE3 MET A 22 -31.995 -65.304 -8.240 1.00 2.10 H new ATOM 378 N TYR A 23 -34.076 -61.298 -6.254 1.00 2.23 N ATOM 379 CA TYR A 23 -35.101 -60.465 -6.844 1.00 2.86 C ATOM 380 C TYR A 23 -34.486 -59.450 -7.810 1.00 2.04 C ATOM 381 O TYR A 23 -35.010 -59.145 -8.859 1.00 1.52 O ATOM 382 CB TYR A 23 -36.049 -59.885 -5.780 1.00 2.67 C ATOM 383 CG TYR A 23 -37.206 -60.782 -5.456 1.00 2.46 C ATOM 384 CD1 TYR A 23 -38.348 -60.867 -6.302 1.00 2.00 C ATOM 385 CD2 TYR A 23 -37.279 -61.376 -4.156 1.00 2.00 C ATOM 386 CE1 TYR A 23 -39.529 -61.608 -5.914 1.00 2.00 C ATOM 387 CE2 TYR A 23 -38.527 -61.925 -3.751 1.00 2.00 C ATOM 388 CZ TYR A 23 -39.559 -62.096 -4.620 1.00 2.00 C ATOM 389 OH TYR A 23 -40.718 -62.649 -4.057 1.00 1.85 O ATOM 0 H TYR A 23 -33.947 -61.197 -5.247 1.00 2.23 H new ATOM 0 HA TYR A 23 -35.755 -61.079 -7.463 1.00 2.86 H new ATOM 0 HB2 TYR A 23 -35.484 -59.691 -4.868 1.00 2.67 H new ATOM 0 HB3 TYR A 23 -36.430 -58.925 -6.129 1.00 2.67 H new ATOM 0 HD1 TYR A 23 -38.333 -60.365 -7.258 1.00 2.00 H new ATOM 0 HD2 TYR A 23 -36.417 -61.406 -3.506 1.00 2.00 H new ATOM 0 HE1 TYR A 23 -40.346 -61.772 -6.601 1.00 2.00 H new ATOM 0 HE2 TYR A 23 -38.659 -62.216 -2.719 1.00 2.00 H new ATOM 0 HH TYR A 23 -40.531 -62.935 -3.138 1.00 1.85 H new ATOM 399 N ILE A 24 -33.405 -58.799 -7.451 1.00 2.23 N ATOM 400 CA ILE A 24 -32.590 -57.916 -8.315 1.00 2.86 C ATOM 401 C ILE A 24 -32.114 -58.599 -9.537 1.00 2.04 C ATOM 402 O ILE A 24 -32.348 -58.042 -10.590 1.00 1.52 O ATOM 403 CB ILE A 24 -31.397 -57.151 -7.643 1.00 2.67 C ATOM 404 CG1 ILE A 24 -31.880 -56.286 -6.447 1.00 2.46 C ATOM 405 CG2 ILE A 24 -30.649 -56.219 -8.611 1.00 2.46 C ATOM 406 CD1 ILE A 24 -32.696 -54.994 -6.758 1.00 2.44 C ATOM 0 H ILE A 24 -33.034 -58.861 -6.503 1.00 2.23 H new ATOM 0 HA ILE A 24 -33.313 -57.140 -8.568 1.00 2.86 H new ATOM 0 HB ILE A 24 -30.717 -57.935 -7.309 1.00 2.67 H new ATOM 0 HG12 ILE A 24 -32.490 -56.919 -5.803 1.00 2.46 H new ATOM 0 HG13 ILE A 24 -31.002 -55.995 -5.870 1.00 2.46 H new ATOM 0 HG21 ILE A 24 -29.836 -55.721 -8.082 1.00 2.46 H new ATOM 0 HG22 ILE A 24 -30.241 -56.803 -9.436 1.00 2.46 H new ATOM 0 HG23 ILE A 24 -31.339 -55.471 -9.002 1.00 2.46 H new ATOM 