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+ 151:sc= -0.0196 (180deg=-0.0702) 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 180:sc= 0.0597 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 90:sc= 1.23 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 53:sc= 1.29 USER MOD Single : A 21 ASN : amide:sc= -0.0393 K(o=-0.039,f=-2.1!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.455 X(o=0.45,f=-0.043) USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= 1.22 (180deg=0.467) 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 -33.721 -60.836 26.145 1.00 2.23 N ATOM 2 CA LYS A 1 -32.553 -59.942 26.329 1.00 2.86 C ATOM 3 C LYS A 1 -31.887 -59.560 24.950 1.00 2.04 C ATOM 4 O LYS A 1 -32.302 -60.081 23.925 1.00 1.52 O ATOM 5 CB LYS A 1 -31.554 -60.561 27.283 1.00 2.67 C ATOM 6 CG LYS A 1 -31.182 -62.090 27.069 1.00 2.46 C ATOM 7 CD LYS A 1 -30.383 -62.501 28.317 1.00 2.44 C ATOM 8 CE LYS A 1 -28.991 -61.829 28.512 1.00 2.80 C ATOM 9 NZ LYS A 1 -28.331 -62.365 29.742 1.00 2.13 N1+ ATOM 0 H1 LYS A 1 -33.830 -61.442 26.983 1.00 2.23 H new ATOM 0 H2 LYS A 1 -34.580 -60.263 26.018 1.00 2.23 H new ATOM 0 H3 LYS A 1 -33.574 -61.431 25.305 1.00 2.23 H new ATOM 0 HA LYS A 1 -32.908 -59.012 26.773 1.00 2.86 H new ATOM 0 HB2 LYS A 1 -30.633 -59.980 27.228 1.00 2.67 H new ATOM 0 HB3 LYS A 1 -31.942 -60.448 28.295 1.00 2.67 H new ATOM 0 HG2 LYS A 1 -32.079 -62.700 26.960 1.00 2.46 H new ATOM 0 HG3 LYS A 1 -30.591 -62.226 26.163 1.00 2.46 H new ATOM 0 HD2 LYS A 1 -30.991 -62.285 29.196 1.00 2.44 H new ATOM 0 HD3 LYS A 1 -30.238 -63.581 28.287 1.00 2.44 H new ATOM 0 HE2 LYS A 1 -28.363 -62.016 27.641 1.00 2.80 H new ATOM 0 HE3 LYS A 1 -29.108 -60.748 28.594 1.00 2.80 H new ATOM 0 HZ1 LYS A 1 -27.403 -61.911 29.864 1.00 2.13 H new ATOM 0 HZ2 LYS A 1 -28.926 -62.164 30.571 1.00 2.13 H new ATOM 0 HZ3 LYS A 1 -28.204 -63.393 29.648 1.00 2.13 H new ATOM 25 N LYS A 2 -30.813 -58.648 24.942 1.00 2.23 N ATOM 26 CA LYS A 2 -30.212 -58.116 23.691 1.00 2.86 C ATOM 27 C LYS A 2 -28.906 -58.776 23.336 1.00 2.04 C ATOM 28 O LYS A 2 -28.333 -58.515 22.302 1.00 1.52 O ATOM 29 CB LYS A 2 -29.945 -56.641 23.889 1.00 2.67 C ATOM 30 CG LYS A 2 -31.106 -55.763 24.356 1.00 2.46 C ATOM 31 CD LYS A 2 -30.925 -54.250 24.205 1.00 2.44 C ATOM 32 CE LYS A 2 -30.688 -53.829 22.800 1.00 2.80 C ATOM 33 NZ LYS A 2 -30.694 -52.371 22.619 1.00 2.13 N1+ ATOM 0 H LYS A 2 -30.376 -58.292 25.792 1.00 2.23 H new ATOM 0 HA LYS A 2 -30.915 -58.313 22.881 1.00 2.86 H new ATOM 0 HB2 LYS A 2 -29.137 -56.541 24.614 1.00 2.67 H new ATOM 0 HB3 LYS A 2 -29.578 -56.237 22.945 1.00 2.67 H new ATOM 0 HG2 LYS A 2 -31.999 -56.056 23.803 1.00 2.46 H new ATOM 0 HG3 LYS A 2 -31.296 -55.980 25.407 1.00 2.46 H new ATOM 0 HD2 LYS A 2 -31.813 -53.744 24.585 1.00 2.44 H new ATOM 0 HD3 LYS A 2 -30.086 -53.927 24.821 1.00 2.44 H new ATOM 0 HE2 LYS A 2 -29.729 -54.225 22.467 1.00 2.80 H new ATOM 0 HE3 LYS A 2 -31.454 -54.270 22.162 1.00 2.80 H new ATOM 0 HZ1 LYS A 2 -30.523 -52.145 21.618 1.00 2.13 H new ATOM 0 HZ2 LYS A 2 -31.617 -51.989 22.908 1.00 2.13 H new ATOM 0 HZ3 LYS A 2 -29.946 -51.946 23.203 1.00 2.13 H new ATOM 47 N LYS A 3 -28.424 -59.665 24.222 1.00 2.23 N ATOM 48 CA LYS A 3 -27.147 -60.370 24.086 1.00 2.86 C ATOM 49 C LYS A 3 -27.290 -61.806 23.604 1.00 2.04 C ATOM 50 O LYS A 3 -28.262 -62.444 24.034 1.00 1.52 O ATOM 51 CB LYS A 3 -26.351 -60.349 25.345 1.00 2.67 C ATOM 52 CG LYS A 3 -25.991 -58.857 25.773 1.00 2.46 C ATOM 53 CD LYS A 3 -24.966 -58.850 26.906 1.00 2.44 C ATOM 54 CE LYS A 3 -24.608 -57.341 27.289 1.00 2.80 C ATOM 55 NZ LYS A 3 -23.853 -56.604 26.279 1.00 2.13 N1+ ATOM 0 H LYS A 3 -28.928 -59.916 25.072 1.00 2.23 H new ATOM 0 HA LYS A 3 -26.612 -59.814 23.316 1.00 2.86 H new ATOM 0 HB2 LYS A 3 -26.914 -60.833 26.143 1.00 2.67 H new ATOM 0 HB3 LYS A 3 -25.434 -60.922 25.209 1.00 2.67 H new ATOM 0 HG2 LYS A 3 -25.595 -58.313 24.915 1.00 2.46 H new ATOM 0 HG3 LYS A 3 -26.895 -58.337 26.091 1.00 2.46 H new ATOM 0 HD2 LYS A 3 -25.365 -59.372 27.775 1.00 2.44 H new ATOM 0 HD3 LYS A 3 -24.066 -59.382 26.600 1.00 2.44 H new ATOM 0 HE2 LYS A 3 -25.535 -56.804 27.489 1.00 2.80 H new ATOM 0 HE3 LYS A 3 -24.035 -57.345 28.216 1.00 2.80 H new ATOM 0 HZ1 LYS A 3 -23.670 -55.638 26.619 1.00 2.13 H new ATOM 0 HZ2 LYS A 3 -22.949 -57.086 26.101 1.00 2.13 H new ATOM 0 HZ3 LYS A 3 -24.402 -56.562 25.397 1.00 2.13 H new ATOM 69 N GLY A 4 -26.406 -62.312 22.718 1.00 2.23 N ATOM 70 CA GLY A 4 -26.414 -63.687 22.191 1.00 2.38 C ATOM 71 C GLY A 4 -27.431 -63.806 21.040 1.00 2.04 C ATOM 72 O GLY A 4 -27.586 -64.783 20.377 1.00 1.52 O ATOM 0 H GLY A 4 -25.642 -61.752 22.339 1.00 2.23 H new ATOM 0 HA2 GLY A 4 -25.419 -63.955 21.837 1.00 2.38 H new ATOM 0 HA3 GLY A 4 -26.669 -64.388 22.986 1.00 2.38 H new ATOM 76 N ILE A 5 -28.073 -62.694 20.727 1.00 2.23 N ATOM 77 CA ILE A 5 -29.136 -62.605 19.634 1.00 2.86 C ATOM 78 C ILE A 5 -28.495 -62.012 18.368 1.00 2.04 C ATOM 79 O ILE A 5 -29.191 -61.841 17.380 1.00 1.52 O ATOM 80 CB ILE A 5 -30.453 -61.909 20.047 1.00 2.67 C ATOM 81 CG1 ILE A 5 -30.041 -60.504 20.520 1.00 2.46 C ATOM 82 CG2 ILE A 5 -31.239 -62.738 21.069 1.00 2.46 C ATOM 83 CD1 ILE A 5 -31.216 -59.421 20.537 1.00 2.44 C ATOM 0 H ILE A 5 -27.902 -61.806 21.199 1.00 2.23 H new ATOM 0 HA ILE A 5 -29.476 -63.619 19.426 1.00 2.86 H new ATOM 0 HB ILE A 5 -31.161 -61.818 19.223 1.00 2.67 H new ATOM 0 HG12 ILE A 5 -29.627 -60.583 21.525 1.00 2.46 H new ATOM 0 HG13 ILE A 5 -29.242 -60.140 19.874 1.00 2.46 H new ATOM 0 HG21 ILE A 5 -32.158 -62.214 21.333 1.00 2.46 H new ATOM 0 HG22 ILE A 5 -31.486 -63.708 20.638 1.00 2.46 H new ATOM 0 HG23 ILE A 5 -30.633 -62.882 21.964 1.00 2.46 H new ATOM 0 HD11 ILE A 5 -30.825 -58.465 20.885 1.00 2.44 H new ATOM 0 HD12 ILE A 5 -31.618 -59.304 19.530 1.00 2.44 H new ATOM 0 HD13 ILE A 5 -32.008 -59.754 21.207 1.00 2.44 H new ATOM 95 N CYS A 6 -27.215 -61.565 18.351 1.00 2.23 N ATOM 96 CA CYS A 6 -26.442 -61.011 17.243 1.00 2.86 C ATOM 97 C CYS A 6 -26.208 -61.956 16.136 1.00 2.04 C ATOM 98 O CYS A 6 -26.240 -61.482 15.040 1.00 1.52 O ATOM 99 CB CYS A 6 -25.004 -60.334 17.577 1.00 2.67 C ATOM 100 SG CYS A 6 -24.039 -61.331 18.815 1.00 2.00 S ATOM 0 H CYS A 6 -26.655 -61.592 19.203 1.00 2.23 H new ATOM 0 HA CYS A 6 -27.125 -60.210 16.960 1.00 2.86 H new ATOM 0 HB2 CYS A 6 -24.426 -60.238 16.658 1.00 2.67 H new ATOM 0 HB3 CYS A 6 -25.158 -59.326 17.963 1.00 2.67 H new ATOM 0 HG CYS A 6 -22.899 -60.750 19.046 1.00 2.00 H new ATOM 106 N PHE A 7 -26.049 -63.280 16.305 1.00 2.23 N ATOM 107 CA PHE A 7 -26.163 -64.239 15.249 1.00 2.86 C ATOM 108 C PHE A 7 -27.523 -64.334 14.603 1.00 2.04 C ATOM 109 O PHE A 7 -27.680 -64.601 13.419 1.00 1.52 O ATOM 110 CB PHE A 7 -25.792 -65.708 15.688 1.00 2.67 C ATOM 111 CG PHE A 7 -24.441 -65.822 16.479 1.00 2.46 C ATOM 112 CD1 PHE A 7 -23.340 -64.997 16.266 1.00 2.00 C ATOM 113 CD2 PHE A 7 -24.376 -66.766 17.567 1.00 2.00 C ATOM 114 CE1 PHE A 7 -22.265 -65.041 17.138 1.00 2.00 C ATOM 115 CE2 PHE A 7 -23.289 -66.818 18.469 1.00 2.00 C ATOM 116 CZ PHE A 7 -22.258 -65.896 18.287 1.00 2.00 C ATOM 0 H PHE A 7 -25.833 -63.699 17.210 1.00 2.23 H new ATOM 0 HA PHE A 7 -25.446 -63.843 14.530 1.00 2.86 H new ATOM 0 HB2 PHE A 7 -26.597 -66.104 16.307 1.00 2.67 H new ATOM 0 HB3 PHE A 7 -25.734 -66.337 14.800 1.00 2.67 H new ATOM 0 HD1 PHE A 7 -23.324 -64.324 15.422 1.00 2.00 H new ATOM 0 HD2 PHE A 7 -25.191 -67.462 17.698 1.00 2.00 H new ATOM 0 HE1 PHE A 7 -21.408 -64.413 16.946 1.00 2.00 H new ATOM 0 HE2 PHE A 7 -23.258 -67.544 19.268 1.00 2.00 H new ATOM 0 HZ PHE A 7 -21.458 -65.827 19.009 1.00 2.00 H new ATOM 126 N PHE A 8 -28.636 -64.265 15.370 1.00 2.23 N ATOM 127 CA PHE A 8 -29.986 -64.302 14.896 1.00 2.86 C ATOM 128 C PHE A 8 -30.377 -63.023 14.203 1.00 2.04 C ATOM 129 O PHE A 8 -31.065 -63.100 13.142 1.00 1.52 O ATOM 130 CB PHE A 8 -30.930 -64.697 16.013 1.00 2.67 C ATOM 131 CG PHE A 8 -30.703 -66.162 16.416 1.00 2.46 C ATOM 132 CD1 PHE A 8 -30.555 -67.178 15.416 1.00 2.00 C ATOM 133 CD2 PHE A 8 -30.397 -66.482 17.741 1.00 2.00 C ATOM 134 CE1 PHE A 8 -30.257 -68.460 15.811 1.00 2.00 C ATOM 135 CE2 PHE A 8 -30.015 -67.801 18.104 1.00 2.00 C ATOM 136 CZ PHE A 8 -30.085 -68.861 17.146 1.00 2.00 C ATOM 0 H PHE A 8 -28.583 -64.178 16.385 1.00 2.23 H new ATOM 0 HA PHE A 8 -30.062 -65.074 14.131 1.00 2.86 H new ATOM 0 HB2 PHE A 8 -30.775 -64.048 16.875 1.00 2.67 H new ATOM 0 HB3 PHE A 8 -31.962 -64.558 15.691 1.00 2.67 H new ATOM 0 HD1 PHE A 8 -30.676 -66.940 14.369 1.00 2.00 H new ATOM 0 HD2 PHE A 8 -30.452 -65.716 18.500 1.00 2.00 H new ATOM 0 HE1 PHE A 8 -30.148 -69.211 15.042 