USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=11 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+ 177:sc=-0.00498 (180deg=-0.0133) 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+ -176:sc= 0 (180deg=-0.0172) USER MOD Single : A 6 CYS SG : rot 66:sc= 0.46 USER MOD Single : A 9 CYS SG : rot 62:sc= 0.387 USER MOD Single : A 10 SER OG : rot 80:sc= 0.359 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 72:sc= 0.372 USER MOD Single : A 21 ASN : amide:sc= -0.03 K(o=-0.03,f=-0.98) USER MOD Single : A 22 MET CE :methyl -133:sc= 0 (180deg=-0.103) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.561 K(o=0.56,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -120:sc= 1.24 (180deg=-0.534) USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= -0.047 (180deg=-0.612) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -32.532 -62.323 26.634 1.00 2.23 N ATOM 2 CA LYS A 1 -31.104 -61.835 26.621 1.00 2.86 C ATOM 3 C LYS A 1 -30.580 -61.374 25.337 1.00 2.04 C ATOM 4 O LYS A 1 -30.993 -61.810 24.250 1.00 1.52 O ATOM 5 CB LYS A 1 -30.178 -62.940 27.350 1.00 2.67 C ATOM 6 CG LYS A 1 -30.128 -64.312 26.542 1.00 2.46 C ATOM 7 CD LYS A 1 -29.377 -65.477 27.152 1.00 2.44 C ATOM 8 CE LYS A 1 -27.897 -65.200 27.104 1.00 2.80 C ATOM 9 NZ LYS A 1 -27.118 -66.476 27.223 1.00 2.13 N1+ ATOM 0 H1 LYS A 1 -32.772 -62.669 27.585 1.00 2.23 H new ATOM 0 H2 LYS A 1 -33.168 -61.541 26.380 1.00 2.23 H new ATOM 0 H3 LYS A 1 -32.641 -63.096 25.946 1.00 2.23 H new ATOM 0 HA LYS A 1 -31.084 -60.903 27.185 1.00 2.86 H new ATOM 0 HB2 LYS A 1 -29.167 -62.548 27.460 1.00 2.67 H new ATOM 0 HB3 LYS A 1 -30.559 -63.126 28.354 1.00 2.67 H new ATOM 0 HG2 LYS A 1 -31.155 -64.633 26.368 1.00 2.46 H new ATOM 0 HG3 LYS A 1 -29.688 -64.107 25.566 1.00 2.46 H new ATOM 0 HD2 LYS A 1 -29.696 -65.630 28.183 1.00 2.44 H new ATOM 0 HD3 LYS A 1 -29.604 -66.394 26.609 1.00 2.44 H new ATOM 0 HE2 LYS A 1 -27.645 -64.700 26.169 1.00 2.80 H new ATOM 0 HE3 LYS A 1 -27.622 -64.523 27.912 1.00 2.80 H new ATOM 0 HZ1 LYS A 1 -26.100 -66.266 27.188 1.00 2.13 H new ATOM 0 HZ2 LYS A 1 -27.345 -66.938 28.126 1.00 2.13 H new ATOM 0 HZ3 LYS A 1 -27.368 -67.110 26.437 1.00 2.13 H new ATOM 25 N LYS A 2 -29.498 -60.557 25.389 1.00 2.23 N ATOM 26 CA LYS A 2 -28.977 -59.851 24.213 1.00 2.86 C ATOM 27 C LYS A 2 -27.598 -60.459 23.839 1.00 2.04 C ATOM 28 O LYS A 2 -26.816 -59.796 23.118 1.00 1.52 O ATOM 29 CB LYS A 2 -28.766 -58.317 24.418 1.00 2.67 C ATOM 30 CG LYS A 2 -30.072 -57.573 24.766 1.00 2.46 C ATOM 31 CD LYS A 2 -29.720 -56.074 25.088 1.00 2.44 C ATOM 32 CE LYS A 2 -29.322 -55.231 23.842 1.00 2.80 C ATOM 33 NZ LYS A 2 -29.039 -53.854 24.287 1.00 2.13 N1+ ATOM 0 H LYS A 2 -28.973 -60.376 26.244 1.00 2.23 H new ATOM 0 HA LYS A 2 -29.729 -59.974 23.434 1.00 2.86 H new ATOM 0 HB2 LYS A 2 -28.040 -58.159 25.215 1.00 2.67 H new ATOM 0 HB3 LYS A 2 -28.341 -57.889 23.510 1.00 2.67 H new ATOM 0 HG2 LYS A 2 -30.773 -57.627 23.933 1.00 2.46 H new ATOM 0 HG3 LYS A 2 -30.558 -58.041 25.622 1.00 2.46 H new ATOM 0 HD2 LYS A 2 -30.578 -55.606 25.570 1.00 2.44 H new ATOM 0 HD3 LYS A 2 -28.900 -56.051 25.805 1.00 2.44 H new ATOM 0 HE2 LYS A 2 -28.446 -55.661 23.357 1.00 2.80 H new ATOM 0 HE3 LYS A 2 -30.127 -55.235 23.108 1.00 2.80 H new ATOM 0 HZ1 LYS A 2 -28.770 -53.273 23.468 1.00 2.13 H new ATOM 0 HZ2 LYS A 2 -29.888 -53.452 24.733 1.00 2.13 H new ATOM 0 HZ3 LYS A 2 -28.259 -53.865 24.974 1.00 2.13 H new ATOM 47 N LYS A 3 -27.304 -61.682 24.309 1.00 2.23 N ATOM 48 CA LYS A 3 -25.922 -62.177 24.347 1.00 2.86 C ATOM 49 C LYS A 3 -25.773 -63.381 23.386 1.00 2.04 C ATOM 50 O LYS A 3 -26.258 -64.461 23.628 1.00 1.52 O ATOM 51 CB LYS A 3 -25.439 -62.619 25.717 1.00 2.67 C ATOM 52 CG LYS A 3 -25.506 -61.478 26.751 1.00 2.46 C ATOM 53 CD LYS A 3 -24.964 -61.944 28.153 1.00 2.44 C ATOM 54 CE LYS A 3 -25.487 -61.135 29.338 1.00 2.80 C ATOM 55 NZ LYS A 3 -25.141 -59.688 29.158 1.00 2.13 N1+ ATOM 0 H LYS A 3 -27.998 -62.339 24.664 1.00 2.23 H new ATOM 0 HA LYS A 3 -25.309 -61.326 24.050 1.00 2.86 H new ATOM 0 HB2 LYS A 3 -26.045 -63.456 26.062 1.00 2.67 H new ATOM 0 HB3 LYS A 3 -24.413 -62.979 25.641 1.00 2.67 H new ATOM 0 HG2 LYS A 3 -24.922 -60.629 26.397 1.00 2.46 H new ATOM 0 HG3 LYS A 3 -26.536 -61.136 26.852 1.00 2.46 H new ATOM 0 HD2 LYS A 3 -25.228 -62.991 28.300 1.00 2.44 H new ATOM 0 HD3 LYS A 3 -23.875 -61.888 28.144 1.00 2.44 H new ATOM 0 HE2 LYS A 3 -26.567 -61.252 29.421 