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+ -125:sc= 0.0325 (180deg=-0.00766) USER MOD Single : A 1 LYS NZ :NH3+ -169:sc= 0.231 (180deg=0.175) 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 45:sc= 0.485 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 62:sc= 0.848 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 66:sc= 0.954 USER MOD Single : A 21 ASN : amide:sc= 0.126 X(o=0.13,f=0) USER MOD Single : A 22 MET CE :methyl -179:sc= 0 (180deg=-0.0149) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.012 K(o=-0.012,f=-0.58) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -21.952 -66.276 24.569 1.00 2.23 N ATOM 2 CA LYS A 1 -22.203 -64.930 23.880 1.00 2.86 C ATOM 3 C LYS A 1 -23.069 -63.992 24.712 1.00 2.04 C ATOM 4 O LYS A 1 -23.404 -64.263 25.873 1.00 1.52 O ATOM 5 CB LYS A 1 -23.041 -65.187 22.554 1.00 2.67 C ATOM 6 CG LYS A 1 -24.472 -65.742 22.765 1.00 2.46 C ATOM 7 CD LYS A 1 -25.424 -65.894 21.554 1.00 2.44 C ATOM 8 CE LYS A 1 -26.870 -66.357 21.777 1.00 2.80 C ATOM 9 NZ LYS A 1 -27.611 -65.280 22.477 1.00 2.13 N1+ ATOM 0 H1 LYS A 1 -20.928 -66.448 24.633 1.00 2.23 H new ATOM 0 H2 LYS A 1 -22.360 -66.258 25.525 1.00 2.23 H new ATOM 0 H3 LYS A 1 -22.397 -67.037 24.017 1.00 2.23 H new ATOM 0 HA LYS A 1 -21.223 -64.484 23.710 1.00 2.86 H new ATOM 0 HB2 LYS A 1 -23.112 -64.249 22.003 1.00 2.67 H new ATOM 0 HB3 LYS A 1 -22.488 -65.886 21.926 1.00 2.67 H new ATOM 0 HG2 LYS A 1 -24.375 -66.724 23.228 1.00 2.46 H new ATOM 0 HG3 LYS A 1 -24.968 -65.096 23.489 1.00 2.46 H new ATOM 0 HD2 LYS A 1 -25.465 -64.929 21.049 1.00 2.44 H new ATOM 0 HD3 LYS A 1 -24.960 -66.596 20.861 1.00 2.44 H new ATOM 0 HE2 LYS A 1 -27.345 -66.584 20.823 1.00 2.80 H new ATOM 0 HE3 LYS A 1 -26.887 -67.273 22.368 1.00 2.80 H new ATOM 0 HZ1 LYS A 1 -28.530 -65.644 22.800 1.00 2.13 H new ATOM 0 HZ2 LYS A 1 -27.060 -64.956 23.297 1.00 2.13 H new ATOM 0 HZ3 LYS A 1 -27.764 -64.484 21.826 1.00 2.13 H new ATOM 25 N LYS A 2 -23.494 -62.847 24.133 1.00 2.23 N ATOM 26 CA LYS A 2 -24.409 -61.905 24.658 1.00 2.86 C ATOM 27 C LYS A 2 -25.833 -62.351 25.016 1.00 2.04 C ATOM 28 O LYS A 2 -26.424 -63.258 24.465 1.00 1.52 O ATOM 29 CB LYS A 2 -24.691 -60.819 23.579 1.00 2.67 C ATOM 30 CG LYS A 2 -23.537 -59.837 23.300 1.00 2.46 C ATOM 31 CD LYS A 2 -22.816 -59.187 24.474 1.00 2.44 C ATOM 32 CE LYS A 2 -21.788 -58.151 24.216 1.00 2.80 C ATOM 33 NZ LYS A 2 -22.273 -56.816 23.753 1.00 2.13 N1+ ATOM 0 H LYS A 2 -23.156 -62.569 23.212 1.00 2.23 H new ATOM 0 HA LYS A 2 -23.898 -61.619 25.577 1.00 2.86 H new ATOM 0 HB2 LYS A 2 -24.951 -61.319 22.646 1.00 2.67 H new ATOM 0 HB3 LYS A 2 -25.565 -60.245 23.887 1.00 2.67 H new ATOM 0 HG2 LYS A 2 -22.790 -60.367 22.709 1.00 2.46 H new ATOM 0 HG3 LYS A 2 -23.931 -59.037 22.673 1.00 2.46 H new ATOM 0 HD2 LYS A 2 -23.575 -58.741 25.117 1.00 2.44 H new ATOM 0 HD3 LYS A 2 -22.341 -59.983 25.047 1.00 2.44 H new ATOM 0 HE2 LYS A 2 -21.217 -58.005 25.133 1.00 2.80 H new ATOM 0 HE3 LYS A 2 -21.097 -58.539 23.468 1.00 2.80 H new ATOM 0 HZ1 LYS A 2 -21.461 -56.183 23.609 1.00 2.13 H new ATOM 0 HZ2 LYS A 2 -22.790 -56.926 22.857 1.00 2.13 H new ATOM 0 HZ3 LYS A 2 -22.906 -56.409 24.470 1.00 2.13 H new ATOM 47 N LYS A 3 -26.439 -61.790 26.105 1.00 2.23 N ATOM 48 CA LYS A 3 -27.820 -62.124 26.584 1.00 2.86 C ATOM 49 C LYS A 3 -28.921 -61.507 25.720 1.00 2.04 C ATOM 50 O LYS A 3 -30.083 -61.379 26.065 1.00 1.52 O ATOM 51 CB LYS A 3 -27.862 -61.603 28.060 1.00 2.67 C ATOM 52 CG LYS A 3 -26.674 -62.097 28.879 1.00 2.46 C ATOM 53 CD LYS A 3 -26.918 -62.043 30.450 1.00 2.44 C ATOM 54 CE LYS A 3 -27.627 -63.369 30.938 1.00 2.80 C ATOM 55 NZ LYS A 3 -27.796 -63.372 32.469 1.00 2.13 N1+ ATOM 0 H LYS A 3 -25.979 -61.086 26.682 1.00 2.23 H new ATOM 0 HA LYS A 3 -28.015 -63.194 26.519 1.00 2.86 H new ATOM 0 HB2 LYS A 3 -27.872 -60.513 28.059 1.00 2.67 H new ATOM 0 HB3 LYS A 3 -28.788 -61.930 28.533 1.00 2.67 H new ATOM 0 HG2 LYS A 3 -26.446 -63.123 28.590 1.00 2.46 H new ATOM 0 HG3 LYS A 3 -25.799 -61.495 28.635 1.00 2.46 H new ATOM 0 HD2 LYS A 3 -25.968 -61.918 30.969 1.00 2.44 H new ATOM 0 HD3 LYS A 3 -27.534 -61.179 30.700 1.00 2.44 H new ATOM 0 HE2 LYS A 3 -28.603 -63.461 30.461 1.00 2.80 H new ATOM 0 HE3 LYS A 3 -27.039 -64.234 30.632 1.00 2.80 H new ATOM 0 HZ1 LYS A 3 -28.264 -64.252 32.765 1.00 2.13 H new ATOM 0 HZ2 LYS A 3 -26.862 -63.307 32.922 1.00 2.13 H new ATOM 0 HZ3 LYS A 3 -28.377 -62.558 32.756 1.00 2.13 H new ATOM 69 N GLY A 4 -28.496 -61.025 24.517 1.00 2.23 N ATOM 70 CA GLY A 4 -29.273 -60.528 23.458 1.00 2.38 C ATOM 71 C GLY A 4 -29.292 -61.439 22.249 1.00 2.04 C ATOM 72 O GLY A 4 -28.387 -62.326 22.015 1.00 1.52 O ATOM 0 H GLY A 4 -27.501 -60.993 24.293 1.00 2.23 H new ATOM 0 HA2 GLY A 4 -30.295 -60.377 23.806 1.00 2.38 H new ATOM 0 HA3 GLY A 4 -28.889 -59.552 23.162 1.00 2.38 H new ATOM 76 N ILE A 5 -30.339 -61.077 21.340 1.00 2.23 N ATOM 77 CA ILE A 5 -30.793 -61.983 20.323 1.00 2.86 C ATOM 78 C ILE A 5 -30.177 -61.538 18.985 1.00 2.04 C ATOM 79 O ILE A 5 -30.591 -62.004 17.963 1.00 1.52 O ATOM 80 CB ILE A 5 -32.302 -61.903 20.364 1.00 2.67 C ATOM 81 CG1 ILE A 5 -33.091 -62.956 19.550 1.00 2.46 C ATOM 82 CG2 ILE A 5 -32.808 -60.520 19.722 1.00 2.46 C ATOM 83 CD1 ILE A 5 -32.944 -64.368 20.106 1.00 2.44 C ATOM 0 H ILE A 5 -30.820 -60.178 21.352 1.00 2.23 H new ATOM 0 HA ILE A 5 -30.493 -63.021 20.466 1.00 2.86 H new ATOM 0 HB ILE A 5 -32.495 -62.045 21.427 1.00 2.67 H new ATOM 0 HG12 ILE A 5 -34.146 -62.683 19.539 1.00 2.46 H new ATOM 0 HG13 ILE A 5 -32.747 -62.941 18.516 1.00 2.46 H new ATOM 0 HG21 ILE A 5 -33.897 -60.478 19.759 1.00 2.46 H new ATOM 0 HG22 ILE A 5 -32.393 -59.684 20.285 1.00 2.46 H new ATOM 0 HG23 ILE A 5 -32.478 -60.458 18.685 1.00 2.46 H new ATOM 0 HD11 ILE A 5 -33.520 -65.062 19.494 1.00 2.44 H new ATOM 0 HD12 ILE A 5 -31.893 -64.657 20.092 1.00 2.44 H new ATOM 0 HD13 ILE A 5 -33.314 -64.396 21.131 1.00 2.44 H new ATOM 95 N CYS A 6 -29.221 -60.542 18.963 1.00 2.23 N ATOM 96 CA CYS A 6 -28.545 -60.017 17.759 1.00 2.86 C ATOM 97 C CYS A 6 -27.711 -61.004 16.899 1.00 2.04 C ATOM 98 O CYS A 6 -27.580 -60.918 15.673 1.00 1.52 O ATOM 99 CB CYS A 6 -27.515 -58.908 18.208 1.00 2.67 C ATOM 100 SG CYS A 6 -26.289 -59.329 19.520 1.00 2.00 S ATOM 0 H CYS A 6 -28.905 -60.083 19.817 1.00 2.23 H new ATOM 0 HA CYS A 6 -29.378 -59.688 17.138 1.00 2.86 H new ATOM 0 HB2 CYS A 6 -26.960 -58.593 17.324 1.00 2.67 H new ATOM 0 HB3 CYS A 6 -28.085 -58.045 18.551 1.00 2.67 H new ATOM 0 HG CYS A 6 -25.776 -60.498 19.275 1.00 2.00 H new ATOM 106 N PHE A 7 -27.095 -61.990 17.470 1.00 2.23 N ATOM 107 CA PHE A 7 -26.469 -63.026 16.724 1.00 2.86 C ATOM 108 C PHE A 7 -27.453 -63.959 15.980 1.00 2.04 C ATOM 109 O PHE A 7 -27.224 -64.261 14.828 1.00 1.52 O ATOM 110 CB PHE A 7 -25.694 -63.868 17.681 1.00 2.67 C ATOM 111 CG PHE A 7 -24.474 -63.199 18.152 1.00 2.46 C ATOM 112 CD1 PHE A 7 -23.232 -63.366 17.511 1.00 2.00 C ATOM 113 CD2 PHE A 7 -24.480 -62.507 19.400 1.00 2.00 C ATOM 114 CE1 PHE A 7 -22.012 -62.984 18.179 1.00 2.00 C ATOM 115 CE2 PHE A 7 -23.189 -62.122 19.945 1.00 2.00 C ATOM 116 CZ PHE A 7 -21.978 -62.279 19.357 1.00 2.00 C ATOM 0 H PHE A 7 -27.014 -62.096 18.481 1.00 2.23 H new ATOM 0 HA PHE A 7 -25.853 -62.541 15.967 1.00 2.86 H new ATOM 0 HB2 PHE A 7 -26.323 -64.115 18.536 1.00 2.67 H new ATOM 0 HB3 PHE A 7 -25.427 -64.809 17.200 1.00 2.67 H new ATOM 0 HD1 PHE A 7 -23.192 -63.782 16.515 1.00 2.00 H new ATOM 0 HD2 PHE A 7 -25.401 -62.280 19.916 1.00 2.00 H new ATOM 0 HE1 PHE A 7 -21.073 -63.268 17.728 1.00 2.00 H new ATOM 0 HE2 PHE A 7 -23.195 -61.662 20.922 1.00 2.00 H new ATOM 0 HZ PHE A 7 -21.065 -61.884 19.778 1.00 2.00 H new ATOM 126 N PHE A 8 -28.635 -64.263 16.531 1.00 2.23 N ATOM 127 CA PHE A 8 -29.748 -64.880 15.897 1.00 2.86 C ATOM 128 C PHE A 8 -30.396 -64.041 14.761 1.00 2.04 C ATOM 129 O PHE A 8 -30.541 -64.496 13.577 1.00 1.52 O ATOM 130 CB PHE A 8 -30.773 -65.250 16.963 1.00 2.67 C ATOM 131 CG PHE A 8 -30.373 -66.484 17.688 1.00 2.46 C ATOM 132 CD1 PHE A 8 -29.979 -66.445 19.019 1.00 2.00 C ATOM 133 CD2 PHE A 8 -30.462 -67.719 17.027 1.00 2.00 C ATOM 134 CE1 PHE A 8 -29.674 -67.613 19.663 1.00 2.00 C ATOM 135 CE2 PHE A 8 -29.945 -68.895 17.606 1.00 2.00 C ATOM 136 CZ PHE A 8 -29.491 -68.824 18.927 1.00 2.00 C ATOM 0 H PHE A 8 -28.826 -64.057 17.511 1.00 2.23 H new ATOM 0 HA PHE A 8 -29.374 -65.771 15.392 1.00 2.86 H new ATOM 0 HB2 PHE A 8 -30.879 -64.428 17.670 1.00 2.67 H new ATOM 0 HB3 PHE A 8 -31.748 -65.398 16.498 1.00 2.67 H new ATOM 0 HD1 PHE A 8 -29.914 -65.502 19.541 1.00 2.00 H new ATOM 0 HD2 PHE A 8 -30.935 -67.769 16.057 1.00 2.00 H new ATOM 0 HE1 PHE A 8 -29.571 -67.620 20.738 1.00 2.00 H new ATOM 0 HE2 PHE A 8 -29.901 -69.819 17.049 1.00 2.00 H new ATOM 0 HZ PHE A 8 -29.008 -69.674 19.385 1.00 2.00 H new ATOM 146 N CYS A 9 -30.556 -62.713 14.969 1.00 2.23 N ATOM 147 CA CYS A 9 -31.100 -61.831 13.980 1.00 2.86 C ATOM 148 C CYS A 9 -30.115 -61.616 12.842 1.00 2.04 C ATOM 149 O CYS A 9 -30.524 -61.535 11.717 1.00 1.52 O ATOM 150 CB CYS A 9 -31.488 -60.505 14.672 1.00 2.67 C ATOM 151 SG CYS A 9 -32.389 -59.398 13.585 1.00 2.00 S ATOM 0 H CYS A 9 -30.302 -62.248 15.841 1.00 2.23 H new ATOM 0 HA CYS A 9 -31.991 -62.271 13.533 1.00 2.86 H new ATOM 0 HB2 CYS A 9 -32.097 -60.722 15.550 1.00 2.67 H new ATOM 0 HB3 CYS A 9 -30.586 -60.006 15.026 1.00 2.67 H new ATOM 0 HG CYS A 9 -32.686 -58.307 14.226 1.00 2.00 H new ATOM 157 N SER A 10 -28.783 -61.542 13.089 1.00 2.23 N ATOM 158 CA SER A 10 -27.860 -61.293 11.966 1.00 2.86 C ATOM 159 C SER A 10 -27.829 -62.358 10.931 1.00 2.04 C ATOM 160 O SER A 10 -27.596 -62.141 9.787 1.00 1.52 O ATOM 161 CB SER A 10 -26.342 -61.069 12.355 1.00 2.67 C ATOM 162 OG SER A 10 -26.189 -60.042 13.324 1.00 1.64 O ATOM 0 H SER A 10 -28.347 -61.645 14.005 1.00 2.23 H new ATOM 0 HA SER A 10 -28.298 -60.372 11.582 1.00 2.86 H new ATOM 0 HB2 SER A 10 -25.926 -61.999 12.743 1.00 2.67 H new ATOM 0 HB3 SER A 10 -25.772 -60.813 11.462 1.00 2.67 H new ATOM 0 HG SER A 10 -26.653 -60.298 14.148 1.00 1.64 H new ATOM 168 N TYR A 11 -28.002 -63.634 11.356 1.00 2.23 N ATOM 169 CA TYR A 11 -28.246 -64.745 10.412 1.00 2.86 C ATOM 170 C TYR A 11 -29.559 -64.709 9.613 1.00 2.04 C ATOM 171 O TYR A 11 -29.520 -65.045 8.393 1.00 1.52 O ATOM 172 CB TYR A 11 -28.003 -66.060 11.150 1.00 2.67 C ATOM 173 CG TYR A 11 -26.710 -66.118 11.906 1.00 2.46 C ATOM 174 CD1 TYR A 11 -26.679 -66.860 13.078 1.00 2.00 C ATOM 175 CD2 TYR A 11 -25.455 -65.616 11.362 1.00 2.00 C ATOM 176 CE1 TYR A 11 -25.409 -67.236 13.632 1.00 2.00 C ATOM 177 CE2 TYR A 11 -24.229 -65.911 11.950 1.00 2.00 C ATOM 178 CZ TYR A 11 -24.183 -66.699 13.099 1.00 2.00 C ATOM 179 OH TYR A 11 -22.892 -67.031 13.659 1.00 1.85 O ATOM 0 H TYR A 11 -27.977 -63.914 12.336 1.00 2.23 H new ATOM 0 HA TYR A 11 -27.530 -64.629 9.598 1.00 2.86 H new ATOM 0 HB2 TYR A 11 -28.824 -66.228 11.846 1.00 2.67 H new ATOM 0 HB3 TYR A 11 -28.024 -66.877 10.428 1.00 2.67 H new ATOM 0 HD1 TYR A 11 -27.597 -67.151 13.567 1.00 2.00 H new ATOM 0 HD2 TYR A 11 -25.477 -64.997 10.477 1.00 2.00 H new ATOM 0 HE1 TYR A 11 -25.372 -67.930 14.459 1.00 2.00 H new ATOM 0 HE2 TYR A 11 -23.315 -65.531 11.517 1.00 2.00 H new ATOM 0 HH TYR A 11 -22.189 -66.568 13.157 1.00 1.85 H new ATOM 189 N ILE A 12 -30.638 -64.108 10.156 1.00 2.23 N ATOM 190 CA ILE A 12 -31.801 -63.781 9.383 1.00 2.86 C ATOM 191 C ILE A 12 -31.550 -62.681 8.303 1.00 2.04 C ATOM 192 O ILE A 12 -32.012 -62.826 7.133 1.00 1.52 O ATOM 193 CB ILE A 12 -32.904 -63.367 10.325 1.00 2.67 C ATOM 194 CG1 ILE A 12 -33.188 -64.508 11.391 1.00 2.46 C ATOM 195 CG2 ILE A 12 -34.200 -63.122 9.507 1.00 2.46 C ATOM 196 CD1 ILE A 12 -34.206 -64.141 12.443 1.00 2.44 C ATOM 0 H ILE A 12 -30.704 -63.847 11.140 1.00 2.23 H new ATOM 0 HA ILE A 12 -32.086 -64.672 8.823 1.00 2.86 H new ATOM 0 HB ILE A 12 -32.597 -62.460 10.846 1.00 2.67 H new ATOM 0 HG12 ILE A 12 -33.531 -65.400 10.867 1.00 2.46 H new ATOM 0 HG13 ILE A 12 -32.252 -64.768 11.884 1.00 2.46 H new ATOM 0 HG21 ILE A 12 -35.004 -62.822 10.180 1.00 2.46 H new ATOM 0 HG22 ILE A 12 -34.025 -62.333 8.776 1.00 2.46 H new ATOM 0 HG23 ILE A 12 -34.483 -64.039 8.990 1.00 2.46 H new ATOM 0 HD11 ILE A 12 -34.338 -64.978 13.129 1.00 2.44 H new ATOM 0 HD12 ILE A 12 -33.859 -63.269 12.997 1.00 2.44 H new ATOM 0 HD13 ILE A 12 -35.158 -63.911 11.964 1.00 2.44 H new ATOM 208 N ILE A 13 -30.921 -61.587 8.657 1.00 2.23 N ATOM 209 CA ILE A 13 -30.509 -60.627 7.638 1.00 2.86 C ATOM 210 C ILE A 13 -29.667 -61.173 6.493 1.00 2.04 C ATOM 211 O ILE A 13 -29.920 -60.714 5.384 1.00 1.52 O ATOM 212 CB ILE A 13 -29.792 -59.427 8.307 1.00 2.67 C ATOM 213 CG1 ILE A 13 -30.735 -58.699 9.286 1.00 2.46 C ATOM 214 CG2 ILE A 13 -29.174 -58.417 7.198 1.00 2.46 C ATOM 215 CD1 ILE A 13 -29.970 -57.903 10.301 1.00 2.44 C ATOM 0 H ILE A 13 -30.683 -61.334 9.616 1.00 2.23 H new ATOM 0 HA ILE A 13 -31.439 -60.320 7.159 1.00 2.86 H new ATOM 0 HB ILE A 13 -28.954 -59.814 8.887 1.00 2.67 H new ATOM 0 HG12 ILE A 13 -31.398 -58.037 8.729 1.00 2.46 H new ATOM 0 HG13 ILE A 13 -31.366 -59.428 9.795 1.00 2.46 H new ATOM 0 HG21 ILE A 13 -28.678 -57.586 7.699 1.00 2.46 H new ATOM 0 HG22 ILE A 13 -28.452 -58.952 6.581 1.00 2.46 H new ATOM 0 HG23 ILE