1.00 2.00 H new ATOM 0 HE2 PHE A 8 -29.670 -68.004 19.107 1.00 2.00 H new ATOM 0 HZ PHE A 8 -30.011 -69.900 17.430 1.00 2.00 H new ATOM 146 N CYS A 9 -29.902 -61.850 14.646 1.00 2.23 N ATOM 147 CA CYS A 9 -30.080 -60.630 13.889 1.00 2.86 C ATOM 148 C CYS A 9 -29.442 -60.696 12.506 1.00 2.04 C ATOM 149 O CYS A 9 -29.998 -60.441 11.488 1.00 1.52 O ATOM 150 CB CYS A 9 -29.643 -59.294 14.576 1.00 2.67 C ATOM 151 SG CYS A 9 -30.785 -58.810 15.784 1.00 2.00 S ATOM 0 H CYS A 9 -29.395 -61.734 15.523 1.00 2.23 H new ATOM 0 HA CYS A 9 -31.167 -60.587 13.816 1.00 2.86 H new ATOM 0 HB2 CYS A 9 -28.660 -59.420 15.030 1.00 2.67 H new ATOM 0 HB3 CYS A 9 -29.549 -58.509 13.825 1.00 2.67 H new ATOM 0 HG CYS A 9 -30.390 -57.700 16.335 1.00 2.00 H new ATOM 157 N SER A 10 -28.121 -61.130 12.503 1.00 2.23 N ATOM 158 CA SER A 10 -27.337 -61.287 11.288 1.00 2.86 C ATOM 159 C SER A 10 -27.963 -62.355 10.404 1.00 2.04 C ATOM 160 O SER A 10 -27.938 -62.147 9.185 1.00 1.52 O ATOM 161 CB SER A 10 -25.935 -61.857 11.631 1.00 2.67 C ATOM 162 OG SER A 10 -25.266 -60.944 12.535 1.00 1.64 O ATOM 0 H SER A 10 -27.610 -61.368 13.353 1.00 2.23 H new ATOM 0 HA SER A 10 -27.289 -60.311 10.805 1.00 2.86 H new ATOM 0 HB2 SER A 10 -26.030 -62.841 12.091 1.00 2.67 H new ATOM 0 HB3 SER A 10 -25.348 -61.986 10.722 1.00 2.67 H new ATOM 0 HG SER A 10 -25.473 -61.190 13.461 1.00 1.64 H new ATOM 168 N TYR A 11 -28.591 -63.388 10.930 1.00 2.23 N ATOM 169 CA TYR A 11 -29.356 -64.401 10.189 1.00 2.86 C ATOM 170 C TYR A 11 -30.592 -63.895 9.458 1.00 2.04 C ATOM 171 O TYR A 11 -30.828 -64.233 8.292 1.00 1.52 O ATOM 172 CB TYR A 11 -29.816 -65.599 11.147 1.00 2.67 C ATOM 173 CG TYR A 11 -30.549 -66.729 10.552 1.00 2.46 C ATOM 174 CD1 TYR A 11 -31.919 -66.849 10.854 1.00 2.00 C ATOM 175 CD2 TYR A 11 -29.859 -67.568 9.692 1.00 2.00 C ATOM 176 CE1 TYR A 11 -32.600 -67.895 10.186 1.00 2.00 C ATOM 177 CE2 TYR A 11 -30.614 -68.577 9.050 1.00 2.00 C ATOM 178 CZ TYR A 11 -31.963 -68.768 9.298 1.00 2.00 C ATOM 179 OH TYR A 11 -32.677 -69.763 8.764 1.00 1.85 O ATOM 0 H TYR A 11 -28.588 -63.562 11.935 1.00 2.23 H new ATOM 0 HA TYR A 11 -28.649 -64.735 9.429 1.00 2.86 H new ATOM 0 HB2 TYR A 11 -28.924 -65.999 11.630 1.00 2.67 H new ATOM 0 HB3 TYR A 11 -30.441 -65.175 11.933 1.00 2.67 H new ATOM 0 HD1 TYR A 11 -32.417 -66.188 11.548 1.00 2.00 H new ATOM 0 HD2 TYR A 11 -28.798 -67.457 9.521 1.00 2.00 H new ATOM 0 HE1 TYR A 11 -33.656 -68.024 10.370 1.00 2.00 H new ATOM 0 HE2 TYR A 11 -30.120 -69.223 8.339 1.00 2.00 H new ATOM 0 HH TYR A 11 -32.107 -70.290 8.165 1.00 1.85 H new ATOM 189 N ILE A 12 -31.385 -63.010 10.106 1.00 2.23 N ATOM 190 CA ILE A 12 -32.664 -62.509 9.552 1.00 2.86 C ATOM 191 C ILE A 12 -32.268 -61.551 8.410 1.00 2.04 C ATOM 192 O ILE A 12 -32.895 -61.534 7.330 1.00 1.52 O ATOM 193 CB ILE A 12 -33.463 -61.851 10.604 1.00 2.67 C ATOM 194 CG1 ILE A 12 -33.867 -62.695 11.833 1.00 2.46 C ATOM 195 CG2 ILE A 12 -34.753 -61.370 9.927 1.00 2.46 C ATOM 196 CD1 ILE A 12 -34.173 -61.815 13.085 1.00 2.44 C ATOM 0 H ILE A 12 -31.158 -62.625 11.023 1.00 2.23 H new ATOM 0 HA ILE A 12 -33.299 -63.309 9.172 1.00 2.86 H new ATOM 0 HB ILE A 12 -32.820 -61.073 11.015 1.00 2.67 H new ATOM 0 HG12 ILE A 12 -34.746 -63.291 11.588 1.00 2.46 H new ATOM 0 HG13 ILE A 12 -33.064 -63.393 12.070 1.00 2.46 H new ATOM 0 HG21 ILE A 12 -35.386 -60.873 10.662 1.00 2.46 H new ATOM 0 HG22 ILE A 12 -34.506 -60.670 9.128 1.00 2.46 H new ATOM 0 HG23 ILE A 12 -35.285 -62.225 9.509 1.00 2.46 H new ATOM 0 HD11 ILE A 12 -34.452 -62.456 13.921 1.00 2.44 H new ATOM 0 HD12 ILE A 12 -33.287 -61.238 13.350 1.00 2.44 H new ATOM 0 HD13 ILE A 12 -34.994 -61.135 12.860 1.00 2.44 H new ATOM 208 N ILE A 13 -31.221 -60.737 8.611 1.00 2.23 N ATOM 209 CA ILE A 13 -30.560 -59.916 7.571 1.00 2.86 C ATOM 210 C ILE A 13 -30.168 -60.688 6.368 1.00 2.04 C ATOM 211 O ILE A 13 -30.570 -60.412 5.266 1.00 1.52 O ATOM 212 CB ILE A 13 -29.340 -59.129 8.055 1.00 2.67 C ATOM 213 CG1 ILE A 13 -29.776 -58.189 9.243 1.00 2.46 C ATOM 214 CG2 ILE A 13 -28.543 -58.443 6.955 1.00 2.46 C ATOM 215 CD1 ILE A 13 -28.565 -57.522 10.026 1.00 2.44 C ATOM 0 H ILE A 13 -30.793 -60.624 9.530 1.00 2.23 H new ATOM 0 HA ILE A 13 -31.342 -59.203 7.308 1.00 2.86 H new ATOM 0 HB ILE A 13 -28.606 -59.840 8.436 1.00 2.67 H new ATOM 0 HG12 