0 HD11 ILE A 24 -32.962 -54.498 -5.824 1.00 2.44 H new ATOM 0 HD12 ILE A 24 -32.093 -54.321 -7.368 1.00 2.44 H new ATOM 0 HD13 ILE A 24 -33.604 -55.259 -7.300 1.00 2.44 H new ATOM 418 N ALA A 25 -31.577 -59.867 -9.476 1.00 2.23 N ATOM 419 CA ALA A 25 -31.202 -60.655 -10.676 1.00 2.86 C ATOM 420 C ALA A 25 -32.306 -60.988 -11.581 1.00 2.04 C ATOM 421 O ALA A 25 -32.283 -60.862 -12.819 1.00 1.52 O ATOM 422 CB ALA A 25 -30.495 -61.923 -10.192 1.00 2.67 C ATOM 0 H ALA A 25 -31.399 -60.354 -8.597 1.00 2.23 H new ATOM 0 HA ALA A 25 -30.551 -60.027 -11.284 1.00 2.86 H new ATOM 0 HB1 ALA A 25 -30.204 -62.528 -11.051 1.00 2.67 H new ATOM 0 HB2 ALA A 25 -29.606 -61.650 -9.623 1.00 2.67 H new ATOM 0 HB3 ALA A 25 -31.170 -62.496 -9.556 1.00 2.67 H new ATOM 428 N ILE A 26 -33.527 -61.466 -11.065 1.00 2.23 N ATOM 429 CA ILE A 26 -34.738 -61.645 -11.835 1.00 2.86 C ATOM 430 C ILE A 26 -35.229 -60.401 -12.464 1.00 2.04 C ATOM 431 O ILE A 26 -35.676 -60.415 -13.575 1.00 1.52 O ATOM 432 CB ILE A 26 -35.715 -62.383 -10.981 1.00 2.67 C ATOM 433 CG1 ILE A 26 -35.174 -63.772 -10.635 1.00 2.46 C ATOM 434 CG2 ILE A 26 -37.111 -62.397 -11.610 1.00 2.46 C ATOM 435 CD1 ILE A 26 -36.009 -64.659 -9.740 1.00 2.44 C ATOM 0 H ILE A 26 -33.639 -61.725 -10.085 1.00 2.23 H new ATOM 0 HA ILE A 26 -34.544 -62.257 -12.716 1.00 2.86 H new ATOM 0 HB ILE A 26 -35.835 -61.855 -10.035 1.00 2.67 H new ATOM 0 HG12 ILE A 26 -35.005 -64.306 -11.570 1.00 2.46 H new ATOM 0 HG13 ILE A 26 -34.201 -63.642 -10.162 1.00 2.46 H new ATOM 0 HG21 ILE A 26 -37.797 -62.943 -10.962 1.00 2.46 H new ATOM 0 HG22 ILE A 26 -37.465 -61.373 -11.733 1.00 2.46 H new ATOM 0 HG23 ILE A 26 -37.067 -62.885 -12.584 1.00 2.46 H new ATOM 0 HD11 ILE A 26 -35.495 -65.608 -9.586 1.00 2.44 H new ATOM 0 HD12 ILE A 26 -36.159 -64.168 -8.779 1.00 2.44 H new ATOM 0 HD13 ILE A 26 -36.976 -64.842 -10.209 1.00 2.44 H new ATOM 447 N ILE A 27 -35.159 -59.246 -11.767 1.00 2.23 N ATOM 448 CA ILE A 27 -35.570 -57.941 -12.270 1.00 2.86 C ATOM 449 C ILE A 27 -34.631 -57.534 -13.424 1.00 2.04 C ATOM 450 O ILE A 27 -35.099 -57.131 -14.479 1.00 1.52 O ATOM 451 CB ILE A 27 -35.687 -56.908 -11.119 1.00 2.67 C ATOM 452 CG1 ILE A 27 -37.050 -57.068 -10.403 1.00 2.46 C ATOM 453 CG2 ILE A 27 -35.556 -55.459 -11.666 1.00 2.46 C ATOM 454 CD1 ILE A 27 -38.421 -56.982 -11.194 1.00 2.44 C ATOM 0 H ILE A 27 -34.803 -59.208 -10.812 1.00 2.23 H new ATOM 0 HA ILE A 27 -36.576 -57.984 -12.688 1.00 2.86 H new ATOM 0 HB ILE A 27 -34.879 -57.091 -10.411 1.00 2.67 H new ATOM 0 HG12 ILE A 27 -37.033 -58.037 -9.905 1.00 2.46 H new ATOM 0 HG13 ILE A 27 -37.088 -56.309 -9.622 1.00 2.46 H new ATOM 0 HG21 ILE A 27 -35.641 -54.750 -10.842 1.00 2.46 H new ATOM 0 HG22 ILE A 27 -34.587 -55.339 -12.150 1.00 2.46 H new ATOM 0 HG23 ILE A 27 -36.349 -55.270 -12.390 1.00 2.46 H new ATOM 0 HD11 ILE A 27 -39.250 -57.121 -10.501 1.00 2.44 H new ATOM 0 HD12 ILE A 27 -38.506 -56.005 -11.670 1.00 2.44 H new ATOM 0 HD13 ILE A 27 -38.451 -57.760 -11.956 1.00 2.44 H new ATOM 466 N LEU A 28 -33.271 -57.691 -13.326 1.00 2.23 N ATOM 467 CA LEU A 28 -32.343 -57.408 -14.385 1.00 2.86 C ATOM 468 C LEU A 28 -32.538 -58.339 -15.547 1.00 2.04 C ATOM 469 O LEU A 28 -32.326 -57.930 -16.660 1.00 1.52 O ATOM 470 CB LEU A 28 -30.894 -57.546 -13.760 1.00 2.67 C ATOM 471 CG LEU A 28 -30.450 -56.462 -12.788 1.00 2.46 C ATOM 472 CD1 LEU A 28 -29.114 -56.761 -12.192 1.00 2.44 C ATOM 473 CD2 LEU A 28 -30.260 -55.326 -13.724 1.00 2.44 C ATOM 0 H LEU A 28 -32.818 -58.027 -12.476 1.00 2.23 H new ATOM 0 HA LEU A 28 -32.497 -56.405 -14.782 1.00 2.86 H new ATOM 0 HB2 LEU A 28 -30.838 -58.505 -13.245 1.00 2.67 H new ATOM 0 HB3 LEU A 28 -30.175 -57.581 -14.578 1.00 2.67 H new ATOM 0 HG LEU A 28 -31.145 -56.322 -11.960 1.00 2.46 H new ATOM 0 HD11 LEU A 28 -28.835 -55.962 -11.505 1.00 2.44 H new ATOM 0 HD12 LEU A 28 -29.160 -57.706 -11.651 1.00 2.44 H new ATOM 0 HD13 LEU A 28 -28.370 -56.833 -12.985 1.00 2.44 H new ATOM 0 HD21 LEU A 28 -29.933 -54.447 -13.168 1.00 2.44 H new ATOM 0 HD22 LEU A 28 -29.505 -55.588 -14.466 1.00 2.44 H new ATOM 0 HD23 LEU A 28 -31.202 -55.107 -14.227 1.00 2.44 H new ATOM 485 N GLU A 29 -33.048 -59.596 -15.322 1.00 2.23 N ATOM 486 CA GLU A 29 -33.361 -60.418 -16.508 1.00 2.86 C ATOM 487 C GLU A 29 -34.680 -59.977 -17.124 1.00 2.04 C ATOM 488 O GLU A 29 -34.693 -59.738 -18.345 1.00 1.52 O ATOM 489 CB GLU A 29 -33.294 -61.966 -16.240 1.00 2.67 C ATOM 490 CG GLU A 29 -33.551 -62.711 -17.545 1.00 2.77 C ATOM 491 CD GLU A 29 -33.500 -64.177 -17.467 1.00 1.98 C ATOM 492 OE1 GLU A 29 -34.499 -64.822 -17.038 1.00 1.40 O ATOM 493 OE2 GLU A 29 -32.435 -64.779 -17.794 1.00 1.40 O1- ATOM 0 H GLU A 29 -33.232 -60.019 -14.412 1.00 2.23 H new ATOM 0 HA GLU A 29 -32.573 -60.241 -17.240 1.00 2.86 H new ATOM 0 HB2 GLU A 29 -32.317 -62.236 -15.839 1.00 2.67 H new ATOM 0 HB3 GLU A 29 -34.035 -62.250 -15.493 1.00 2.67 H new ATOM 0 HG2 GLU A 29 -34.532 -62.420 -17.920 1.00 2.77 H new ATOM 0 HG3 GLU A 29 -32.818 -62.380 -18.281 1.00 2.77 H new ATOM 500 N ASN A 30 -35.785 -59.564 -16.422 1.00 2.23 N ATOM 501 CA ASN A 30 -36.870 -59.079 -17.186 1.00 2.86 C ATOM 502 C ASN A 30 -36.699 -57.794 -18.020 1.00 2.04 C ATOM 503 O ASN A 30 -37.284 -57.629 -19.089 1.00 1.52 O ATOM 504 CB ASN A 30 -38.089 -58.834 -16.268 1.00 2.67 C ATOM 505 CG ASN A 30 -38.400 -60.151 -15.565 1.00 1.98 C ATOM 506 OD1 ASN A 30 -37.928 -61.251 -15.861 1.00 1.42 O ATOM 507 ND2 ASN A 30 -39.553 -60.002 -14.785 1.00 2.15 N ATOM 0 H ASN A 30 -35.901 -59.572 -15.409 1.00 2.23 H new ATOM 0 HA ASN A 30 -36.981 -59.879 -17.918 1.00 2.86 H new ATOM 0 HB2 ASN A 30 -37.871 -58.052 -15.540 1.00 2.67 H new ATOM 0 HB3 ASN A 30 -38.947 -58.497 -16.850 1.00 2.67 H new ATOM 0 HD21 ASN A 30 -40.042 -60.826 -14.435 1.00 2.15 H new ATOM 0 HD22 ASN A 30 -39.904 -59.070 -14.567 1.00 2.15 H new ATOM 514 N PHE A 31 -35.875 -56.906 -17.481 1.00 2.23 N ATOM 515 CA PHE A 31 -35.586 -55.577 -18.071 1.00 2.86 C ATOM 516 C PHE A 31 -34.913 -55.702 -19.384 1.00 2.04 C ATOM 517 O PHE A 31 -35.281 -54.981 -20.368 1.00 1.52 O ATOM 518 CB PHE A 31 -34.912 -54.764 -17.003 1.00 2.67 C ATOM 519 CG PHE A 31 -34.774 -53.297 -17.307 1.00 2.46 C ATOM 520 CD1 PHE A 31 -35.739 -52.333 -16.886 1.00 2.00 C ATOM 521 CD2 PHE A 31 -33.635 -52.838 -17.921 1.00 2.00 C ATOM 522 CE1 PHE A 31 -35.481 -50.966 -16.962 1.00 2.00 C ATOM 523 CE2 PHE A 31 -33.336 -51.519 -18.097 1.00 2.00 C ATOM 524 CZ PHE A 31 -34.237 -50.583 -17.619 1.00 2.00 C ATOM 0 H PHE A 31 -35.374 -57.077 -16.609 1.00 2.23 H new ATOM 0 HA PHE A 31 -36.481 -55.022 -18.352 1.00 2.86 H new ATOM 