1.00 2.80 H new ATOM 0 HE3 LYS A 3 -25.053 -61.509 30.265 1.00 2.80 H new ATOM 0 HZ1 LYS A 3 -25.439 -59.153 29.998 1.00 2.13 H new ATOM 0 HZ2 LYS A 3 -24.113 -59.590 29.032 1.00 2.13 H new ATOM 0 HZ3 LYS A 3 -25.630 -59.316 28.319 1.00 2.13 H new ATOM 69 N GLY A 4 -25.085 -63.203 22.267 1.00 2.23 N ATOM 70 CA GLY A 4 -24.835 -64.158 21.165 1.00 2.38 C ATOM 71 C GLY A 4 -25.957 -64.271 20.124 1.00 2.04 C ATOM 72 O GLY A 4 -25.868 -65.056 19.188 1.00 1.52 O ATOM 0 H GLY A 4 -24.640 -62.305 22.077 1.00 2.23 H new ATOM 0 HA2 GLY A 4 -23.917 -63.866 20.655 1.00 2.38 H new ATOM 0 HA3 GLY A 4 -24.660 -65.144 21.594 1.00 2.38 H new ATOM 76 N ILE A 5 -26.999 -63.405 20.210 1.00 2.23 N ATOM 77 CA ILE A 5 -28.110 -63.433 19.257 1.00 2.86 C ATOM 78 C ILE A 5 -27.898 -62.619 17.954 1.00 2.04 C ATOM 79 O ILE A 5 -28.698 -62.767 16.983 1.00 1.52 O ATOM 80 CB ILE A 5 -29.392 -62.915 19.879 1.00 2.67 C ATOM 81 CG1 ILE A 5 -29.178 -61.399 20.273 1.00 2.46 C ATOM 82 CG2 ILE A 5 -29.782 -63.806 21.043 1.00 2.46 C ATOM 83 CD1 ILE A 5 -30.392 -60.588 20.527 1.00 2.44 C ATOM 0 H ILE A 5 -27.082 -62.687 20.930 1.00 2.23 H new ATOM 0 HA ILE A 5 -28.170 -64.489 18.993 1.00 2.86 H new ATOM 0 HB ILE A 5 -30.227 -62.949 19.179 1.00 2.67 H new ATOM 0 HG12 ILE A 5 -28.557 -61.367 21.168 1.00 2.46 H new ATOM 0 HG13 ILE A 5 -28.612 -60.919 19.475 1.00 2.46 H new ATOM 0 HG21 ILE A 5 -30.704 -63.436 21.492 1.00 2.46 H new ATOM 0 HG22 ILE A 5 -29.936 -64.824 20.686 1.00 2.46 H new ATOM 0 HG23 ILE A 5 -28.987 -63.799 21.789 1.00 2.46 H new ATOM 0 HD11 ILE A 5 -30.102 -59.570 20.787 1.00 2.44 H new ATOM 0 HD12 ILE A 5 -31.012 -60.571 19.631 1.00 2.44 H new ATOM 0 HD13 ILE A 5 -30.956 -61.026 21.350 1.00 2.44 H new ATOM 95 N CYS A 6 -26.830 -61.870 17.915 1.00 2.23 N ATOM 96 CA CYS A 6 -26.322 -61.079 16.788 1.00 2.86 C ATOM 97 C CYS A 6 -26.116 -61.933 15.518 1.00 2.04 C ATOM 98 O CYS A 6 -26.566 -61.456 14.487 1.00 1.52 O ATOM 99 CB CYS A 6 -24.939 -60.408 17.103 1.00 2.67 C ATOM 100 SG CYS A 6 -23.831 -61.504 18.071 1.00 2.00 S ATOM 0 H CYS A 6 -26.229 -61.778 18.734 1.00 2.23 H new ATOM 0 HA CYS A 6 -27.086 -60.320 16.621 1.00 2.86 H new ATOM 0 HB2 CYS A 6 -24.449 -60.136 16.168 1.00 2.67 H new ATOM 0 HB3 CYS A 6 -25.105 -59.484 17.657 1.00 2.67 H new ATOM 0 HG CYS A 6 -23.510 -62.539 17.353 1.00 2.00 H new ATOM 106 N PHE A 7 -25.488 -63.055 15.606 1.00 2.23 N ATOM 107 CA PHE A 7 -25.388 -63.942 14.460 1.00 2.86 C ATOM 108 C PHE A 7 -26.788 -64.383 13.986 1.00 2.04 C ATOM 109 O PHE A 7 -27.200 -64.119 12.815 1.00 1.52 O ATOM 110 CB PHE A 7 -24.516 -65.180 14.911 1.00 2.67 C ATOM 111 CG PHE A 7 -23.160 -64.693 15.561 1.00 2.46 C ATOM 112 CD1 PHE A 7 -22.204 -64.113 14.728 1.00 2.00 C ATOM 113 CD2 PHE A 7 -22.810 -64.831 16.930 1.00 2.00 C ATOM 114 CE1 PHE A 7 -20.906 -63.801 15.247 1.00 2.00 C ATOM 115 CE2 PHE A 7 -21.564 -64.527 17.461 1.00 2.00 C ATOM 116 CZ PHE A 7 -20.639 -63.946 16.568 1.00 2.00 C ATOM 0 H PHE A 7 -25.031 -63.395 16.452 1.00 2.23 H new ATOM 0 HA PHE A 7 -24.920 -63.437 13.615 1.00 2.86 H new ATOM 0 HB2 PHE A 7 -25.073 -65.784 15.627 1.00 2.67 H new ATOM 0 HB3 PHE A 7 -24.306 -65.817 14.052 1.00 2.67 H new ATOM 0 HD1 PHE A 7 -22.441 -63.900 13.696 1.00 2.00 H new ATOM 0 HD2 PHE A 7 -23.567 -65.199 17.607 1.00 2.00 H new ATOM 0 HE1 PHE A 7 -20.134 -63.447 14.580 1.00 2.00 H new ATOM 0 HE2 PHE A 7 -21.318 -64.723 18.494 1.00 2.00 H new ATOM 0 HZ PHE A 7 -19.688 -63.606 16.949 1.00 2.00 H new ATOM 126 N PHE A 8 -27.656 -64.953 14.873 1.00 2.23 N ATOM 127 CA PHE A 8 -28.995 -65.341 14.498 1.00 2.86 C ATOM 128 C PHE A 8 -29.933 -64.220 13.940 1.00 2.04 C ATOM 129 O PHE A 8 -30.735 -64.475 12.997 1.00 1.52 O ATOM 130 CB PHE A 8 -29.727 -66.153 15.582 1.00 2.67 C ATOM 131 CG PHE A 8 -28.943 -67.407 15.831 1.00 2.46 C ATOM 132 CD1 PHE A 8 -29.013 -68.522 15.012 1.00 2.00 C ATOM 133 CD2 PHE A 8 -28.093 -67.451 16.920 1.00 2.00 C ATOM 134 CE1 PHE A 8 -28.130 -69.572 15.120 1.00 2.00 C ATOM 135 CE2 PHE A 8 -27.161 -68.512 17.107 1.00 2.00 C ATOM 136 CZ PHE A 8 -27.116 -69.489 16.059 1.00 2.00 C ATOM 0 H PHE A 8 -27.424 -65.142 15.848 1.00 2.23 H new ATOM 0 HA PHE A 8 -28.787 -65.985 13.644 1.00 2.86 H new ATOM 0 HB2 PHE A 8 -29.816 -65.571 16.499 1.00 2.67 H new ATOM 0 HB3 PHE A 8 -30.739 -66.395 15.258 1.00 2.67 H new ATOM 0 HD1 PHE A 8 -29.788 -68.569 14.262 1.00 2.00 H new ATOM 0 HD2 PHE A 8 -28.137 -66.657 17.651 1.00 2.00 H new ATOM 0 