ILE A 13 -30.418 -57.401 8.850 1.00 2.46 H new ATOM 0 HG13 ILE A 13 -30.375 -58.767 9.947 1.00 2.46 H new ATOM 0 HG21 ILE A 13 -27.699 -57.911 7.395 1.00 2.46 H new ATOM 0 HG22 ILE A 13 -28.175 -59.190 6.252 1.00 2.46 H new ATOM 0 HG23 ILE A 13 -29.184 -57.735 6.429 1.00 2.46 H new ATOM 0 HD11 ILE A 13 -28.952 -56.892 10.826 1.00 2.44 H new ATOM 0 HD12 ILE A 13 -27.933 -58.302 10.452 1.00 2.44 H new ATOM 0 HD13 ILE A 13 -27.977 -56.914 9.338 1.00 2.44 H new ATOM 227 N ILE A 14 -29.317 -61.780 6.546 1.00 2.23 N ATOM 228 CA ILE A 14 -28.834 -62.697 5.501 1.00 2.86 C ATOM 229 C ILE A 14 -29.955 -63.421 4.808 1.00 2.04 C ATOM 230 O ILE A 14 -29.833 -63.528 3.565 1.00 1.52 O ATOM 231 CB ILE A 14 -27.701 -63.565 6.171 1.00 2.67 C ATOM 232 CG1 ILE A 14 -26.291 -62.973 6.450 1.00 2.46 C ATOM 233 CG2 ILE A 14 -27.490 -64.946 5.355 1.00 2.46 C ATOM 234 CD1 ILE A 14 -25.566 -62.458 5.204 1.00 2.44 C ATOM 0 H ILE A 14 -28.955 -62.026 7.467 1.00 2.23 H new ATOM 0 HA ILE A 14 -28.386 -62.181 4.651 1.00 2.86 H new ATOM 0 HB ILE A 14 -28.126 -63.669 7.170 1.00 2.67 H new ATOM 0 HG12 ILE A 14 -26.388 -62.155 7.164 1.00 2.46 H new ATOM 0 HG13 ILE A 14 -25.676 -63.738 6.924 1.00 2.46 H new ATOM 0 HG21 ILE A 14 -26.705 -65.533 5.831 1.00 2.46 H new ATOM 0 HG22 ILE A 14 -28.420 -65.515 5.356 1.00 2.46 H new ATOM 0 HG23 ILE A 14 -27.203 -64.721 4.328 1.00 2.46 H new ATOM 0 HD11 ILE A 14 -24.591 -62.062 5.488 1.00 2.44 H new ATOM 0 HD12 ILE A 14 -25.434 -63.276 4.496 1.00 2.44 H new ATOM 0 HD13 ILE A 14 -26.157 -61.668 4.740 1.00 2.44 H new ATOM 246 N SER A 15 -31.044 -63.804 5.495 1.00 2.23 N ATOM 247 CA SER A 15 -32.156 -64.573 4.935 1.00 2.86 C ATOM 248 C SER A 15 -32.804 -63.851 3.852 1.00 2.04 C ATOM 249 O SER A 15 -33.076 -64.428 2.820 1.00 1.52 O ATOM 250 CB SER A 15 -33.103 -65.062 6.028 1.00 2.67 C ATOM 251 OG SER A 15 -32.447 -65.881 7.003 1.00 1.64 O ATOM 0 H SER A 15 -31.174 -63.579 6.481 1.00 2.23 H new ATOM 0 HA SER A 15 -31.760 -65.480 4.478 1.00 2.86 H new ATOM 0 HB2 SER A 15 -33.552 -64.202 6.525 1.00 2.67 H new ATOM 0 HB3 SER A 15 -33.916 -65.627 5.572 1.00 2.67 H new ATOM 0 HG SER A 15 -31.666 -65.407 7.357 1.00 1.64 H new ATOM 257 N PHE A 16 -33.015 -62.570 4.062 1.00 2.23 N ATOM 258 CA PHE A 16 -33.540 -61.674 3.092 1.00 2.86 C ATOM 259 C PHE A 16 -32.483 -61.236 2.150 1.00 2.04 C ATOM 260 O PHE A 16 -32.784 -61.154 0.983 1.00 1.52 O ATOM 261 CB PHE A 16 -33.940 -60.418 3.880 1.00 2.67 C ATOM 262 CG PHE A 16 -35.105 -60.649 4.758 1.00 2.46 C ATOM 263 CD1 PHE A 16 -35.973 -61.761 4.730 1.00 2.00 C ATOM 264 CD2 PHE A 16 -35.312 -59.714 5.752 1.00 2.00 C ATOM 265 CE1 PHE A 16 -37.038 -61.890 5.713 1.00 2.00 C ATOM 266 CE2 PHE A 16 -36.377 -59.755 6.626 1.00 2.00 C ATOM 267 CZ PHE A 16 -37.243 -60.843 6.577 1.00 2.00 C ATOM 0 H PHE A 16 -32.812 -62.120 4.955 1.00 2.23 H new ATOM 0 HA PHE A 16 -34.350 -62.150 2.540 1.00 2.86 H new ATOM 0 HB2 PHE A 16 -33.095 -60.087 4.483 1.00 2.67 H new ATOM 0 HB3 PHE A 16 -34.169 -59.613 3.182 1.00 2.67 H new ATOM 0 HD1 PHE A 16 -35.846 -62.522 3.974 1.00 2.00 H new ATOM 0 HD2 PHE A 16 -34.601 -58.907 5.850 1.00 2.00 H new ATOM 0 HE1 PHE A 16 -37.647 -62.780 5.761 1.00 2.00 H new ATOM 0 HE2 PHE A 16 -36.536 -58.957 7.336 1.00 2.00 H new ATOM 0 HZ PHE A 16 -38.099 -60.864 7.236 1.00 2.00 H new ATOM 277 N LEU A 17 -31.228 -60.961 2.603 1.00 2.23 N ATOM 278 CA LEU A 17 -30.150 -60.671 1.618 1.00 2.86 C ATOM 279 C LEU A 17 -29.883 -61.683 0.511 1.00 2.04 C ATOM 280 O LEU A 17 -29.733 -61.206 -0.622 1.00 1.52 O ATOM 281 CB LEU A 17 -28.850 -60.412 2.327 1.00 2.67 C ATOM 282 CG LEU A 17 -27.773 -59.722 1.523 1.00 2.46 C ATOM 283 CD1 LEU A 17 -28.130 -58.377 0.847 1.00 2.44 C ATOM 284 CD2 LEU A 17 -26.510 -59.393 2.238 1.00 2.44 C ATOM 0 H LEU A 17 -30.949 -60.934 3.584 1.00 2.23 H new ATOM 0 HA LEU A 17 -30.551 -59.799 1.102 1.00 2.86 H new ATOM 0 HB2 LEU A 17 -29.057 -59.808 3.210 1.00 2.67 H new ATOM 0 HB3 LEU A 17 -28.456 -61.366 2.678 1.00 2.67 H new ATOM 0 HG LEU A 17 -27.653 -60.524 0.795 1.00 2.46 H new ATOM 0 HD11 LEU A 17 -27.262 -58.000 0.306 1.00 2.44 H new ATOM 0 HD12 LEU A 17 -28.954 -58.528 0.150 1.00 2.44 H new ATOM 0 HD13 LEU A 17 -28.425 -57.655 1.608 1.00 2.44 H new ATOM 0 HD21 LEU A 17 -25.821 -58.902 1.551 1.00 2.44 H new ATOM 0 HD22 LEU A 17 -26.727 -58.727 3.073 1.00 2.44 H new ATOM 0 HD23 LEU A 17 -26.056 -60.310 2.614 1.00 2.44 H new ATOM 296 N ILE A 18 -29.912 -63.018 0.795 1.00 2.23 N ATOM 297 CA ILE A 18 -29.860 -64.092 -0.198 1.00 2.86 C ATOM 298 C ILE A 18 -31.070 -63.998 -1.193 1.00 2.04 C ATOM 299 O ILE A 18 -30.856 -64.128 -2.428 1.00 1.52 O ATOM 300 CB ILE A 18 -29.689 -65.518 0.337 1.00 2.67 C ATOM 301 CG1 ILE A 18 -30.922 -65.952 1.232 1.00 2.46 C ATOM 302 CG2 ILE A 18 -28.459 -65.578 1.206 1.00 2.46 C ATOM 303 CD1 ILE A 18 -31.209 -67.475 1.332 1.00 2.44 C ATOM 0 H ILE A 18 -29.974 -63.368 1.751 1.00 2.23 H new ATOM 0 HA ILE A 18 -28.925 -63.908 -0.727 1.00 2.86 H new ATOM 0 HB ILE A 18 -29.609 -66.186 -0.521 1.00 2.67 H new ATOM 0 HG12 ILE A 18 -30.763 -65.569 2.240 1.00 2.46 H new ATOM 0 HG13 ILE A 18 -31.814 -65.462 0.842 1.00 2.46 H new ATOM 0 HG21 ILE A 18 -28.333 -66.591 1.589 1.00 2.46 H new ATOM 0 HG22 ILE A 18 -27.584 -65.301 0.618 1.00 2.46 H new ATOM 0 HG23 ILE A 18 -28.569 -64.886 2.041 1.00 2.46 H new ATOM 0 HD11 ILE A 18 -32.076 -67.641 1.972 1.00 2.44 H new ATOM 0 HD12 ILE A 18 -31.411 -67.873 0.338 1.00 2.44 H new ATOM 0 HD13 ILE A 18 -30.342 -67.981 1.757 1.00 2.44 H new ATOM 315 N VAL A 19 -32.301 -63.687 -0.748 1.00 2.23 N ATOM 316 CA VAL A 19 -33.510 -63.446 -1.429 1.00 2.86 C ATOM 317 C VAL A 19 -33.459 -62.177 -2.336 1.00 2.04 C ATOM 318 O VAL A 19 -33.756 -62.211 -3.509 1.00 1.52 O ATOM 319 CB VAL A 19 -34.767 -63.558 -0.568 1.00 2.67 C ATOM 320 CG1 VAL A 19 -36.033 -63.354 -1.391 1.00 2.46 C ATOM 321 CG2 VAL A 19 -34.778 -64.910 0.127 1.00 2.46 C ATOM 0 H VAL A 19 -32.450 -63.595 0.257 1.00 2.23 H new ATOM 0 HA VAL A 19 -33.611 -64.286 -2.117 1.00 2.86 H new ATOM 0 HB VAL A 19 -34.749 -62.767 0.182 1.00 2.67 H new ATOM 0 HG11 VAL A 19 -36.906 -63.441 -0.744 1.00 2.46 H new ATOM 0 HG12 VAL A 19 -36.016 -62.363 -1.846 1.00 2.46 H new ATOM 0 HG13 VAL A 19 -36.084 -64.111 -2.173 1.00 2.46 H new ATOM 0 HG21 VAL A 19 -35.673 -64.995 0.743 1.00 2.46 H new ATOM 0 HG22 VAL A 19 -34.775 -65.703 -0.620 1.00 2.46 H new ATOM 0 HG23 VAL A 19 -33.894 -65.002 0.758 1.00 2.46 H new ATOM 331 N VAL A 20 -33.096 -61.036 -1.759 1.00 2.23 N ATOM 332 CA VAL A 20 -32.768 -59.798 -2.466 1.00 2.86 C ATOM 333 C VAL A 20 -31.823 -59.922 -3.577 1.00 2.04 C ATOM 334 O VAL A 20 -32.156 -59.591 -4.701 1.00 1.52 O ATOM 335 CB VAL A 20 -32.467 -58.667 -1.467 1.00 2.67 C ATOM 336 CG1 VAL A 20 -32.030 -57.484 -2.364 1.00 2.46 C ATOM 337 CG2 VAL A 20 -33.629 -58.244 -0.536 1.00 2.46 C ATOM 0 H VAL A 20 -33.019 -60.942 -0.746 1.00 2.23 H new ATOM 0 HA VAL A 20 -33.668 -59.512 -3.011 1.00 2.86 H new ATOM 0 HB VAL A 20 -31.715 -59.010 -0.756 1.00 2.67 H new ATOM 0 HG11 VAL A 20 -31.792 -56.623 -1.740 1.00 2.46 H new ATOM 0 HG12 VAL A 20 -31.149 -57.770 -2.939 1.00 2.46 H new ATOM 0 HG13 VAL A 20 -32.840 -57.225 -3.046 1.00 2.46 H new ATOM 0 HG21 VAL A 20 -33.295 -57.441 0.121 1.00 2.46 H new ATOM 0 HG22 VAL A 20 -34.469 -57.895 -1.137 1.00 2.46 H new ATOM 0 HG23 VAL A 20 -33.943 -59.097 0.065 1.00 2.46 H new ATOM 347 N ASN A 21 -30.587 -60.483 -3.320 1.00 2.23 N ATOM 348 CA ASN A 21 -29.602 -60.686 -4.448 1.00 2.86 C ATOM 349 C ASN A 21 -30.108 -61.665 -5.518 1.00 2.04 C ATOM 350 O ASN A 21 -29.946 -61.363 -6.706 1.00 1.52 O ATOM 351 CB ASN A 21 -28.160 -61.068 -3.893 1.00 2.67 C ATOM 352 CG ASN A 21 -27.695 -59.823 -3.268 1.00 1.98 C ATOM 353 OD1 ASN A 21 -27.668 -58.666 -3.665 1.00 1.42 O ATOM 354 ND2 ASN A 21 -27.239 -59.969 -1.955 1.00 2.15 N ATOM 0 H ASN A 21 -30.264 -60.786 -2.401 1.00 2.23 H new ATOM 0 HA ASN A 21 -29.505 -59.729 -4.961 1.00 2.86 H new ATOM 0 HB2 ASN A 21 -28.210 -61.885 -3.173 1.00 2.67 H new ATOM 0 HB3 ASN A 21 -27.493 -61.389 -4.693 1.00 2.67 H new ATOM 0 HD21 ASN A 21 -26.927 -59.152 -1.430 1.00 2.15 H new ATOM 0 HD22 ASN A 21 -27.218 -60.892 -1.522 1.00 2.15 H new ATOM 361 N MET A 22 -30.917 -62.728 -5.200 1.00 2.23 N ATOM 362 CA MET A 22 -31.564 -63.571 -6.245 1.00 2.86 C ATOM 363 C MET A 22 -32.623 -62.760 -7.047 1.00 2.04 C ATOM 364 O MET A 22 -32.563 -62.705 -8.287 1.00 1.52 O ATOM 365 CB MET A 22 -32.209 -64.870 -5.580 1.00 2.67 C ATOM 366 CG MET A 22 -32.384 -66.044 -6.570 1.00 2.46 C ATOM 367 SD MET A 22 -33.037 -67.528 -5.707 1.00 2.00 S ATOM 368 CE MET A 22 -33.192 -68.684 -7.159 1.00 2.10 C ATOM 0 H