A 13 -29.976 -58.034 6.568 1.00 2.46 H new ATOM 0 HD11 ILE A 13 -30.668 -57.404 10.973 1.00 2.44 H new ATOM 0 HD12 ILE A 13 -29.326 -58.569 10.875 1.00 2.44 H new ATOM 0 HD13 ILE A 13 -29.359 -57.157 9.793 1.00 2.44 H new ATOM 227 N ILE A 14 -28.746 -62.159 6.676 1.00 2.23 N ATOM 228 CA ILE A 14 -27.954 -62.740 5.663 1.00 2.86 C ATOM 229 C ILE A 14 -28.753 -63.747 4.901 1.00 2.04 C ATOM 230 O ILE A 14 -28.586 -64.024 3.677 1.00 1.52 O ATOM 231 CB ILE A 14 -26.611 -63.296 6.041 1.00 2.67 C ATOM 232 CG1 ILE A 14 -26.620 -64.469 7.056 1.00 2.46 C ATOM 233 CG2 ILE A 14 -25.682 -62.152 6.385 1.00 2.46 C ATOM 234 CD1 ILE A 14 -25.226 -64.999 7.414 1.00 2.44 C ATOM 0 H ILE A 14 -28.560 -62.559 7.596 1.00 2.23 H new ATOM 0 HA ILE A 14 -27.682 -61.886 5.042 1.00 2.86 H new ATOM 0 HB ILE A 14 -26.214 -63.810 5.166 1.00 2.67 H new ATOM 0 HG12 ILE A 14 -27.118 -64.142 7.969 1.00 2.46 H new ATOM 0 HG13 ILE A 14 -27.213 -65.286 6.645 1.00 2.46 H new ATOM 0 HG21 ILE A 14 -24.704 -62.547 6.661 1.00 2.46 H new ATOM 0 HG22 ILE A 14 -25.577 -61.496 5.521 1.00 2.46 H new ATOM 0 HG23 ILE A 14 -26.094 -61.588 7.222 1.00 2.46 H new ATOM 0 HD11 ILE A 14 -25.320 -65.817 8.128 1.00 2.44 H new ATOM 0 HD12 ILE A 14 -24.731 -65.360 6.512 1.00 2.44 H new ATOM 0 HD13 ILE A 14 -24.635 -64.197 7.856 1.00 2.44 H new ATOM 246 N SER A 15 -29.783 -64.392 5.573 1.00 2.23 N ATOM 247 CA SER A 15 -30.786 -65.224 4.823 1.00 2.86 C ATOM 248 C SER A 15 -31.672 -64.512 3.901 1.00 2.04 C ATOM 249 O SER A 15 -32.007 -65.072 2.867 1.00 1.52 O ATOM 250 CB SER A 15 -31.740 -66.062 5.702 1.00 2.67 C ATOM 251 OG SER A 15 -30.905 -66.786 6.636 1.00 1.64 O ATOM 0 H SER A 15 -29.929 -64.351 6.582 1.00 2.23 H new ATOM 0 HA SER A 15 -30.085 -65.851 4.271 1.00 2.86 H new ATOM 0 HB2 SER A 15 -32.446 -65.421 6.229 1.00 2.67 H new ATOM 0 HB3 SER A 15 -32.327 -66.749 5.092 1.00 2.67 H new ATOM 0 HG SER A 15 -30.468 -66.153 7.243 1.00 1.64 H new ATOM 257 N PHE A 16 -32.102 -63.275 4.248 1.00 2.23 N ATOM 258 CA PHE A 16 -32.777 -62.287 3.433 1.00 2.86 C ATOM 259 C PHE A 16 -31.915 -61.817 2.307 1.00 2.04 C ATOM 260 O PHE A 16 -32.425 -61.740 1.193 1.00 1.52 O ATOM 261 CB PHE A 16 -33.127 -60.986 4.269 1.00 2.67 C ATOM 262 CG PHE A 16 -34.256 -61.054 5.184 1.00 2.46 C ATOM 263 CD1 PHE A 16 -34.241 -60.133 6.250 1.00 2.00 C ATOM 264 CD2 PHE A 16 -35.410 -61.883 5.033 1.00 2.00 C ATOM 265 CE1 PHE A 16 -35.381 -60.074 7.134 1.00 2.00 C ATOM 266 CE2 PHE A 16 -36.455 -61.926 5.989 1.00 2.00 C ATOM 267 CZ PHE A 16 -36.389 -61.025 7.067 1.00 2.00 C ATOM 0 H PHE A 16 -31.963 -62.931 5.198 1.00 2.23 H new ATOM 0 HA PHE A 16 -33.676 -62.782 3.065 1.00 2.86 H new ATOM 0 HB2 PHE A 16 -32.244 -60.710 4.846 1.00 2.67 H new ATOM 0 HB3 PHE A 16 -33.314 -60.175 3.565 1.00 2.67 H new ATOM 0 HD1 PHE A 16 -33.392 -59.483 6.403 1.00 2.00 H new ATOM 0 HD2 PHE A 16 -35.489 -62.503 4.153 1.00 2.00 H new ATOM 0 HE1 PHE A 16 -35.450 -59.277 7.859 1.00 2.00 H new ATOM 0 HE2 PHE A 16 -37.273 -62.625 5.893 1.00 2.00 H new ATOM 0 HZ PHE A 16 -37.131 -61.074 7.851 1.00 2.00 H new ATOM 277 N LEU A 17 -30.624 -61.462 2.550 1.00 2.23 N ATOM 278 CA LEU A 17 -29.822 -60.773 1.570 1.00 2.86 C ATOM 279 C LEU A 17 -29.761 -61.397 0.182 1.00 2.04 C ATOM 280 O LEU A 17 -29.816 -60.788 -0.874 1.00 1.52 O ATOM 281 CB LEU A 17 -28.351 -60.601 2.126 1.00 2.67 C ATOM 282 CG LEU A 17 -27.416 -59.622 1.493 1.00 2.46 C ATOM 283 CD1 LEU A 17 -27.878 -58.149 1.586 1.00 2.44 C ATOM 284 CD2 LEU A 17 -26.074 -59.709 2.275 1.00 2.44 C ATOM 0 H LEU A 17 -30.139 -61.654 3.427 1.00 2.23 H new ATOM 0 HA LEU A 17 -30.329 -59.819 1.423 1.00 2.86 H new ATOM 0 HB2 LEU A 17 -28.433 -60.334 3.180 1.00 2.67 H new ATOM 0 HB3 LEU A 17 -27.873 -61.579 2.082 1.00 2.67 H new ATOM 0 HG LEU A 17 -27.350 -59.881 0.436 1.00 2.46 H new ATOM 0 HD11 LEU A 17 -27.143 -57.506 1.102 1.00 2.44 H new ATOM 0 HD12 LEU A 17 -28.841 -58.038 1.088 1.00 2.44 H new ATOM 0 HD13 LEU A 17 -27.976 -57.864 2.633 1.00 2.44 H new ATOM 0 HD21 LEU A 17 -25.357 -59.009 1.846 1.00 2.44 H new ATOM 0 HD22 LEU A 17 -26.246 -59.458 3.322 1.00 2.44 H new ATOM 0 HD23 LEU A 17 -25.677 -60.722 2.206 1.00 2.44 H new ATOM 296 N ILE A 18 -29.738 -62.740 0.171 1.00 2.23 N ATOM 297 CA ILE A 18 -29.764 -63.533 -1.043 1.00 2.86 C ATOM 298 C ILE A 18 -31.143 -63.659 -1.753 1.00 2.04 C ATOM 299 O ILE A 18 -31.129 -64.042 -2.949 1.00 1.52 O ATOM 300 CB ILE A 18 -29.095 -64.908 -0.880 1.00 2.67 C ATOM 301 CG1 ILE A 18 -29.470 -65.529 0.457 1.00 2.46 C ATOM 302 CG2 ILE A 18 -27.596 -64.547 -0.789 1.00 2.46 C ATOM 303 CD1 ILE A 18 -29.239 -67.031 0.590 1.00 2.44 C ATOM 0 H ILE A 18 -29.700 -63.301 1.022 1.00 2.23 H new ATOM 0 HA ILE A 18 -29.159 -62.934 -1.723 1.00 2.86 H new ATOM 0 HB ILE A 18 -29.372 -65.598 -1.677 1.00 2.67 H new ATOM 0 HG12 ILE A 18 -28.904 -65.025 1.240 1.00 2.46 H new ATOM 0 HG13 ILE A 18 -30.524 -65.326 0.645 1.00 2.46 H new ATOM 0 HG21 ILE A 18 -27.009 -65.458 -0.670 1.00 2.46 H new ATOM 0 HG22 ILE A 18 -27.289 -64.035 -1.701 1.00 2.46 H new ATOM 0 HG23 ILE A 18 -27.430 -63.894 0.068 1.00 2.46 H new ATOM 0 HD11 ILE A 18 -29.543 -67.359 1.584 1.00 2.44 H new ATOM 0 HD12 ILE A 18 -29.827 -67.558 -0.161 1.00 2.44 H new ATOM 0 HD13 ILE A 18 -28.182 -67.251 0.443 1.00 2.44 H new ATOM 315 N VAL A 19 -32.274 -63.372 -1.103 1.00 2.23 N ATOM 316 CA VAL A 19 -33.465 -63.386 -1.840 1.00 2.86 C ATOM 317 C VAL A 19 -33.672 -61.981 -2.505 1.00 2.04 C ATOM 318 O VAL A 19 -34.074 -61.875 -3.647 1.00 1.52 O ATOM 319 CB VAL A 19 -34.617 -63.591 -0.944 1.00 2.67 C ATOM 320 CG1 VAL A 19 -35.926 -63.610 -1.830 1.00 2.46 C ATOM 321 CG2 VAL A 19 -34.493 -65.011 -0.402 1.00 2.46 C ATOM 0 H VAL A 19 -32.356 -63.141 -0.113 1.00 2.23 H new ATOM 0 HA VAL A 19 -33.399 -64.184 -2.579 1.00 2.86 H new ATOM 0 HB VAL A 19 -34.650 -62.825 -0.169 1.00 2.67 H new ATOM 0 HG11 VAL A 19 -36.796 -63.761 -1.191 1.00 2.46 H new ATOM 0 HG12 VAL A 19 -36.023 -62.661 -2.357 1.00 2.46 H new ATOM 0 HG13 VAL A 19 -35.863 -64.422 -2.554 1.00 2.46 H new ATOM 0 HG21 VAL A 19 -35.325 -65.217 0.271 1.00 2.46 H new ATOM 0 HG22 VAL A 19 -34.512 -65.719 -1.230 1.00 2.46 H new ATOM 0 HG23 VAL A 19 -33.553 -65.112 0.141 1.00 2.46 H new ATOM 331 N VAL A 20 -33.195 -60.927 -1.831 1.00 2.23 N ATOM 332 CA VAL A 20 -32.976 -59.595 -2.331 1.00 2.86 C ATOM 333 C VAL A 20 -32.163 -59.553 -3.628 1.00 2.04 C ATOM 334 O VAL A 20 -32.513 -58.933 -4.637 1.00 1.52 O ATOM 335 CB VAL A 20 -32.288 -58.618 -1.344 1.00 2.67 C ATOM 336 CG1 VAL A 20 -32.238 -57.166 -1.929 1.00 2.46 C ATOM 337 CG2 VAL A 20 -32.950 -58.514 0.016 1.00 2.46 C ATOM 0 H VAL A 20 -32.937 -61.007 -0.847 1.00 2.23 H new ATOM 0 HA VAL A 20 -34.000 -59.262 -2.502 1.00 2.86 H new ATOM 0 HB VAL A 20 -31.294 -59.046 -1.211 1.00 2.67 H new ATOM 0 HG11 VAL A 20 -31.750 -56.503 -1.215 1.00 2.46 H new ATOM 0 HG12 VAL A 20 -31.677 -57.169 -2.863 1.00 2.46 H new ATOM 0 HG13 VAL A 20 -33.252 -56.814 -2.116 1.00 2.46 H new ATOM 0 HG21 VAL A 20 -32.398 -57.808 0.636 1.00 2.46 H new ATOM 0 HG22 VAL A 20 -33.976 -58.166 -0.104 1.00 2.46 H new ATOM 0 HG23 VAL A 20 -32.952 -59.493 0.495 1.00 2.46 H new ATOM 347 N ASN A 21 -30.917 -60.200 -3.585 1.00 2.23 N ATOM 348 CA ASN A 21 -30.046 -60.355 -4.754 1.00 2.86 C ATOM 349 C ASN A 21 -30.709 -61.101 -5.856 1.00 2.04 C ATOM 350 O ASN A 21 -30.532 -60.679 -7.009 1.00 1.52 O ATOM 351 CB ASN A 21 -28.744 -61.037 -4.476 1.00 2.67 C ATOM 352 CG ASN A 21 -27.753 -60.088 -3.861 1.00 1.98 C ATOM 353 OD1 ASN A 21 -27.193 -59.250 -4.563 1.00 1.42 O ATOM 354 ND2 ASN A 21 -27.434 -60.215 -2.543 1.00 2.15 N ATOM 0 H ASN A 21 -30.532 -60.608 -2.733 1.00 2.23 H new ATOM 0 HA ASN A 21 -29.841 -59.325 -5.047 1.00 2.86 H new ATOM 0 HB2 ASN A 21 -28.908 -61.880 -3.805 1.00 2.67 H new ATOM 0 HB3 ASN A 21 -28.337 -61.441 -5.403 1.00 2.67 H new ATOM 0 HD21 ASN A 21 -26.724 -59.611 -2.130 1.00 2.15 H new ATOM 0 HD22 ASN A 21 -27.905 -60.914 -1.969 1.00 2.15 H new ATOM 361 N MET A 22 -31.485 -62.148 -5.585 1.00 2.23 N ATOM 362 CA MET A 22 -32.244 -62.871 -6.619 1.00 2.86 C ATOM 363 C MET A 22 -33.282 -62.035 -7.274 1.00 2.04 C ATOM 364 O MET A 22 -33.317 -61.985 -8.476 1.00 1.52 O ATOM 365 CB MET A 22 -32.779 -64.210 -6.088 1.00 2.67 C ATOM 366 CG MET A 22 -31.755 -65.349 -6.251 1.00 2.46 C ATOM 367 SD MET A 22 -32.365 -66.851 -5.437 1.00 2.00 S ATOM 368 CE MET A 22 -30.684 -67.544 -5.259 1.00 2.10 C ATOM 0 H MET A 22 -31.610 -62.524 -4.645 1.00 2.23 H new ATOM 0 HA MET A 22 -31.543 -63.112 -7.419 1.00 2.86 H new ATOM 0 HB2 MET A 22 -33.038 -64.104 -5.035 1.00 2.67 H new ATOM 0 HB3 MET A 22 -33.696 -64.469 -6.617 1.00 2.67 H new ATOM 0 HG2 MET A 22 -31.581 -65.544 -7.309 1.00 2.46 H new ATOM 0 HG3 MET A 22 -30.799 -65.054 -5.819 1.00 2.46 H new ATOM 0 HE1 MET A 22 -30.742 -68.523 -4.783 1.00 2.10 H new ATOM 0 HE2 MET A 22 -30.226 -67.646 -6.243 1.00 2.10 H new ATOM 0 HE3 MET A 22 -30.079 -66.877 -4.645 1.00 2.10 H new ATOM 378 N TYR A 23 -34.070 -61.218 -6.557 1.00 2.23 N ATOM 379 CA TYR A 23 -34.954 -60.201 -7.060 1.00 2.86 C ATOM 380 C TYR A 23 -34.264 -59.154 -7.957 1.00 2.04 C ATOM 381 O TYR A 23 -34.693 -58.982 -9.058 1.00 1.52 O ATOM 382 CB TYR A 23 -35.709 -59.558 -5.873 1.00 2.67 C ATOM 383 CG TYR A 23 -36.869 -58.672 -6.316 1.00 2.46 C ATOM 384 CD1 TYR A 23 -36.686 -57.237 -6.616 1.00 2.00 C ATOM 385 CD2 TYR A 23 -38.052 -59.224 -6.608 1.00 2.00 C ATOM 386 CE1 TYR A 23 -37.783 -56.601 -7.222 1.00 2.00 C ATOM 387 CE2 TYR A 23 -39.096 -58.578 -7.238 1.00 2.00 C ATOM 388 CZ TYR A 23 -38.929 -57.180 -7.553 1.00 2.00 C ATOM 389 OH TYR A 23 -39.987 -56.430 -8.198 1.00 1.85 O ATOM 0 H TYR A 23 -34.094 -61.270 -5.539 1.00 2.23 H new ATOM 0 HA TYR A 23 -35.669 -60.684 -7.726 1.00 2.86 H new ATOM 0 HB2 TYR A 23 -36.088 -60.345 -5.221 1.00 2.67 H new ATOM 0 HB3 TYR A 23 -35.010 -58.965 -5.283 1.00 2.67 H new ATOM 0 HD1 TYR A 23 -35.771 -56.712 -6.385 1.00 2.00 H new ATOM 0 HD2 TYR A 23 -38.202 -60.256 -6.329 1.00 2.00 H new ATOM 0 HE1 TYR A 23 -37.684 -55.547 -7.437 1.00 2.00 H new ATOM 0 HE2 TYR A 23 -40.007 -59.101 -7.487 1.00 2.00 H new ATOM 0 HH TYR A 23 -40.751 -57.020 -8.366 1.00 1.85 H new ATOM 399 N ILE A 24 -33.075 -58.724 -7.610 1.00 2.23 N ATOM 400 CA ILE A 24 -32.286 -57.878 -8.468 1.00 2.86 C ATOM 401 C ILE A 24 -31.820 -58.678 -9.731 1.00 2.04 C ATOM 402 O ILE A 24 -31.891 -58.196 -10.846 1.00 1.52 O ATOM 403 CB ILE A 24 -31.096 -57.345 -7.713 1.00 2.67 C ATOM 404 CG1 ILE A 24 -31.563 -56.414 -6.586 1.00 2.46 C ATOM 405 CG2 ILE A 24 -30.100 -56.581 -8.705 1.00 2.46 C ATOM 406 CD1 ILE A 24 -30.347 -55.887 -5.847 1.00 2.44 C ATOM 0 H ILE A 24 -32.628 -58.952 -6.722 1.00 2.23 H new ATOM 0 HA ILE A 24 -32.896 -57.036 -8.796 1.00 2.86 H new ATOM 0 HB ILE A 24 -30.556 -58.182 -7.270 1.00 2.67 H new ATOM 0 HG12 ILE A 24 -32.142 -55.587 -6.996 1.00 2.46 H new ATOM 0 HG13 ILE A 24 -32.217 -56.952 -5.900 1.00 2.46 H new ATOM 0 HG21 ILE A 24 -29.246 -56.202 -8.143 1.00 2.46 H new ATOM 0 HG22 ILE A 24 -29.752 -57.271 -9.473 1.00 2.46 H new ATOM 0 HG23 ILE A 24 -30.623 -55.748 -9.175 1.00 2.46 H new ATOM 0 HD11 ILE A 24 -30.668 -55.224 -5.044 1.00 2.44 H new ATOM 0 HD12 ILE A 24 -29.787 -56.722 -5.426 1.00 2.44 H new ATOM 0 HD13 ILE A 24 -29.711 -55.336 -6.540 1.00 2.44 H new ATOM 418 N ALA A 25 -31.384 -59.938 -9.638 1.00 2.23 N ATOM 419 CA ALA A 25 -30.868 -60.722 -10.729 1.00 2.86 C ATOM 420 C ALA A 25 -31.957 -60.944 -11.850 1.00 2.04 C ATOM 421 O ALA A 25 -31.631 -60.883 -13.057 1.00 1.52 O ATOM 422 CB ALA A 25 -30.339 -62.079 -10.137 1.00 2.67 C ATOM 0 H ALA A 25 -31.388 -60.448 -8.755 1.00 2.23 H new ATOM 0 HA ALA A 25 -30.049 -60.194 -11.217 1.00 2.86 H new ATOM 0 HB1 ALA A 25 -29.941 -62.696 -10.942 1.00 2.67 H new ATOM 0 HB2 ALA A 25 -29.551 -61.877 -9.411 1.00 2.67 H new ATOM 0 HB3 ALA A 25 -31.158 -62.606 -9.647 1.00 2.67 H new ATOM 428 N ILE A 26 -33.184 -61.237 -11.463 1.00 2.23 N ATOM 429 CA ILE A 26 -34.224 -61.434 -12.417 1.00 2.86 C ATOM 430 C ILE A 26 -34.667 -60.091 -13.119 1.00 2.04 C ATOM 431 O ILE A 26 -34.823 -60.090 -14.400 1.00 1.52 O ATOM 432 CB ILE A 26 -35.385 -62.143 -11.866 1.00 2.67 C ATOM 433 CG1 ILE A 26 -34.954 -63.387 -11.060 1.00 2.46 C ATOM 434 CG2 ILE A 26 -36.170 -62.666 -13.057 1.00 2.46 C ATOM 435 CD1 ILE A 26 -35.717 -63.505 -9.781 1.00 2.44 C ATOM 0 H ILE A 26 -33.471 -61.341 -10.490 1.00 2.23 H new ATOM 0 HA ILE A 26 -33.789 -62.078 -13.181 1.00 2.86 H new ATOM 0 HB ILE A 26 -35.946 -61.467 -11.220 1.00 2.67 H new ATOM 0 HG12 ILE A 26 -35.110 -64.283 -11.661 1.00 2.46 H new ATOM 0 HG13 ILE A 26 -33.887 -63.330 -10.844 1.00 2.46 H new ATOM 0 HG21 ILE A 26 -37.050 -63.205 -12.705 1.00 2.46 H new ATOM 0 HG22 ILE A 26 -36.483 -61.830 -13.682 1.00 2.46 H new ATOM 0 HG23 ILE A 26 -35.541 -63.339 -13.640 1.00 2.46 H new ATOM 0 HD11 ILE A 26 -35.387 -64.392 -9.241 1.00 2.44 H new ATOM 0 HD12 ILE A 26 -35.540 -62.621 -9.169 1.00 2.44 H new ATOM 0 HD13 ILE A 26 -36.782 -63.588 -9.999 1.00 2.44 H new ATOM 447 N ILE A 27 -34.838 -58.997 -12.374 1.00 2.23 N ATOM 448 CA ILE A 27 -35.256 -57.793 -13.099 1.00 2.86 C ATOM 449 C ILE A 27 -34.316 -57.269 -14.182 1.00 2.04 C ATOM 450 O ILE A 27 -34.773 -56.777 -15.186 1.00 1.52 O ATOM 451 CB ILE A 27 -35.530 -56.536 -12.222 1.00 2.67 C ATOM 