0 HB2 PHE A 31 -35.473 -54.875 -16.075 1.00 2.67 H new ATOM 0 HB3 PHE A 31 -33.919 -55.177 -16.826 1.00 2.67 H new ATOM 0 HD1 PHE A 31 -36.690 -52.671 -16.500 1.00 2.00 H new ATOM 0 HD2 PHE A 31 -32.930 -53.569 -18.289 1.00 2.00 H new ATOM 0 HE1 PHE A 31 -36.163 -50.233 -16.558 1.00 2.00 H new ATOM 0 HE2 PHE A 31 -32.426 -51.215 -18.593 1.00 2.00 H new ATOM 0 HZ PHE A 31 -34.011 -49.534 -17.737 1.00 2.00 H new ATOM 534 N LYS A 32 -34.003 -56.723 -19.403 1.00 2.23 N ATOM 535 CA LYS A 32 -33.230 -57.133 -20.559 1.00 2.86 C ATOM 536 C LYS A 32 -34.191 -57.765 -21.587 1.00 2.04 C ATOM 537 O LYS A 32 -34.073 -57.540 -22.780 1.00 1.52 O ATOM 538 CB LYS A 32 -32.105 -58.070 -20.031 1.00 2.67 C ATOM 539 CG LYS A 32 -31.331 -58.851 -21.208 1.00 2.46 C ATOM 540 CD LYS A 32 -30.770 -57.971 -22.290 1.00 2.44 C ATOM 541 CE LYS A 32 -30.131 -58.866 -23.409 1.00 2.80 C ATOM 542 NZ LYS A 32 -29.643 -57.933 -24.498 1.00 2.13 N1+ ATOM 0 H LYS A 32 -33.801 -57.284 -18.575 1.00 2.23 H new ATOM 0 HA LYS A 32 -32.743 -56.314 -21.088 1.00 2.86 H new ATOM 0 HB2 LYS A 32 -31.387 -57.481 -19.461 1.00 2.67 H new ATOM 0 HB3 LYS A 32 -32.538 -58.797 -19.344 1.00 2.67 H new ATOM 0 HG2 LYS A 32 -30.516 -59.425 -20.768 1.00 2.46 H new ATOM 0 HG3 LYS A 32 -32.017 -59.567 -21.661 1.00 2.46 H new ATOM 0 HD2 LYS A 32 -31.558 -57.348 -22.713 1.00 2.44 H new ATOM 0 HD3 LYS A 32 -30.020 -57.298 -21.875 1.00 2.44 H new ATOM 0 HE2 LYS A 32 -29.306 -59.455 -23.008 1.00 2.80 H new ATOM 0 HE3 LYS A 32 -30.863 -59.570 -23.804 1.00 2.80 H new ATOM 0 HZ1 LYS A 32 -29.210 -58.489 -25.263 1.00 2.13 H new ATOM 0 HZ2 LYS A 32 -30.446 -57.390 -24.876 1.00 2.13 H new ATOM 0 HZ3 LYS A 32 -28.937 -57.278 -24.104 1.00 2.13 H new ATOM 556 N LYS A 33 -35.100 -58.638 -21.137 1.00 2.23 N ATOM 557 CA LYS A 33 -36.147 -59.372 -21.879 1.00 2.86 C ATOM 558 C LYS A 33 -37.207 -58.465 -22.535 1.00 2.04 C ATOM 559 O LYS A 33 -37.488 -58.655 -23.707 1.00 1.52 O ATOM 560 CB LYS A 33 -36.953 -60.311 -20.970 1.00 2.67 C ATOM 561 CG LYS A 33 -36.232 -61.615 -20.581 1.00 2.46 C ATOM 562 CD LYS A 33 -36.913 -62.425 -19.449 1.00 2.44 C ATOM 563 CE LYS A 33 -36.597 -63.918 -19.436 1.00 2.80 C ATOM 564 NZ LYS A 33 -37.215 -64.571 -18.273 1.00 2.13 N1+ ATOM 0 H LYS A 33 -35.128 -58.876 -20.146 1.00 2.23 H new ATOM 0 HA LYS A 33 -35.575 -59.908 -22.636 1.00 2.86 H new ATOM 0 HB2 LYS A 33 -37.216 -59.773 -20.059 1.00 2.67 H new ATOM 0 HB3 LYS A 33 -37.887 -60.565 -21.472 1.00 2.67 H new ATOM 0 HG2 LYS A 33 -36.155 -62.248 -21.465 1.00 2.46 H new ATOM 0 HG3 LYS A 33 -35.215 -61.373 -20.273 1.00 2.46 H new ATOM 0 HD2 LYS A 33 -36.616 -61.999 -18.491 1.00 2.44 H new ATOM 0 HD3 LYS A 33 -37.992 -62.299 -19.533 1.00 2.44 H new ATOM 0 HE2 LYS A 33 -36.961 -64.380 -20.354 1.00 2.80 H new ATOM 0 HE3 LYS A 33 -35.517 -64.066 -19.411 1.00 2.80 H new ATOM 0 HZ1 LYS A 33 -36.480 -64.809 -17.577 1.00 2.13 H new ATOM 0 HZ2 LYS A 33 -37.906 -63.926 -17.840 1.00 2.13 H new ATOM 0 HZ3 LYS A 33 -37.697 -65.441 -18.578 1.00 2.13 H new ATOM 578 N LYS A 34 -37.710 -57.524 -21.801 1.00 2.23 N ATOM 579 CA LYS A 34 -38.713 -56.590 -22.338 1.00 2.86 C ATOM 580 C LYS A 34 -38.110 -55.361 -23.030 1.00 2.04 C ATOM 581 O LYS A 34 -38.751 -54.457 -23.521 1.00 1.52 O ATOM 582 CB LYS A 34 -39.653 -56.099 -21.251 1.00 2.67 C ATOM 583 CG LYS A 34 -40.368 -57.286 -20.570 1.00 2.46 C ATOM 584 CD LYS A 34 -41.414 -56.746 -19.575 1.00 2.44 C ATOM 585 CE LYS A 34 -42.225 -57.736 -18.702 1.00 2.80 C ATOM 586 NZ LYS A 34 -42.775 -56.971 -17.585 1.00 2.13 N1+ ATOM 0 H LYS A 34 -37.459 -57.362 -20.826 1.00 2.23 H new ATOM 0 HA LYS A 34 -39.254 -57.171 -23.085 1.00 2.86 H new ATOM 0 HB2 LYS A 34 -39.093 -55.531 -20.508 1.00 2.67 H new ATOM 0 HB3 LYS A 34 -40.391 -55.421 -21.680 1.00 2.67 H new ATOM 0 HG2 LYS A 34 -40.851 -57.913 -21.319 1.00 2.46 H new ATOM 0 HG3 LYS A 34 -39.643 -57.912 -20.050 1.00 2.46 H new ATOM 0 HD2 LYS A 34 -40.899 -56.063 -18.900 1.00 2.44 H new ATOM 0 HD3 LYS A 34 -42.129 -56.152 -20.144 1.00 2.44 H new ATOM 0 HE2 LYS A 34 -43.023 -58.198 -19.283 1.00 2.80 H new ATOM 0 HE3 LYS A 34 -41.587 -58.542 -18.340 1.00 2.80 H new ATOM 0 HZ1 LYS A 34 -43.329 -57.602 -16.972 1.00 2.13 H new ATOM 0 HZ2 LYS A 34 -41.998 -56.550 -17.037 1.00 2.13 H new ATOM 0 HZ3 LYS A 34 -43.390 -56.216 -17.951 1.00 2.13 H new HETATM 600 N NH2 A 35 -36.765 -55.297 -23.069 1.00 2.23 N TER 603 NH2 A 35