MET A 22 -31.129 -63.012 -4.244 1.00 2.23 H new ATOM 0 HA MET A 22 -30.800 -63.891 -6.953 1.00 2.86 H new ATOM 0 HB2 MET A 22 -31.581 -65.195 -4.751 1.00 2.67 H new ATOM 0 HB3 MET A 22 -33.181 -64.610 -5.161 1.00 2.67 H new ATOM 0 HG2 MET A 22 -33.065 -65.753 -7.370 1.00 2.46 H new ATOM 0 HG3 MET A 22 -31.427 -66.279 -7.036 1.00 2.46 H new ATOM 0 HE1 MET A 22 -33.578 -69.645 -6.819 1.00 2.10 H new ATOM 0 HE2 MET A 22 -33.876 -68.257 -7.893 1.00 2.10 H new ATOM 0 HE3 MET A 22 -32.213 -68.828 -7.616 1.00 2.10 H new ATOM 378 N TYR A 23 -33.482 -61.981 -6.388 1.00 2.23 N ATOM 379 CA TYR A 23 -34.567 -61.213 -7.016 1.00 2.86 C ATOM 380 C TYR A 23 -34.113 -60.015 -7.873 1.00 2.04 C ATOM 381 O TYR A 23 -34.573 -59.862 -8.979 1.00 1.52 O ATOM 382 CB TYR A 23 -35.601 -60.865 -5.817 1.00 2.67 C ATOM 383 CG TYR A 23 -36.680 -59.973 -6.447 1.00 2.46 C ATOM 384 CD1 TYR A 23 -36.629 -58.531 -6.335 1.00 2.00 C ATOM 385 CD2 TYR A 23 -37.865 -60.491 -7.057 1.00 2.00 C ATOM 386 CE1 TYR A 23 -37.600 -57.721 -6.909 1.00 2.00 C ATOM 387 CE2 TYR A 23 -38.872 -59.677 -7.536 1.00 2.00 C ATOM 388 CZ TYR A 23 -38.726 -58.268 -7.489 1.00 2.00 C ATOM 389 OH TYR A 23 -39.802 -57.454 -7.850 1.00 1.85 O ATOM 0 H TYR A 23 -33.444 -61.861 -5.376 1.00 2.23 H new ATOM 0 HA TYR A 23 -35.064 -61.804 -7.785 1.00 2.86 H new ATOM 0 HB2 TYR A 23 -36.037 -61.773 -5.400 1.00 2.67 H new ATOM 0 HB3 TYR A 23 -35.095 -60.350 -5.000 1.00 2.67 H new ATOM 0 HD1 TYR A 23 -35.816 -58.073 -5.791 1.00 2.00 H new ATOM 0 HD2 TYR A 23 -37.977 -61.561 -7.147 1.00 2.00 H new ATOM 0 HE1 TYR A 23 -37.472 -56.649 -6.901 1.00 2.00 H new ATOM 0 HE2 TYR A 23 -39.771 -60.114 -7.946 1.00 2.00 H new ATOM 0 HH TYR A 23 -40.510 -58.004 -8.246 1.00 1.85 H new ATOM 399 N ILE A 24 -33.107 -59.252 -7.457 1.00 2.23 N ATOM 400 CA ILE A 24 -32.556 -58.188 -8.337 1.00 2.86 C ATOM 401 C ILE A 24 -31.964 -58.748 -9.642 1.00 2.04 C ATOM 402 O ILE A 24 -31.835 -58.086 -10.722 1.00 1.52 O ATOM 403 CB ILE A 24 -31.538 -57.147 -7.642 1.00 2.67 C ATOM 404 CG1 ILE A 24 -30.257 -57.895 -7.240 1.00 2.46 C ATOM 405 CG2 ILE A 24 -32.382 -56.517 -6.458 1.00 2.46 C ATOM 406 CD1 ILE A 24 -29.416 -57.125 -6.237 1.00 2.44 C ATOM 0 H ILE A 24 -32.657 -59.334 -6.545 1.00 2.23 H new ATOM 0 HA ILE A 24 -33.438 -57.594 -8.576 1.00 2.86 H new ATOM 0 HB ILE A 24 -31.175 -56.339 -8.278 1.00 2.67 H new ATOM 0 HG12 ILE A 24 -30.525 -58.863 -6.816 1.00 2.46 H new ATOM 0 HG13 ILE A 24 -29.662 -58.092 -8.132 1.00 2.46 H new ATOM 0 HG21 ILE A 24 -31.771 -55.791 -5.922 1.00 2.46 H new ATOM 0 HG22 ILE A 24 -33.263 -56.020 -6.864 1.00 2.46 H new ATOM 0 HG23 ILE A 24 -32.693 -57.306 -5.773 1.00 2.46 H new ATOM 0 HD11 ILE A 24 -28.525 -57.702 -5.990 1.00 2.44 H new ATOM 0 HD12 ILE A 24 -29.121 -56.168 -6.668 1.00 2.44 H new ATOM 0 HD13 ILE A 24 -29.998 -56.951 -5.332 1.00 2.44 H new ATOM 418 N ALA A 25 -31.367 -59.967 -9.599 1.00 2.23 N ATOM 419 CA ALA A 25 -30.779 -60.544 -10.794 1.00 2.86 C ATOM 420 C ALA A 25 -31.806 -60.964 -11.837 1.00 2.04 C ATOM 421 O ALA A 25 -31.732 -60.652 -13.048 1.00 1.52 O ATOM 422 CB ALA A 25 -29.964 -61.841 -10.464 1.00 2.67 C ATOM 0 H ALA A 25 -31.290 -60.543 -8.761 1.00 2.23 H new ATOM 0 HA ALA A 25 -30.148 -59.747 -11.188 1.00 2.86 H new ATOM 0 HB1 ALA A 25 -29.538 -62.246 -11.382 1.00 2.67 H new ATOM 0 HB2 ALA A 25 -29.161 -61.599 -9.767 1.00 2.67 H new ATOM 0 HB3 ALA A 25 -30.625 -62.581 -10.013 1.00 2.67 H new ATOM 428 N ILE A 26 -32.893 -61.554 -11.337 1.00 2.23 N ATOM 429 CA ILE A 26 -34.112 -61.946 -12.157 1.00 2.86 C ATOM 430 C ILE A 26 -34.837 -60.816 -12.857 1.00 2.04 C ATOM 431 O ILE A 26 -35.127 -60.849 -14.022 1.00 1.52 O ATOM 432 CB ILE A 26 -35.123 -62.763 -11.404 1.00 2.67 C ATOM 433 CG1 ILE A 26 -34.419 -63.949 -10.739 1.00 2.46 C ATOM 434 CG2 ILE A 26 -36.273 -63.324 -12.344 1.00 2.46 C ATOM 435 CD1 ILE A 26 -35.275 -64.780 -9.756 1.00 2.44 C ATOM 0 H ILE A 26 -32.984 -61.788 -10.348 1.00 2.23 H new ATOM 0 HA ILE A 26 -33.645 -62.559 -12.928 1.00 2.86 H new ATOM 0 HB ILE A 26 -35.582 -62.107 -10.664 1.00 2.67 H new ATOM 0 HG12 ILE A 26 -34.052 -64.613 -11.521 1.00 2.46 H new ATOM 0 HG13 ILE A 26 -33.547 -63.575 -10.203 1.00 2.46 H new ATOM 0 HG21 ILE A 26 -36.977 -63.907 -11.750 1.00 2.46 H new ATOM 0 HG22 ILE A 26 -36.797 -62.492 -12.814 1.00 2.46 H new