452 CG1 ILE A 27 -34.382 -56.102 -11.268 1.00 2.46 C ATOM 453 CG2 ILE A 27 -36.817 -56.968 -11.449 1.00 2.46 C ATOM 454 CD1 ILE A 27 -34.764 -54.832 -10.364 1.00 2.44 C ATOM 0 H ILE A 27 -34.709 -58.914 -11.366 1.00 2.23 H new ATOM 0 HA ILE A 27 -36.165 -58.206 -13.536 1.00 2.86 H new ATOM 0 HB ILE A 27 -35.631 -55.638 -12.831 1.00 2.67 H new ATOM 0 HG12 ILE A 27 -34.121 -56.938 -10.619 1.00 2.46 H new ATOM 0 HG13 ILE A 27 -33.496 -55.868 -11.858 1.00 2.46 H new ATOM 0 HG21 ILE A 27 -37.128 -56.164 -10.782 1.00 2.46 H new ATOM 0 HG22 ILE A 27 -37.615 -57.179 -12.161 1.00 2.46 H new ATOM 0 HG23 ILE A 27 -36.607 -57.863 -10.864 1.00 2.46 H new ATOM 0 HD11 ILE A 27 -33.922 -54.578 -9.720 1.00 2.44 H new ATOM 0 HD12 ILE A 27 -34.997 -53.984 -11.008 1.00 2.44 H new ATOM 0 HD13 ILE A 27 -35.632 -55.071 -9.750 1.00 2.44 H new ATOM 466 N LEU A 28 -32.953 -57.312 -13.982 1.00 2.23 N ATOM 467 CA LEU A 28 -31.865 -56.984 -14.953 1.00 2.86 C ATOM 468 C LEU A 28 -32.031 -57.793 -16.268 1.00 2.04 C ATOM 469 O LEU A 28 -31.927 -57.216 -17.366 1.00 1.52 O ATOM 470 CB LEU A 28 -30.394 -57.143 -14.361 1.00 2.67 C ATOM 471 CG LEU A 28 -30.120 -56.272 -13.131 1.00 2.46 C ATOM 472 CD1 LEU A 28 -28.827 -56.784 -12.507 1.00 2.44 C ATOM 473 CD2 LEU A 28 -30.262 -54.779 -13.394 1.00 2.44 C ATOM 0 H LEU A 28 -32.570 -57.595 -13.080 1.00 2.23 H new ATOM 0 HA LEU A 28 -31.977 -55.922 -15.173 1.00 2.86 H new ATOM 0 HB2 LEU A 28 -30.231 -58.188 -14.097 1.00 2.67 H new ATOM 0 HB3 LEU A 28 -29.672 -56.894 -15.138 1.00 2.67 H new ATOM 0 HG LEU A 28 -30.894 -56.374 -12.370 1.00 2.46 H new ATOM 0 HD11 LEU A 28 -28.590 -56.191 -11.623 1.00 2.44 H new ATOM 0 HD12 LEU A 28 -28.950 -57.829 -12.221 1.00 2.44 H new ATOM 0 HD13 LEU A 28 -28.015 -56.698 -13.230 1.00 2.44 H new ATOM 0 HD21 LEU A 28 -30.053 -54.227 -12.478 1.00 2.44 H new ATOM 0 HD22 LEU A 28 -29.557 -54.477 -14.168 1.00 2.44 H new ATOM 0 HD23 LEU A 28 -31.278 -54.563 -13.724 1.00 2.44 H new ATOM 485 N GLU A 29 -32.288 -59.097 -16.181 1.00 2.23 N ATOM 486 CA GLU A 29 -32.610 -59.981 -17.284 1.00 2.86 C ATOM 487 C GLU A 29 -33.981 -59.590 -17.900 1.00 2.04 C ATOM 488 O GLU A 29 -34.127 -59.454 -19.087 1.00 1.52 O ATOM 489 CB GLU A 29 -32.602 -61.395 -16.711 1.00 2.67 C ATOM 490 CG GLU A 29 -32.576 -62.597 -17.775 1.00 2.77 C ATOM 491 CD GLU A 29 -31.453 -62.683 -18.779 1.00 1.98 C ATOM 492 OE1 GLU A 29 -31.763 -62.590 -20.001 1.00 1.40 O ATOM 493 OE2 GLU A 29 -30.236 -62.875 -18.475 1.00 1.40 O1- ATOM 0 H GLU A 29 -32.275 -59.586 -15.286 1.00 2.23 H new ATOM 0 HA GLU A 29 -31.889 -59.909 -18.098 1.00 2.86 H new ATOM 0 HB2 GLU A 29 -31.733 -61.495 -16.061 1.00 2.67 H new ATOM 0 HB3 GLU A 29 -33.485 -61.514 -16.083 1.00 2.67 H new ATOM 0 HG2 GLU A 29 -32.581 -63.530 -17.212 1.00 2.77 H new ATOM 0 HG3 GLU A 29 -33.511 -62.557 -18.335 1.00 2.77 H new ATOM 500 N ASN A 30 -35.016 -59.355 -17.132 1.00 2.23 N ATOM 501 CA ASN A 30 -36.365 -58.997 -17.583 1.00 2.86 C ATOM 502 C ASN A 30 -36.304 -57.596 -18.289 1.00 2.04 C ATOM 503 O ASN A 30 -36.967 -57.421 -19.287 1.00 1.52 O ATOM 504 CB ASN A 30 -37.223 -58.988 -16.333 1.00 2.67 C ATOM 505 CG ASN A 30 -38.700 -59.194 -16.690 1.00 1.98 C ATOM 506 OD1 ASN A 30 -39.186 -59.824 -17.620 1.00 1.42 O ATOM 507 ND2 ASN A 30 -39.514 -58.378 -15.894 1.00 2.15 N ATOM 0 H ASN A 30 -34.950 -59.408 -16.116 1.00 2.23 H new ATOM 0 HA ASN A 30 -36.783 -59.694 -18.310 1.00 2.86 H new ATOM 0 HB2 ASN A 30 -36.894 -59.775 -15.654 1.00 2.67 H new ATOM 0 HB3 ASN A 30 -37.099 -58.041 -15.807 1.00 2.67 H new ATOM 0 HD21 ASN A 30 -40.513 -58.308 -16.089 1.00 2.15 H new ATOM 0 HD22 ASN A 30 -39.108 -57.853 -15.119 1.00 2.15 H new ATOM 514 N PHE A 31 -35.491 -56.605 -17.769 1.00 2.23 N ATOM 515 CA PHE A 31 -35.285 -55.290 -18.434 1.00 2.86 C ATOM 516 C PHE A 31 -34.895 -55.388 -19.914 1.00 2.04 C ATOM 517 O PHE A 31 -35.246 -54.491 -20.686 1.00 1.52 O ATOM 518 CB PHE A 31 -34.239 -54.488 -17.675 1.00 2.67 C ATOM 519 CG PHE A 31 -34.752 -53.729 -16.393 1.00 2.46 C ATOM 520 CD1 PHE A 31 -33.873 -53.675 -15.354 1.00 2.00 C ATOM 521 CD2 PHE A 31 -36.056 -53.240 -16.240 1.00 2.00 C ATOM 522 CE1 PHE A 31 -34.256 -53.120 -14.114 1.00 2.00 C ATOM 523 CE2 PHE A 31 -36.446 -52.753 -14.964 1.00 2.00 C ATOM 524 CZ PHE A 31 -35.481 -52.550 -13.951 1.00 2.00 C ATOM 0 H PHE A 31 -34.977 -56.707 -16.894 1.00 2.23 H new ATOM 0 HA PHE A 31 -36.251 -54.785 -18.411 1.00 