HE1 PHE A 8 -28.226 -70.441 14.486 1.00 2.00 H new ATOM 0 HE2 PHE A 8 -26.530 -68.576 17.981 1.00 2.00 H new ATOM 0 HZ PHE A 8 -26.280 -70.170 16.001 1.00 2.00 H new ATOM 146 N CYS A 9 -29.962 -62.982 14.523 1.00 2.23 N ATOM 147 CA CYS A 9 -30.733 -61.827 14.056 1.00 2.86 C ATOM 148 C CYS A 9 -30.232 -61.292 12.739 1.00 2.04 C ATOM 149 O CYS A 9 -31.040 -60.937 11.820 1.00 1.52 O ATOM 150 CB CYS A 9 -30.775 -60.576 15.001 1.00 2.67 C ATOM 151 SG CYS A 9 -31.287 -60.899 16.712 1.00 2.00 S ATOM 0 H CYS A 9 -29.422 -62.773 15.362 1.00 2.23 H new ATOM 0 HA CYS A 9 -31.730 -62.264 13.999 1.00 2.86 H new ATOM 0 HB2 CYS A 9 -29.784 -60.122 15.017 1.00 2.67 H new ATOM 0 HB3 CYS A 9 -31.455 -59.841 14.570 1.00 2.67 H new ATOM 0 HG CYS A 9 -30.435 -61.703 17.276 1.00 2.00 H new ATOM 157 N SER A 10 -28.908 -61.355 12.588 1.00 2.23 N ATOM 158 CA SER A 10 -28.288 -61.048 11.292 1.00 2.86 C ATOM 159 C SER A 10 -28.689 -62.170 10.279 1.00 2.04 C ATOM 160 O SER A 10 -28.730 -61.915 9.071 1.00 1.52 O ATOM 161 CB SER A 10 -26.709 -61.074 11.280 1.00 2.67 C ATOM 162 OG SER A 10 -26.140 -59.965 11.980 1.00 1.64 O ATOM 0 H SER A 10 -28.254 -61.610 13.328 1.00 2.23 H new ATOM 0 HA SER A 10 -28.631 -60.042 11.050 1.00 2.86 H new ATOM 0 HB2 SER A 10 -26.360 -62.003 11.732 1.00 2.67 H new ATOM 0 HB3 SER A 10 -26.356 -61.069 10.249 1.00 2.67 H new ATOM 0 HG SER A 10 -26.162 -60.141 12.944 1.00 1.64 H new ATOM 168 N TYR A 11 -28.982 -63.466 10.658 1.00 2.23 N ATOM 169 CA TYR A 11 -29.398 -64.532 9.771 1.00 2.86 C ATOM 170 C TYR A 11 -30.786 -64.241 9.092 1.00 2.04 C ATOM 171 O TYR A 11 -30.987 -64.392 7.840 1.00 1.52 O ATOM 172 CB TYR A 11 -29.262 -65.980 10.381 1.00 2.67 C ATOM 173 CG TYR A 11 -29.312 -67.062 9.357 1.00 2.46 C ATOM 174 CD1 TYR A 11 -30.512 -67.773 9.042 1.00 2.00 C ATOM 175 CD2 TYR A 11 -28.156 -67.291 8.620 1.00 2.00 C ATOM 176 CE1 TYR A 11 -30.481 -68.671 7.993 1.00 2.00 C ATOM 177 CE2 TYR A 11 -28.120 -68.167 7.554 1.00 2.00 C ATOM 178 CZ TYR A 11 -29.325 -68.790 7.208 1.00 2.00 C ATOM 179 OH TYR A 11 -29.351 -69.525 5.974 1.00 1.85 O ATOM 0 H TYR A 11 -28.922 -63.769 11.630 1.00 2.23 H new ATOM 0 HA TYR A 11 -28.670 -64.537 8.960 1.00 2.86 H new ATOM 0 HB2 TYR A 11 -28.321 -66.049 10.926 1.00 2.67 H new ATOM 0 HB3 TYR A 11 -30.062 -66.138 11.105 1.00 2.67 H new ATOM 0 HD1 TYR A 11 -31.417 -67.612 9.609 1.00 2.00 H new ATOM 0 HD2 TYR A 11 -27.253 -66.764 8.891 1.00 2.00 H new ATOM 0 HE1 TYR A 11 -31.346 -69.281 7.778 1.00 2.00 H new ATOM 0 HE2 TYR A 11 -27.206 -68.362 7.013 1.00 2.00 H new ATOM 0 HH TYR A 11 -28.462 -69.503 5.561 1.00 1.85 H new ATOM 189 N ILE A 12 -31.717 -63.754 9.841 1.00 2.23 N ATOM 190 CA ILE A 12 -32.994 -63.163 9.470 1.00 2.86 C ATOM 191 C ILE A 12 -32.808 -62.033 8.440 1.00 2.04 C ATOM 192 O ILE A 12 -33.388 -62.035 7.338 1.00 1.52 O ATOM 193 CB ILE A 12 -33.909 -62.703 10.592 1.00 2.67 C ATOM 194 CG1 ILE A 12 -34.050 -63.786 11.680 1.00 2.46 C ATOM 195 CG2 ILE A 12 -35.288 -62.289 9.915 1.00 2.46 C ATOM 196 CD1 ILE A 12 -34.579 -63.335 13.070 1.00 2.44 C ATOM 0 H ILE A 12 -31.603 -63.753 10.855 1.00 2.23 H new ATOM 0 HA ILE A 12 -33.525 -64.009 9.034 1.00 2.86 H new ATOM 0 HB ILE A 12 -33.498 -61.843 11.121 1.00 2.67 H new ATOM 0 HG12 ILE A 12 -34.716 -64.561 11.301 1.00 2.46 H new ATOM 0 HG13 ILE A 12 -33.073 -64.248 11.824 1.00 2.46 H new ATOM 0 HG21 ILE A 12 -35.983 -61.950 10.683 1.00 2.46 H new ATOM 0 HG22 ILE A 12 -35.115 -61.484 9.201 1.00 2.46 H new ATOM 0 HG23 ILE A 12 -35.712 -63.149 9.397 1.00 2.46 H new ATOM 0 HD11 ILE A 12 -34.628 -64.195 13.737 1.00 2.44 H new ATOM 0 HD12 ILE A 12 -33.906 -62.588 13.490 1.00 2.44 H new ATOM 0 HD13 ILE A 12 -35.574 -62.905 12.958 1.00 2.44 H new ATOM 208 N ILE A 13 -31.884 -61.078 8.720 1.00 2.23 N ATOM 209 CA ILE A 13 -31.565 -59.991 7.820 1.00 2.86 C ATOM 210 C ILE A 13 -30.929 -60.389 6.524 1.00 2.04 C ATOM 211 O ILE A 13 -31.291 -59.945 5.412 1.00 1.52 O ATOM 212 CB ILE A 13 -30.571 -59.006 8.578 1.00 2.67 C ATOM 213 CG1 ILE A 13 -31.205 -58.423 9.915 1.00 2.46 C ATOM 214 CG2 ILE A 13 -30.227 -57.859 7.614 1.00 2.46 C ATOM 215 CD1 ILE A 13 -30.221 -57.623 10.871 1.00 2.44 C ATOM 0 H ILE A 13 -31.348 -61.060 9.588 1.00 2.23 H new ATOM 0 HA ILE A 13 -32.517 -59.533 7.552 1.00 2.86 H new ATOM 0 HB ILE A 13 -29.678 -59.558 8.871 1.00 2.67 H new ATOM 0 HG12 ILE A 13 -32.029 -57.763 9.643 1.00 2.46 H new ATOM 0 HG13 ILE A 13 -31.633 -59.251 10.480 1.00 