ATOM 0 HG23 ILE A 26 -35.836 -63.959 -13.115 1.00 2.46 H new ATOM 0 HD11 ILE A 26 -34.674 -65.592 -9.347 1.00 2.44 H new ATOM 0 HD12 ILE A 26 -35.621 -64.140 -8.944 1.00 2.44 H new ATOM 0 HD13 ILE A 26 -36.134 -65.195 -10.283 1.00 2.44 H new ATOM 447 N ILE A 27 -35.122 -59.696 -12.069 1.00 2.23 N ATOM 448 CA ILE A 27 -35.669 -58.478 -12.546 1.00 2.86 C ATOM 449 C ILE A 27 -34.754 -57.659 -13.418 1.00 2.04 C ATOM 450 O ILE A 27 -35.193 -57.171 -14.422 1.00 1.52 O ATOM 451 CB ILE A 27 -36.443 -57.585 -11.498 1.00 2.67 C ATOM 452 CG1 ILE A 27 -37.368 -56.587 -12.228 1.00 2.46 C ATOM 453 CG2 ILE A 27 -35.600 -56.787 -10.558 1.00 2.46 C ATOM 454 CD1 ILE A 27 -38.491 -57.141 -13.178 1.00 2.44 C ATOM 0 H ILE A 27 -34.949 -59.682 -11.064 1.00 2.23 H new ATOM 0 HA ILE A 27 -36.450 -58.866 -13.199 1.00 2.86 H new ATOM 0 HB ILE A 27 -36.984 -58.315 -10.896 1.00 2.67 H new ATOM 0 HG12 ILE A 27 -37.853 -55.973 -11.469 1.00 2.46 H new ATOM 0 HG13 ILE A 27 -36.736 -55.924 -12.818 1.00 2.46 H new ATOM 0 HG21 ILE A 27 -36.243 -56.216 -9.888 1.00 2.46 H new ATOM 0 HG22 ILE A 27 -34.972 -57.459 -9.973 1.00 2.46 H new ATOM 0 HG23 ILE A 27 -34.969 -56.103 -11.126 1.00 2.46 H new ATOM 0 HD11 ILE A 27 -39.047 -56.308 -13.608 1.00 2.44 H new ATOM 0 HD12 ILE A 27 -38.036 -57.725 -13.978 1.00 2.44 H new ATOM 0 HD13 ILE A 27 -39.170 -57.775 -12.608 1.00 2.44 H new ATOM 466 N LEU A 28 -33.437 -57.474 -13.084 1.00 2.23 N ATOM 467 CA LEU A 28 -32.497 -56.701 -13.979 1.00 2.86 C ATOM 468 C LEU A 28 -32.345 -57.307 -15.286 1.00 2.04 C ATOM 469 O LEU A 28 -32.324 -56.544 -16.277 1.00 1.52 O ATOM 470 CB LEU A 28 -31.065 -56.326 -13.300 1.00 2.67 C ATOM 471 CG LEU A 28 -30.254 -55.307 -14.012 1.00 2.46 C ATOM 472 CD1 LEU A 28 -30.894 -53.892 -13.775 1.00 2.44 C ATOM 473 CD2 LEU A 28 -28.790 -55.371 -13.457 1.00 2.44 C ATOM 0 H LEU A 28 -33.008 -57.834 -12.232 1.00 2.23 H new ATOM 0 HA LEU A 28 -32.993 -55.742 -14.126 1.00 2.86 H new ATOM 0 HB2 LEU A 28 -31.248 -55.972 -12.286 1.00 2.67 H new ATOM 0 HB3 LEU A 28 -30.475 -57.238 -13.217 1.00 2.67 H new ATOM 0 HG LEU A 28 -30.233 -55.496 -15.085 1.00 2.46 H new ATOM 0 HD11 LEU A 28 -30.306 -53.135 -14.294 1.00 2.44 H new ATOM 0 HD12 LEU A 28 -31.914 -53.885 -14.159 1.00 2.44 H new ATOM 0 HD13 LEU A 28 -30.907 -53.673 -12.707 1.00 2.44 H new ATOM 0 HD21 LEU A 28 -28.175 -54.629 -13.967 1.00 2.44 H new ATOM 0 HD22 LEU A 28 -28.797 -55.163 -12.387 1.00 2.44 H new ATOM 0 HD23 LEU A 28 -28.378 -56.365 -13.631 1.00 2.44 H new ATOM 485 N GLU A 29 -32.134 -58.629 -15.368 1.00 2.23 N ATOM 486 CA GLU A 29 -32.201 -59.345 -16.639 1.00 2.86 C ATOM 487 C GLU A 29 -33.500 -59.291 -17.414 1.00 2.04 C ATOM 488 O GLU A 29 -33.489 -59.073 -18.662 1.00 1.52 O ATOM 489 CB GLU A 29 -31.796 -60.879 -16.412 1.00 2.67 C ATOM 490 CG GLU A 29 -31.670 -61.694 -17.735 1.00 2.77 C ATOM 491 CD GLU A 29 -30.415 -61.527 -18.544 1.00 1.98 C ATOM 492 OE1 GLU A 29 -30.167 -62.459 -19.335 1.00 1.40 O ATOM 493 OE2 GLU A 29 -29.669 -60.535 -18.531 1.00 1.40 O1- ATOM 0 H GLU A 29 -31.916 -59.219 -14.565 1.00 2.23 H new ATOM 0 HA GLU A 29 -31.496 -58.802 -17.269 1.00 2.86 H new ATOM 0 HB2 GLU A 29 -30.847 -60.920 -15.878 1.00 2.67 H new ATOM 0 HB3 GLU A 29 -32.542 -61.352 -15.773 1.00 2.67 H new ATOM 0 HG2 GLU A 29 -31.771 -62.751 -17.488 1.00 2.77 H new ATOM 0 HG3 GLU A 29 -32.516 -61.433 -18.371 1.00 2.77 H new ATOM 500 N ASN A 30 -34.727 -59.464 -16.876 1.00 2.23 N ATOM 501 CA ASN A 30 -35.930 -59.275 -17.588 1.00 2.86 C ATOM 502 C ASN A 30 -36.171 -57.864 -18.159 1.00 2.04 C ATOM 503 O ASN A 30 -36.632 -57.670 -19.301 1.00 1.52 O ATOM 504 CB ASN A 30 -37.156 -59.800 -16.861 1.00 2.67 C ATOM 505 CG ASN A 30 -37.257 -61.344 -16.839 1.00 1.98 C ATOM 506 OD1 ASN A 30 -38.330 -61.778 -17.332 1.00 1.42 O ATOM 507 ND2 ASN A 30 -36.501 -62.212 -16.094 1.00 2.15 N ATOM 0 H ASN A 30 -34.871 -59.747 -15.907 1.00 2.23 H new ATOM 0 HA ASN A 30 -35.771 -59.900 -18.467 1.00 2.86 H new ATOM 0 HB2 ASN A 30 -37.144 -59.432 -15.835 1.00 2.67 H new ATOM 0 HB3 ASN A 30 -38.049 -59.394 -17.335 1.00 2.67 H new ATOM 0 HD21 ASN A 30 -36.815 -63.173 -15.956 1.00 2.15 H new ATOM 0 HD22 ASN A 30 -35.625 -61.897 -15.678 1.00 2.15 H new ATOM 514 N PHE A 31 -35.807 -56.771 -17.346 1.00 2.23 N ATOM 515 CA PHE A 31 -35.938 -55.324 -17.673 1.00 2.86 