2.86 H new ATOM 0 HB2 PHE A 31 -33.437 -55.163 -17.377 1.00 2.67 H new ATOM 0 HB3 PHE A 31 -33.804 -53.757 -18.357 1.00 2.67 H new ATOM 0 HD1 PHE A 31 -32.872 -54.061 -15.480 1.00 2.00 H new ATOM 0 HD2 PHE A 31 -36.746 -53.234 -17.070 1.00 2.00 H new ATOM 0 HE1 PHE A 31 -33.567 -53.148 -13.283 1.00 2.00 H new ATOM 0 HE2 PHE A 31 -37.486 -52.537 -14.767 1.00 2.00 H new ATOM 0 HZ PHE A 31 -35.709 -51.961 -13.075 1.00 2.00 H new ATOM 534 N LYS A 32 -34.134 -56.441 -20.272 1.00 2.23 N ATOM 535 CA LYS A 32 -33.805 -56.771 -21.647 1.00 2.86 C ATOM 536 C LYS A 32 -34.968 -57.283 -22.485 1.00 2.04 C ATOM 537 O LYS A 32 -35.171 -56.868 -23.652 1.00 1.52 O ATOM 538 CB LYS A 32 -32.711 -57.875 -21.604 1.00 2.67 C ATOM 539 CG LYS A 32 -32.162 -58.123 -23.029 1.00 2.46 C ATOM 540 CD LYS A 32 -31.095 -59.190 -23.055 1.00 2.44 C ATOM 541 CE LYS A 32 -30.215 -59.208 -24.294 1.00 2.80 C ATOM 542 NZ LYS A 32 -29.210 -60.384 -24.290 1.00 2.13 N1+ ATOM 0 H LYS A 32 -33.731 -57.088 -19.594 1.00 2.23 H new ATOM 0 HA LYS A 32 -33.481 -55.847 -22.126 1.00 2.86 H new ATOM 0 HB2 LYS A 32 -31.901 -57.572 -20.940 1.00 2.67 H new ATOM 0 HB3 LYS A 32 -33.128 -58.797 -21.199 1.00 2.67 H new ATOM 0 HG2 LYS A 32 -32.981 -58.416 -23.686 1.00 2.46 H new ATOM 0 HG3 LYS A 32 -31.753 -57.194 -23.425 1.00 2.46 H new ATOM 0 HD2 LYS A 32 -30.457 -59.063 -22.180 1.00 2.44 H new ATOM 0 HD3 LYS A 32 -31.577 -60.163 -22.959 1.00 2.44 H new ATOM 0 HE2 LYS A 32 -30.844 -59.275 -25.182 1.00 2.80 H new ATOM 0 HE3 LYS A 32 -29.668 -58.267 -24.361 1.00 2.80 H new ATOM 0 HZ1 LYS A 32 -28.634 -60.351 -25.155 1.00 2.13 H new ATOM 0 HZ2 LYS A 32 -28.590 -60.308 -23.458 1.00 2.13 H new ATOM 0 HZ3 LYS A 32 -29.729 -61.284 -24.254 1.00 2.13 H new ATOM 556 N LYS A 33 -35.778 -58.198 -21.873 1.00 2.23 N ATOM 557 CA LYS A 33 -36.926 -58.865 -22.506 1.00 2.86 C ATOM 558 C LYS A 33 -38.191 -58.037 -22.755 1.00 2.04 C ATOM 559 O LYS A 33 -38.858 -58.049 -23.791 1.00 1.52 O ATOM 560 CB LYS A 33 -37.376 -60.127 -21.769 1.00 2.67 C ATOM 561 CG LYS A 33 -36.207 -61.153 -21.631 1.00 2.46 C ATOM 562 CD LYS A 33 -36.686 -62.341 -20.697 1.00 2.44 C ATOM 563 CE LYS A 33 -35.620 -63.421 -20.481 1.00 2.80 C ATOM 564 NZ LYS A 33 -36.315 -64.424 -19.653 1.00 2.13 N1+ ATOM 0 H LYS A 33 -35.636 -58.489 -20.906 1.00 2.23 H new ATOM 0 HA LYS A 33 -36.486 -59.084 -23.479 1.00 2.86 H new ATOM 0 HB2 LYS A 33 -37.746 -59.860 -20.779 1.00 2.67 H new ATOM 0 HB3 LYS A 33 -38.205 -60.588 -22.306 1.00 2.67 H new ATOM 0 HG2 LYS A 33 -35.920 -61.534 -22.611 1.00 2.46 H new ATOM 0 HG3 LYS A 33 -35.327 -60.669 -21.207 1.00 2.46 H new ATOM 0 HD2 LYS A 33 -36.981 -61.935 -19.729 1.00 2.44 H new ATOM 0 HD3 LYS A 33 -37.573 -62.800 -21.134 1.00 2.44 H new ATOM 0 HE2 LYS A 33 -35.280 -63.845 -21.426 1.00 2.80 H new ATOM 0 HE3 LYS A 33 -34.740 -63.022 -19.976 1.00 2.80 H new ATOM 0 HZ1 LYS A 33 -35.668 -65.212 -19.447 1.00 2.13 H new ATOM 0 HZ2 LYS A 33 -36.622 -63.986 -18.761 1.00 2.13 H new ATOM 0 HZ3 LYS A 33 -37.145 -64.783 -20.166 1.00 2.13 H new ATOM 578 N LYS A 34 -38.569 -57.231 -21.729 1.00 2.23 N ATOM 579 CA LYS A 34 -39.719 -56.276 -21.717 1.00 2.86 C ATOM 580 C LYS A 34 -39.418 -54.841 -22.123 1.00 2.04 C ATOM 581 O LYS A 34 -39.478 -53.887 -21.320 1.00 1.52 O ATOM 582 CB LYS A 34 -40.110 -56.207 -20.250 1.00 2.67 C ATOM 583 CG LYS A 34 -40.511 -57.595 -19.535 1.00 2.46 C ATOM 584 CD LYS A 34 -41.806 -58.100 -20.093 1.00 2.44 C ATOM 585 CE LYS A 34 -42.421 -59.315 -19.310 1.00 2.80 C ATOM 586 NZ LYS A 34 -43.633 -59.879 -19.960 1.00 2.13 N1+ ATOM 0 H LYS A 34 -38.060 -57.225 -20.845 1.00 2.23 H new ATOM 0 HA LYS A 34 -40.456 -56.639 -22.434 1.00 2.86 H new ATOM 0 HB2 LYS A 34 -39.279 -55.769 -19.698 1.00 2.67 H new ATOM 0 HB3 LYS A 34 -40.952 -55.521 -20.155 1.00 2.67 H new ATOM 0 HG2 LYS A 34 -39.725 -58.334 -19.690 1.00 2.46 H new ATOM 0 HG3 LYS A 34 -40.602 -57.447 -18.459 1.00 2.46 H new ATOM 0 HD2 LYS A 34 -42.528 -57.284 -20.098 1.00 2.44 H new ATOM 0 HD3 LYS A 34 -41.650 -58.394 -21.131 1.00 2.44 H new ATOM 0 HE2 LYS A 34 -41.668 -60.098 -19.218 1.00 2.80 H new ATOM 0 HE3 LYS A 34 -42.674 -58.996 -18.299 1.00 2.80 H new ATOM 0 HZ1 LYS A 34 -43.990 -60.676 -19.396 1.00 2.13 H new ATOM 0 HZ2 LYS A 34 -44.366 -59.144 -20.024 1.00 2.13 H new ATOM 0 HZ3 LYS A 34 -43.392 -60.212 -20.915 1.00 2.13 H new HETATM 600 N NH2 A 35 -39.093 -54.672 -23.416 1.00 2.23 N TER 603 NH2 A 35