2.46 H new ATOM 0 HG21 ILE A 13 -29.545 -57.164 8.104 1.00 2.46 H new ATOM 0 HG22 ILE A 13 -29.752 -58.265 6.721 1.00 2.46 H new ATOM 0 HG23 ILE A 13 -31.140 -57.334 7.333 1.00 2.46 H new ATOM 0 HD11 ILE A 13 -30.768 -57.276 11.748 1.00 2.44 H new ATOM 0 HD12 ILE A 13 -29.408 -58.277 11.186 1.00 2.44 H new ATOM 0 HD13 ILE A 13 -29.811 -56.766 10.336 1.00 2.44 H new ATOM 227 N ILE A 14 -29.948 -61.315 6.508 1.00 2.23 N ATOM 228 CA ILE A 14 -29.387 -61.868 5.307 1.00 2.86 C ATOM 229 C ILE A 14 -30.385 -62.636 4.457 1.00 2.04 C ATOM 230 O ILE A 14 -30.352 -62.544 3.220 1.00 1.52 O ATOM 231 CB ILE A 14 -28.034 -62.697 5.484 1.00 2.67 C ATOM 232 CG1 ILE A 14 -26.960 -61.825 6.218 1.00 2.46 C ATOM 233 CG2 ILE A 14 -27.480 -63.322 4.228 1.00 2.46 C ATOM 234 CD1 ILE A 14 -26.553 -60.641 5.320 1.00 2.44 C ATOM 0 H ILE A 14 -29.531 -61.692 7.359 1.00 2.23 H new ATOM 0 HA ILE A 14 -29.105 -60.967 4.761 1.00 2.86 H new ATOM 0 HB ILE A 14 -28.301 -63.556 6.100 1.00 2.67 H new ATOM 0 HG12 ILE A 14 -27.360 -61.457 7.163 1.00 2.46 H new ATOM 0 HG13 ILE A 14 -26.086 -62.431 6.456 1.00 2.46 H new ATOM 0 HG21 ILE A 14 -26.562 -63.860 4.464 1.00 2.46 H new ATOM 0 HG22 ILE A 14 -28.211 -64.016 3.814 1.00 2.46 H new ATOM 0 HG23 ILE A 14 -27.266 -62.542 3.497 1.00 2.46 H new ATOM 0 HD11 ILE A 14 -25.806 -60.036 5.833 1.00 2.44 H new ATOM 0 HD12 ILE A 14 -26.136 -61.019 4.387 1.00 2.44 H new ATOM 0 HD13 ILE A 14 -27.429 -60.030 5.104 1.00 2.44 H new ATOM 246 N SER A 15 -31.280 -63.432 5.075 1.00 2.23 N ATOM 247 CA SER A 15 -32.256 -64.181 4.270 1.00 2.86 C ATOM 248 C SER A 15 -33.171 -63.393 3.362 1.00 2.04 C ATOM 249 O SER A 15 -33.287 -63.618 2.131 1.00 1.52 O ATOM 250 CB SER A 15 -33.065 -65.145 5.102 1.00 2.67 C ATOM 251 OG SER A 15 -32.287 -66.146 5.759 1.00 1.64 O ATOM 0 H SER A 15 -31.346 -63.568 6.084 1.00 2.23 H new ATOM 0 HA SER A 15 -31.600 -64.719 3.586 1.00 2.86 H new ATOM 0 HB2 SER A 15 -33.621 -64.582 5.852 1.00 2.67 H new ATOM 0 HB3 SER A 15 -33.799 -65.634 4.461 1.00 2.67 H new ATOM 0 HG SER A 15 -31.779 -65.737 6.490 1.00 1.64 H new ATOM 257 N PHE A 16 -33.681 -62.311 3.913 1.00 2.23 N ATOM 258 CA PHE A 16 -34.363 -61.307 3.084 1.00 2.86 C ATOM 259 C PHE A 16 -33.437 -60.688 2.053 1.00 2.04 C ATOM 260 O PHE A 16 -33.683 -60.523 0.860 1.00 1.52 O ATOM 261 CB PHE A 16 -34.840 -60.165 3.969 1.00 2.67 C ATOM 262 CG PHE A 16 -36.050 -60.761 4.749 1.00 2.46 C ATOM 263 CD1 PHE A 16 -37.117 -61.324 4.105 1.00 2.00 C ATOM 264 CD2 PHE A 16 -35.946 -60.616 6.196 1.00 2.00 C ATOM 265 CE1 PHE A 16 -38.106 -61.909 4.872 1.00 2.00 C ATOM 266 CE2 PHE A 16 -36.930 -61.296 6.909 1.00 2.00 C ATOM 267 CZ PHE A 16 -37.984 -61.919 6.232 1.00 2.00 C ATOM 0 H PHE A 16 -33.644 -62.096 4.909 1.00 2.23 H new ATOM 0 HA PHE A 16 -35.183 -61.820 2.581 1.00 2.86 H new ATOM 0 HB2 PHE A 16 -34.054 -59.833 4.647 1.00 2.67 H new ATOM 0 HB3 PHE A 16 -35.136 -59.300 3.376 1.00 2.67 H new ATOM 0 HD1 PHE A 16 -37.185 -61.312 3.027 1.00 2.00 H new ATOM 0 HD2 PHE A 16 -35.173 -60.032 6.673 1.00 2.00 H new ATOM 0 HE1 PHE A 16 -38.969 -62.355 4.400 1.00 2.00 H new ATOM 0 HE2 PHE A 16 -36.879 -61.343 7.987 1.00 2.00 H new ATOM 0 HZ PHE A 16 -38.737 -62.432 6.812 1.00 2.00 H new ATOM 277 N LEU A 17 -32.260 -60.389 2.514 1.00 2.23 N ATOM 278 CA LEU A 17 -31.240 -59.747 1.563 1.00 2.86 C ATOM 279 C LEU A 17 -30.838 -60.616 0.432 1.00 2.04 C ATOM 280 O LEU A 17 -30.737 -60.177 -0.734 1.00 1.52 O ATOM 281 CB LEU A 17 -30.015 -59.240 2.435 1.00 2.67 C ATOM 282 CG LEU A 17 -29.358 -58.067 1.762 1.00 2.46 C ATOM 283 CD1 LEU A 17 -30.084 -56.780 2.114 1.00 2.44 C ATOM 284 CD2 LEU A 17 -27.878 -57.863 2.053 1.00 2.44 C ATOM 0 H LEU A 17 -31.941 -60.544 3.470 1.00 2.23 H new ATOM 0 HA LEU A 17 -31.708 -58.900 1.061 1.00 2.86 H new ATOM 0 HB2 LEU A 17 -30.359 -58.954 3.429 1.00 2.67 H new ATOM 0 HB3 LEU A 17 -29.293 -60.046 2.567 1.00 2.67 H new ATOM 0 HG LEU A 17 -29.428 -58.312 0.702 1.00 2.46 H new ATOM 0 HD11 LEU A 17 -29.596 -55.940 1.619 1.00 2.44 H new ATOM 0 HD12 LEU A 17 -31.120 -56.845 1.782 1.00 2.44 H new ATOM 0 HD13 LEU A 17 -30.057 -56.631 3.193 1.00 2.44 H new ATOM 0 HD21 LEU A 17 -27.518 -56.988 1.512 1.00 2.44 H new ATOM 0 HD22 LEU A 17 -27.735 -57.712 3.123 1.00 2.44 H new ATOM 0 HD23 LEU A 17 -27.320 -58.743 1.733 1.00 2.44 H new ATOM 296 N ILE A 18 -30.657 -61.965 0.707 1.00 2.23 N ATOM 297 CA ILE A 18 -30.425 -62.929 -0.395 1.00 2.86 C ATOM 298 C ILE A 18 -31.542 -63.168 -1.428 1.00 2.04 C ATOM 299 O ILE A 18 -31.333 -63.390 -2.605 1.00 1.52 O ATOM 300 CB ILE A 18 -29.787 -64.264 0.107 1.00 2.67 C ATOM 301 CG1 ILE A 18 -30.769 -65.254 0.820 1.00 2.46 C ATOM 302 CG2 ILE A 18 -28.546 -64.071 1.009 1.00 2.46 C ATOM 303 CD1 ILE A 18 -30.225 -66.650 1.090 1.00 2.44 C ATOM 0 H ILE A 18 -30.670 -62.373 1.642 1.00 2.23 H new ATOM 0 HA ILE A 18 -29.701 -62.380 -0.997 1.00 2.86 H new ATOM 0 HB ILE A 18 -29.481 -64.720 -0.835 1.00 2.67 H new ATOM 0 HG12 ILE A 18 -31.073 -64.813 1.770 1.00 2.46 H new ATOM 0 HG13 ILE A 18 -31.667 -65.347 0.210 1.00 2.46 H new ATOM 0 HG21 ILE A 18 -28.163 -65.045 1.315 1.00 2.46 H new ATOM 0 HG22 ILE A 18 -27.774 -63.535 0.456 1.00 2.46 H new ATOM 0 HG23 ILE A 18 -28.824 -63.497 1.893 1.00 2.46 H new ATOM 0 HD11 ILE A 18 -30.989 -67.249 1.586 1.00 2.44 H new ATOM 0 HD12 ILE A 18 -29.950 -67.122 0.147 1.00 2.44 H new ATOM 0 HD13 ILE A 18 -29.346 -66.580 1.731 1.00 2.44 H new ATOM 315 N VAL A 19 -32.781 -63.073 -0.898 1.00 2.23 N ATOM 316 CA VAL A 19 -34.091 -62.994 -1.655 1.00 2.86 C ATOM 317 C VAL A 19 -34.091 -61.737 -2.485 1.00 2.04 C ATOM 318 O VAL A 19 -34.474 -61.724 -3.640 1.00 1.52 O ATOM 319 CB VAL A 19 -35.330 -63.162 -0.811 1.00 2.67 C ATOM 320 CG1 VAL A 19 -36.629 -62.740 -1.542 1.00 2.46 C ATOM 321 CG2 VAL A 19 -35.465 -64.616 -0.212 1.00 2.46 C ATOM 0 H VAL A 19 -32.923 -63.047 0.112 1.00 2.23 H new ATOM 0 HA VAL A 19 -34.147 -63.862 -2.312 1.00 2.86 H new ATOM 0 HB VAL A 19 -35.198 -62.474 0.024 1.00 2.67 H new ATOM 0 HG11 VAL A 19 -37.483 -62.886 -0.880 1.00 2.46 H new ATOM 0 HG12 VAL A 19 -36.563 -61.689 -1.823 1.00 2.46 H new ATOM 0 HG13 VAL A 19 -36.756 -63.348 -2.438 1.00 2.46 H new ATOM 0 HG21 VAL A 19 -36.374 -64.680 0.386 1.00 2.46 H new ATOM 0 HG22 VAL A 19 -35.513 -65.341 -1.024 1.00 2.46 H new ATOM 0 HG23 VAL A 19 -34.601 -64.832 0.416 1.00 2.46 H new ATOM 331 N VAL A 20 -33.618 -60.512 -1.953 1.00 2.23 N ATOM 332 CA VAL A 20 -33.717 -59.236 -2.666 1.00 2.86 C ATOM 333 C VAL A 20 -32.679 -59.219 -3.763 1.00 2.04 C ATOM 334 O VAL A 20 -32.959 -58.788 -4.906 1.00 1.52 O ATOM 335 CB VAL A 20 -33.540 -58.137 -1.728 1.00 2.67 C ATOM 336 CG1 VAL A 20 -33.225 -56.739 -2.395 1.00 2.46 C ATOM 337 CG2 VAL A 20 -34.851 -57.926 -0.875 1.00 2.46 C ATOM 0 H VAL A 20 -33.176 -60.436 -1.037 1.00 2.23 H new ATOM 0 HA VAL A 20 -34.701 -59.118 -3.120 1.00 2.86 H new ATOM 0 HB VAL A 20 -32.681 -58.437 -1.128 1.00 2.67 H new ATOM 0 HG11 VAL A 20 -33.110 -55.983 -1.618 1.00 2.46 H new ATOM 0 HG12 VAL A 20 -32.303 -56.811 -2.972 1.00 2.46 H new ATOM 0 HG13 VAL A 20 -34.045 -56.458 -3.056 1.00 2.46 H new ATOM 0 HG21 VAL A 20 -34.703 -57.101 -0.178 1.00 2.46 H new ATOM 0 HG22 VAL A 20 -35.684 -57.695 -1.539 1.00 2.46 H new ATOM 0 HG23 VAL A 20 -35.073 -58.836 -0.318 1.00 2.46 H new ATOM 347 N ASN A 21 -31.466 -59.678 -3.478 1.00 2.23 N ATOM 348 CA ASN A 21 -30.471 -59.962 -4.531 1.00 2.86 C ATOM 349 C ASN A 21 -30.952 -60.869 -5.710 1.00 2.04 C ATOM 350 O ASN A 21 -30.686 -60.578 -6.918 1.00 1.52 O ATOM 351 CB ASN A 21 -29.266 -60.537 -3.861 1.00 2.67 C ATOM 352 CG ASN A 21 -28.627 -59.373 -3.070 1.00 1.98 C ATOM 353 OD1 ASN A 21 -28.543 -58.218 -3.463 1.00 1.42 O ATOM 354 ND2 ASN A 21 -27.975 -59.803 -1.947 1.00 2.15 N ATOM 0 H ASN A 21 -31.138 -59.865 -2.530 1.00 2.23 H new ATOM 0 HA ASN A 21 -30.257 -59.017 -5.030 1.00 2.86 H new ATOM 0 HB2 ASN A 21 -29.542 -61.356 -3.197 1.00 2.67 H new ATOM 0 HB3 ASN A 21 -28.567 -60.942 -4.593 1.00 2.67 H new ATOM 0 HD21 ASN A 21 -27.399 -59.154 -1.412 1.00 2.15 H new ATOM 0 HD22 ASN A 21 -28.065 -60.773 -1.645 1.00 2.15 H new ATOM 361 N MET A 22 -31.751 -61.886 -5.421 1.00 2.23 N ATOM 362 CA MET A 22 -32.390 -62.736 -6.438 1.00 2.86 C ATOM 363 C MET A 22 -33.472 -62.046 -7.252 1.00 2.04 C ATOM 364 O MET A 22 -33.705 -62.189 -8.422 1.00 1.52 O ATOM 365 CB MET A 22 -32.956 -63.896 -5.588 1.00 2.67 C ATOM 366 CG MET A 22 -33.710 -65.025 -6.368 1.00 2.46 C ATOM 367 SD MET A 22 -34.093 -66.555 -5.410 1.00 2.00 S ATOM 368 CE MET A 22 -35.519 -65.880 -4.494 1.00 2.10 C ATOM 0 H MET A 22 -31.982 -62.154 -4.464 1.00 2.23 H new ATOM 0 HA MET A 22 -31.685 -63.044 -7.210 1.00 2.86 H new ATOM 0 HB2 MET A 22 -32.132 -64.351 -5.039 1.00 2.67 H new ATOM 0 HB3 MET A 22 -33.638 -63.477 -4.849 1.00 2.67 H new ATOM 0 HG2 MET A 22 -34.646 -64.614 -6.747 1.00 2.46 H new ATOM 0 HG3 MET A 22 -33.110 -65.304 -7.234 1.00 2.46 H new ATOM 0 HE1 MET A 22 -35.425 -66.132 -3.438 1.00 2.10 H new ATOM 0 HE2 MET A 22 -35.544 -64.796 -4.607 1.00 2.10 H new ATOM 0 HE3 MET A 22 -36.441 -66.308 -4.889 1.00 2.10 H new ATOM 378 N TYR A 23 -34.304 -61.244 -6.521 1.00 2.23 N ATOM 379 CA TYR A 23 -35.269 -60.462 -7.220 1.00 2.86 C ATOM 380 C TYR A 23 -34.702 -59.310 -8.139 1.00 2.04 C ATOM 381 O TYR A 23 -35.234 -59.061 -9.197 1.00 1.52 O ATOM 382 CB TYR A 23 -36.145 -59.773 -6.124 1.00 2.67 C ATOM 383 CG TYR A 23 -37.156 -60.616 -5.301 1.00 2.46 C ATOM 384 CD1 TYR A 23 -37.478 -62.013 -5.604 1.00 2.00 C ATOM 385 CD2 TYR A 23 -37.835 -59.939 -4.267 1.00 2.00 C ATOM 386 CE1 TYR A 23 -38.494 -62.644 -4.845 1.00 2.00 C ATOM 387 CE2 TYR A 23 -38.900 -60.567 -3.609 1.00 2.00 C ATOM 388 CZ TYR A 23 -39.174 -61.884 -3.877 1.00 2.00 C ATOM 389 OH TYR A 23 -40.069 -62.545 -3.124 1.00 1.85 O ATOM 0 H TYR A 23 -34.301 -61.150 -5.505 1.00 2.23 H new ATOM 0 HA TYR A 23 -35.792 -61.145 -7.890 1.00 2.86 H new ATOM 0 HB2 TYR A 23 -35.466 -59.298 -5.416 1.00 2.67 H new ATOM 0 HB3 TYR A 23 -36.707 -58.976 -6.611 1.00 2.67 H new ATOM 0 HD1 TYR A 23 -36.955 -62.547 -6.384 1.00 2.00 H new ATOM 0 HD2 TYR A 23 -37.535 -58.941 -3.984 1.00 2.00 H new ATOM 0 HE1 TYR A 23 -38.740 -63.683 -5.006 1.00 2.00 H new ATOM 0 HE2 TYR A 23 -39.500 -60.019 -2.897 1.00 2.00 H new ATOM 0 HH TYR A 23 -40.481 -61.925 -2.486 1.00 1.85 H new ATOM 399 N ILE A 24 -33.603 -58.595 -7.741 1.00 2.23 N ATOM 400 CA ILE A 24 -33.082 -57.509 -8.543 1.00 2.86 C ATOM 401 C ILE A 24 -32.365 -58.083 -9.772 1.00 2.04 C ATOM 402 O ILE A 24 -32.317 -57.493 -10.861 1.00 1.52 O ATOM 403 CB ILE A 24 -32.069 -56.548 -7.850 1.00 2.67 C ATOM 404 CG1 ILE A 24 -30.818 -57.300 -7.195 1.00 2.46 C ATOM 405 CG2 ILE A 24 -32.960 -55.749 -6.895 1.00 2.46 C ATOM 406 CD1 ILE A 24 -29.757 -56.305 -6.729 1.00 2.44 C ATOM 0 H ILE A 24 -33.088 -58.770 -6.878 1.00 2.23 H new ATOM 0 HA ILE A 24 -33.967 -56.915 -8.774 1.00 2.86 H new ATOM 0 HB ILE A 24 -31.543 -55.887 -8.539 1.00 2.67 H new ATOM 0 HG12 ILE A 24 -31.153 -57.901 -6.349 1.00 2.46 H new ATOM 0 HG13 ILE A 24 -30.382 -57.987 -7.921 1.00 2.46 H new ATOM 0 HG21 ILE A 24 -32.352 -55.031 -6.345 1.00 2.46 H new ATOM 0 HG22 ILE A 24 -33.721 -55.217 -7.466 1.00 2.46 H new ATOM 0 HG23 ILE A 24 -33.443 -56.429 -6.193 1.00 2.46 H new ATOM 0 HD11 ILE A 24 -28.919 -56.846 -6.288 1.00 2.44 H new ATOM 0 HD12 ILE A 24 -29.405 -55.723 -7.581 1.00 2.44 H new ATOM 0 HD13 ILE A 24 -30.188 -55.635 -5.985 1.00 2.44 H new ATOM 418 N ALA A 25 -31.838 -59.280 -9.605 1.00 2.23 N ATOM 419 CA ALA A 25 -31.259 -60.044 -10.691 1.00 2.86 C ATOM 420 C ALA A 25 -32.317 -60.553 -11.699 1.00 2.04 C ATOM 421 O ALA A 25 -32.110 -60.453 -12.916 1.00 1.52 O ATOM 422 CB ALA A 25 -30.264 -61.106 -10.134 1.00 2.67 C ATOM 0 H ALA A 25 -31.800 -59.754 -8.702 1.00 2.23 H new ATOM 0 HA ALA A 25 -30.652 -59.385 -11.312 1.00 2.86 H new ATOM 0 HB1 ALA A 25 -29.836 -61.673 -10.961 1.00 2.67 H new ATOM 0 HB2 ALA A 25 -29.466 -60.605 -9.586 1.00 2.67 H new ATOM 0 HB3 ALA A 25 -30.793 -61.784 -9.464 1.00 2.67 H new ATOM 428 N ILE A 26 -33.557 -60.895 -11.194 1.00 2.23 N ATOM 429 CA ILE A 26 -34.637 -61.395 -12.032 1.00 2.86 C ATOM 430 C ILE A 26 -35.262 -60.256 -12.835 1.00 2.04 C ATOM 431 O ILE A 26 -35.588 -60.442 -13.999 1.00 1.52 O ATOM 432 CB ILE A 26 -35.714 -62.181 -11.297 1.00 2.67 C ATOM 433 CG1 ILE A 26 -35.163 -63.456 -10.709 1.00 2.46 C ATOM 434 CG2 ILE A 26 -36.816 -62.589 -12.319 1.00 2.46 C ATOM 435 CD1 ILE A 26 -36.016 -64.143 -9.615 1.00 2.44 C ATOM 0 H ILE A 26 -33.801 -60.822 -10.206 1.00 2.23 H new ATOM 0 HA ILE A 26 -34.166 -62.115 -12.701 1.00 2.86 H new ATOM 0 HB ILE A 26 -36.104 -61.550 -10.498 1.00 2.67 H new ATOM 0 HG12 ILE A 26 -35.013 -64.168 -11.521 1.00 2.46 H new ATOM 0 HG13 ILE A 26 -34.181 -63.240 -10.289 1.00 2.46 H new ATOM 0 HG21 ILE A 26 -37.596 -63.153 -11.807 1.00 2.46 H new ATOM 0 HG22 ILE A 26 -37.249 -61.693 -12.764 1.00 2.46 H new ATOM 0 HG23 ILE A 26 -36.376 -63.206 -13.102 1.00 2.46 H new ATOM 0 HD11 ILE A 26 -35.512 -65.047 -9.275 1.00 2.44 H new ATOM 0 HD12 ILE A 26 -36.146 -63.462 -8.774 1.00 2.44 H new ATOM 0 HD13 ILE A 26 -36.992 -64.404 -10.025 1.00 2.44 H new ATOM 447 N ILE A 27 -35.394 -59.006 -12.290 1.00 2.23 N ATOM 448 CA ILE A 27 -35.934 -57.852 -12.993 1.00 2.86 C ATOM 449 C ILE A 27 -34.879 -57.317 -13.943 1.00 2.04 C ATOM 450 O ILE A 27 -35.174 -56.738 -14.987 1.00 1.52 O ATOM 451 CB ILE A 27 -36.508 -56.766 -12.016 1.00 2.67 C ATOM 452 CG1 ILE A 27 -37.449 -55.827 -12.809 1.00 2.46 C ATOM 453 CG2 ILE A 27 -35.445 -55.963 -11.281 1.00 2.46 C ATOM 454 CD1 ILE A 27 -38.843 -56.415 -12.777 1.00 2.44 C ATOM 0 H ILE A 27 -35.116 -58.795 -11.332 1.00 2.23 H new ATOM 0 HA ILE A 27 -36.797 -58.162 -13.583 1.00 2.86 H new ATOM 0 HB ILE A 27 -37.054 -57.296 -11.236 1.00 2.67 H new ATOM 0 HG12 ILE A 27 -37.448 -54.829 -12.371 1.00 2.46 H new ATOM 0 HG13 ILE A 27 -37.104 -55.724 -13.838 1.00 2.46 H new ATOM 0 HG21 ILE A 27 -35.926 -55.235 -10.627 1.00 2.46 H new ATOM 0 HG22 ILE A 27 -34.829 -56.636 -10.684 1.00 2.46 H new ATOM 0 HG23 ILE A 27 -34.818 -55.442 -12.004 1.00 2.46 H new ATOM 0 HD11 ILE A 27 -39.524 -55.768 -13.331 1.00 2.44 H new ATOM 0 HD12 ILE A 27 -38.831 -57.405 -13.233 1.00 2.44 H new ATOM 0 HD13 ILE A 27 -39.180 -56.496 -11.744 1.00 2.44 H new ATOM 466 N LEU A 28 -33.579 -57.597 -13.717 1.00 2.23 N ATOM 467 CA LEU A 28 -32.507 -57.136 -14.615 1.00 2.86 C ATOM 468 C LEU A 28 -32.578 -57.898 -15.996 1.00 2.04 C ATOM 469 O LEU A 28 -32.732 -57.292 -17.086 1.00 1.52 O ATOM 470 CB LEU A 28 -31.090 -57.228 -13.942 1.00 2.67 C ATOM 471 CG LEU A 28 -29.943 -56.569 -14.692 1.00 2.46 C ATOM 472 CD1 LEU A 28 -30.138 -55.132 -14.903 1.00 2.44 C ATOM 473 CD2 LEU A 28 -28.587 -56.861 -13.888 1.00 2.44 C ATOM 0 H LEU A 28 -33.249 -58.140 -12.919 1.00 2.23 H new ATOM 0 HA LEU A 28 -32.667 -56.077 -14.818 1.00 2.86 H new ATOM 0 HB2 LEU A 28 -31.153 -56.780 -12.950 1.00 2.67 H new ATOM 0 HB3 LEU A 28 -30.846 -58.281 -13.801 1.00 2.67 H new ATOM 0 HG LEU A 28 -29.894 -56.998 -15.693 1.00 2.46 H new ATOM 0 HD11 LEU A 28 -29.284 -54.724 -15.443 1.00 2.44 H new ATOM 0 HD12 LEU A 28 -31.046 -54.969 -15.484 1.00 2.44 H new ATOM 0 HD13 LEU A 28 -30.230 -54.632 -13.939 1.00 2.44 H new ATOM 0 HD21 LEU A 28 -27.749 -56.397 -14.408 1.00 2.44 H new ATOM 0 HD22 LEU A 28 -28.664 -56.447 -12.882 1.00 2.44 H new ATOM 0 HD23 LEU A 28 -28.425 -57.937 -13.826 1.00 2.44 H new ATOM 485 N GLU A 29 -32.699 -59.260 -15.925 1.00 2.23 N ATOM 486 CA GLU A 29 -32.907 -60.245 -16.966 1.00 2.86 C ATOM 487 C GLU A 29 -34.250 -60.190 -17.755 1.00 2.04 C ATOM 488 O GLU A 29 -34.238 -60.336 -18.954 1.00 1.52 O ATOM 489 CB GLU A 29 -32.699 -61.754 -16.483 1.00 2.67 C ATOM 490 CG GLU A 29 -32.339 -62.874 -17.492 1.00 2.77 C ATOM 491 CD GLU A 29 -31.247 -62.522 -18.507 1.00 1.98 C ATOM 492 OE1 GLU A 29 -31.592 -62.157 -19.645 1.00 1.40 O ATOM 493 OE2 GLU A 29 -30.086 -62.464 -18.094 1.00 1.40 O1- ATOM 0 H GLU A 29 -32.642 -59.719 -15.016 1.00 2.23 H new ATOM 0 HA GLU A 29 -32.120 -59.939 -17.655 1.00 2.86 H new ATOM 0 HB2 GLU A 29 -31.914 -61.742 -15.727 1.00 2.67 H new ATOM 0 HB3 GLU A 29 -33.618 -62.059 -15.983 1.00 2.67 H new ATOM 0 HG2 GLU A 29 -32.021 -63.754 -16.933 1.00 2.77 H new ATOM 0 HG3 GLU A 29 -33.241 -63.152 -18.037 1.00 2.77 H new ATOM 500 N ASN A 30 -35.420 -59.886 -17.053 1.00 2.23 N ATOM 501 CA ASN A 30 -36.666 -59.659 -17.614 1.00 2.86 C ATOM 502 C ASN A 30 -36.699 -58.274 -18.401 1.00 2.04 C ATOM 503 O ASN A 30 -37.084 -58.241 -19.595 1.00 1.52 O ATOM 504 CB ASN A 30 -37.854 -59.862 -16.671 1.00 2.67 C ATOM 505 CG ASN A 30 -38.156 -61.305 -16.529 1.00 1.98 C ATOM 506 OD1 ASN A 30 -39.097 -61.865 -17.151 1.00 1.42 O ATOM 507 ND2 ASN A 30 -37.508 -62.053 -15.613 1.00 2.15 N ATOM 0 H ASN A 30 -35.431 -59.808 -16.036 1.00 2.23 H new ATOM 0 HA ASN A 30 -36.808 -60.454 -18.346 1.00 2.86 H new ATOM 0 HB2 ASN A 30 -37.630 -59.433 -15.695 1.00 2.67 H new ATOM 0 HB3 ASN A 30 -38.728 -59.337 -17.057 1.00 2.67 H new ATOM 0 HD21 ASN A 30 -37.789 -63.021 -15.454 1.00 2.15 H new ATOM 0 HD22 ASN A 30 -36.737 -61.651 -15.079 1.00 2.15 H new ATOM 514 N PHE A 31 -36.175 -57.222 -17.794 1.00 2.23 N ATOM 515 CA PHE A 31 -36.210 -55.899 -18.450 1.00 2.86 C ATOM 516 C PHE A 31 -35.320 -55.955 -19.742 1.00 2.04 C ATOM 517 O PHE A 31 -35.662 -55.476 -20.832 1.00 1.52 O ATOM 518 CB PHE A 31 -35.721 -54.738 -17.470 1.00 2.67 C ATOM 519 CG PHE A 31 -35.762 -53.376 -18.078 1.00 2.46 C ATOM 520 CD1 PHE A 31 -34.591 -52.662 -18.441 1.00 2.00 C ATOM 521 CD2 PHE A 31 -36.995 -52.749 -18.275 1.00 2.00 C ATOM 522 CE1 PHE A 31 -34.654 -51.371 -19.015 1.00 2.00 C ATOM 523 CE2 PHE A 31 -37.058 -51.409 -18.884 1.00 2.00 C ATOM 524 CZ PHE A 31 -35.886 -50.842 -19.392 1.00 2.00 C ATOM 0 H PHE A 31 -35.730 -57.241 -16.876 1.00 2.23 H new ATOM 0 HA PHE A 31 -37.240 -55.665 -18.720 1.00 2.86 H new ATOM 0 HB2 PHE A 31 -36.344 -54.745 -16.576 1.00 2.67 H new ATOM 0 HB3 PHE A 31 -34.701 -54.952 -17.150 1.00 2.67 H new ATOM 0 HD1 PHE A 31 -33.626 -53.117 -18.275 1.00 2.00 H new ATOM 0 HD2 PHE A 31 -37.906 -53.249 -17.980 1.00 2.00 H new ATOM 0 HE1 PHE A 31 -33.750 -50.798 -19.160 1.00 2.00 H new ATOM 0 HE2 PHE A 31 -37.994 -50.874 -18.937 1.00 2.00 H new ATOM 0 HZ PHE A 31 -35.935 -50.003 -20.070 1.00 2.00 H new ATOM 534 N LYS A 32 -34.230 -56.701 -19.716 1.00 2.23 N ATOM 535 CA LYS A 32 -33.330 -57.013 -20.870 1.00 2.86 C ATOM 536 C LYS A 32 -33.958 -57.697 -22.035 1.00 2.04 C ATOM 537 O LYS A 32 -33.744 -57.254 -23.107 1.00 1.52 O ATOM 538 CB LYS A 32 -32.046 -57.788 -20.437 1.00 2.67 C ATOM 539 CG LYS A 32 -31.106 -58.123 -21.597 1.00 2.46 C ATOM 540 CD LYS A 32 -29.635 -58.275 -21.121 1.00 2.44 C ATOM 541 CE LYS A 32 -29.419 -59.495 -20.232 1.00 2.80 C ATOM 542 NZ LYS A 32 -29.647 -60.776 -20.956 1.00 2.13 N1+ ATOM 0 H LYS A 32 -33.910 -57.141 -18.853 1.00 2.23 H new ATOM 0 HA LYS A 32 -33.063 -56.018 -21.225 1.00 2.86 H new ATOM 0 HB2 LYS A 32 -31.504 -57.192 -19.703 1.00 2.67 H new ATOM 0 HB3 LYS A 32 -32.341 -58.713 -19.942 1.00 2.67 H new ATOM 0 HG2 LYS A 32 -31.431 -59.048 -22.073 1.00 2.46 H new ATOM 0 HG3 LYS A 32 -31.165 -57.338 -22.351 1.00 2.46 H new ATOM 0 HD2 LYS A 32 -28.983 -58.347 -21.991 1.00 2.44 H new ATOM 0 HD3 LYS A 32 -29.341 -57.378 -20.576 1.00 2.44 H new ATOM 0 HE2 LYS A 32 -28.402 -59.479 -19.840 1.00 2.80 H new ATOM 0 HE3 LYS A 32 -30.092 -59.440 -19.376 1.00 2.80 H new ATOM 0 HZ1 LYS A 32 -30.412 -61.306 -20.492 1.00 2.13 H new ATOM 0 HZ2 LYS A 32 -29.913 -60.575 -21.941 1.00 2.13 H new ATOM 0 HZ3 LYS A 32 -28.775 -61.343 -20.941 1.00 2.13 H new ATOM 556 N LYS A 33 -34.793 -58.703 -21.809 1.00 2.23 N ATOM 557 CA LYS A 33 -35.402 -59.391 -22.898 1.00 2.86 C ATOM 558 C LYS A 33 -36.718 -58.815 -23.366 1.00 2.04 C ATOM 559 O LYS A 33 -36.812 -58.471 -24.580 1.00 1.52 O ATOM 560 CB LYS A 33 -35.511 -60.847 -22.334 1.00 2.67 C ATOM 561 CG LYS A 33 -35.823 -61.928 -23.403 1.00 2.46 C ATOM 562 CD LYS A 33 -35.751 -63.371 -22.810 1.00 2.44 C ATOM 563 CE LYS A 33 -35.981 -64.518 -23.866 1.00 2.80 C ATOM 564 NZ LYS A 33 -34.972 -64.314 -24.907 1.00 2.13 N1+ ATOM 0 H LYS A 33 -35.051 -59.045 -20.883 1.00 2.23 H new ATOM 0 HA LYS A 33 -34.822 -59.316 -23.818 1.00 2.86 H new ATOM 0 HB2 LYS A 33 -34.574 -61.103 -21.839 1.00 2.67 H new ATOM 0 HB3 LYS A 33 -36.291 -60.871 -21.573 1.00 2.67 H new ATOM 0 HG2 LYS A 33 -36.817 -61.754 -23.816 1.00 2.46 H new ATOM 0 HG3 LYS A 33 -35.115 -61.838 -24.227 1.00 2.46 H new ATOM 0 HD2 LYS A 33 -34.775 -63.512 -22.345 1.00 2.44 H new ATOM 0 HD3 LYS A 33 -36.497 -63.465 -22.021 1.00 2.44 H new ATOM 0 HE2 LYS A 33 -35.874 -65.500 -23.405 1.00 2.80 H new ATOM 0 HE3 LYS A 33 -36.987 -64.469 -24.282 1.00 2.80 H new ATOM 0 HZ1 LYS A 33 -34.853 -65.192 -25.452 1.00 2.13 H new ATOM 0 HZ2 LYS A 33 -35.279 -63.551 -25.543 1.00 2.13 H new ATOM 0 HZ3 LYS A 33 -34.066 -64.055 -24.467 1.00 2.13 H new ATOM 578 N LYS A 34 -37.649 -58.515 -22.423 1.00 2.23 N ATOM 579 CA LYS A 34 -39.028 -58.015 -22.616 1.00 2.86 C ATOM 580 C LYS A 34 -39.204 -56.612 -23.204 1.00 2.04 C ATOM 581 O LYS A 34 -39.776 -56.479 -24.285 1.00 1.52 O ATOM 582 CB LYS A 34 -39.855 -58.305 -21.419 1.00 2.67 C ATOM 583 CG LYS A 34 -41.331 -58.192 -21.721 1.00 2.46 C ATOM 584 CD LYS A 34 -42.215 -59.091 -20.866 1.00 2.44 C ATOM 585 CE LYS A 34 -41.988 -60.587 -20.994 1.00 2.80 C ATOM 586 NZ LYS A 34 -42.966 -61.326 -20.221 1.00 2.13 N1+ ATOM 0 H LYS A 34 -37.434 -58.627 -21.432 1.00 2.23 H new ATOM 0 HA LYS A 34 -39.420 -58.593 -23.452 1.00 2.86 H new ATOM 0 HB2 LYS A 34 -39.633 -59.309 -21.057 1.00 2.67 H new ATOM 0 HB3 LYS A 34 -39.593 -57.613 -20.619 1.00 2.67 H new ATOM 0 HG2 LYS A 34 -41.641 -57.157 -21.580 1.00 2.46 H new ATOM 0 HG3 LYS A 34 -41.495 -58.433 -22.771 1.00 2.46 H new ATOM 0 HD2 LYS A 34 -42.075 -58.813 -19.821 1.00 2.44 H new ATOM 0 HD3 LYS A 34 -43.255 -58.882 -21.114 1.00 2.44 H new ATOM 0 HE2 LYS A 34 -42.050 -60.880 -22.042 1.00 2.80 H new ATOM 0 HE3 LYS A 34 -40.984 -60.837 -20.652 1.00 2.80 H new ATOM 0 HZ1 LYS A 34 -42.791 -62.346 -20.324 1.00 2.13 H new ATOM 0 HZ2 LYS A 34 -42.888 -61.061 -19.218 1.00 2.13 H new ATOM 0 HZ3 LYS A 34 -43.922 -61.102 -20.565 1.00 2.13 H new HETATM 600 N NH2 A 35 -38.768 -55.563 -22.438 1.00 2.23 N TER 603 NH2 A 35