C ATOM 516 C PHE A 31 -35.019 -54.983 -18.774 1.00 2.04 C ATOM 517 O PHE A 31 -35.340 -54.300 -19.719 1.00 1.52 O ATOM 518 CB PHE A 31 -35.626 -54.428 -16.408 1.00 2.67 C ATOM 519 CG PHE A 31 -35.892 -52.996 -16.750 1.00 2.46 C ATOM 520 CD1 PHE A 31 -34.811 -52.009 -16.685 1.00 2.00 C ATOM 521 CD2 PHE A 31 -37.159 -52.558 -17.136 1.00 2.00 C ATOM 522 CE1 PHE A 31 -35.003 -50.689 -17.023 1.00 2.00 C ATOM 523 CE2 PHE A 31 -37.334 -51.175 -17.535 1.00 2.00 C ATOM 524 CZ PHE A 31 -36.226 -50.293 -17.514 1.00 2.00 C ATOM 0 H PHE A 31 -35.404 -56.915 -16.420 1.00 2.23 H new ATOM 0 HA PHE A 31 -36.965 -55.128 -17.981 1.00 2.86 H new ATOM 0 HB2 PHE A 31 -36.246 -54.736 -15.566 1.00 2.67 H new ATOM 0 HB3 PHE A 31 -34.588 -54.556 -16.103 1.00 2.67 H new ATOM 0 HD1 PHE A 31 -33.831 -52.328 -16.361 1.00 2.00 H new ATOM 0 HD2 PHE A 31 -37.997 -53.239 -17.138 1.00 2.00 H new ATOM 0 HE1 PHE A 31 -34.204 -49.973 -16.904 1.00 2.00 H new ATOM 0 HE2 PHE A 31 -38.305 -50.819 -17.847 1.00 2.00 H new ATOM 0 HZ PHE A 31 -36.344 -49.288 -17.891 1.00 2.00 H new ATOM 534 N LYS A 32 -33.772 -55.510 -18.679 1.00 2.23 N ATOM 535 CA LYS A 32 -32.877 -55.448 -19.782 1.00 2.86 C ATOM 536 C LYS A 32 -33.291 -56.113 -21.133 1.00 2.04 C ATOM 537 O LYS A 32 -32.998 -55.646 -22.197 1.00 1.52 O ATOM 538 CB LYS A 32 -31.515 -56.052 -19.400 1.00 2.67 C ATOM 539 CG LYS A 32 -30.346 -55.927 -20.397 1.00 2.46 C ATOM 540 CD LYS A 32 -29.007 -56.025 -19.687 1.00 2.44 C ATOM 541 CE LYS A 32 -28.837 -57.272 -18.799 1.00 2.80 C ATOM 542 NZ LYS A 32 -28.441 -58.434 -19.678 1.00 2.13 N1+ ATOM 0 H LYS A 32 -33.400 -55.969 -17.848 1.00 2.23 H new ATOM 0 HA LYS A 32 -32.866 -54.376 -19.980 1.00 2.86 H new ATOM 0 HB2 LYS A 32 -31.201 -55.593 -18.463 1.00 2.67 H new ATOM 0 HB3 LYS A 32 -31.668 -57.113 -19.200 1.00 2.67 H new ATOM 0 HG2 LYS A 32 -30.420 -56.712 -21.149 1.00 2.46 H new ATOM 0 HG3 LYS A 32 -30.413 -54.975 -20.923 1.00 2.46 H new ATOM 0 HD2 LYS A 32 -28.214 -56.018 -20.435 1.00 2.44 H new ATOM 0 HD3 LYS A 32 -28.872 -55.136 -19.071 1.00 2.44 H new ATOM 0 HE2 LYS A 32 -28.076 -57.095 -18.039 1.00 2.80 H new ATOM 0 HE3 LYS A 32 -29.766 -57.493 -18.274 1.00 2.80 H new ATOM 0 HZ1 LYS A 32 -28.724 -59.325 -19.223 1.00 2.13 H new ATOM 0 HZ2 LYS A 32 -28.915 -58.350 -20.600 1.00 2.13 H new ATOM 0 HZ3 LYS A 32 -27.410 -58.428 -19.817 1.00 2.13 H new ATOM 556 N LYS A 33 -33.964 -57.315 -21.010 1.00 2.23 N ATOM 557 CA LYS A 33 -34.386 -58.203 -22.081 1.00 2.86 C ATOM 558 C LYS A 33 -35.674 -57.623 -22.726 1.00 2.04 C ATOM 559 O LYS A 33 -35.737 -57.558 -23.969 1.00 1.52 O ATOM 560 CB LYS A 33 -34.514 -59.624 -21.589 1.00 2.67 C ATOM 561 CG LYS A 33 -34.903 -60.728 -22.635 1.00 2.46 C ATOM 562 CD LYS A 33 -35.109 -62.071 -21.901 1.00 2.44 C ATOM 563 CE LYS A 33 -35.281 -63.356 -22.730 1.00 2.80 C ATOM 564 NZ LYS A 33 -34.046 -63.659 -23.454 1.00 2.13 N1+ ATOM 0 H LYS A 33 -34.225 -57.679 -20.094 1.00 2.23 H new ATOM 0 HA LYS A 33 -33.630 -58.255 -22.865 1.00 2.86 H new ATOM 0 HB2 LYS A 33 -33.563 -59.909 -21.139 1.00 2.67 H new ATOM 0 HB3 LYS A 33 -35.260 -59.638 -20.794 1.00 2.67 H new ATOM 0 HG2 LYS A 33 -35.815 -60.443 -23.161 1.00 2.46 H new ATOM 0 HG3 LYS A 33 -34.119 -60.827 -23.386 1.00 2.46 H new ATOM 0 HD2 LYS A 33 -34.256 -62.218 -21.239 1.00 2.44 H new ATOM 0 HD3 LYS A 33 -35.990 -61.968 -21.267 1.00 2.44 H new ATOM 0 HE2 LYS A 33 -35.541 -64.188 -22.075 1.00 2.80 H new ATOM 0 HE3 LYS A 33 -36.104 -63.236 -23.434 1.00 2.80 H new ATOM 0 HZ1 LYS A 33 -34.174 -64.528 -24.010 1.00 2.13 H new ATOM 0 HZ2 LYS A 33 -33.815 -62.871 -24.092 1.00 2.13 H new ATOM 0 HZ3 LYS A 33 -33.270 -63.793 -22.775 1.00 2.13 H new ATOM 578 N LYS A 34 -36.751 -57.214 -21.948 1.00 2.23 N ATOM 579 CA LYS A 34 -38.051 -56.786 -22.452 1.00 2.86 C ATOM 580 C LYS A 34 -38.164 -55.196 -22.496 1.00 2.04 C ATOM 581 O LYS A 34 -38.492 -54.589 -23.514 1.00 1.52 O ATOM 582 CB LYS A 34 -39.189 -57.437 -21.543 1.00 2.67 C ATOM 583 CG LYS A 34 -40.618 -56.889 -21.964 1.00 2.46 C ATOM 584 CD LYS A 34 -41.051 -57.129 -23.443 1.00 2.44 C ATOM 585 CE LYS A 34 -42.300 -56.429 -23.801 1.00 2.80 C ATOM 586 NZ LYS A 34 -42.869 -56.967 -25.025 1.00 2.13 N1+ ATOM 0 H LYS A 34 -36.699 -57.186 -20.930 1.00 2.23 H new ATOM 0 HA LYS A 34 -38.175 -57.128 -23.479 1.00 2.86 H new ATOM 0 HB2 LYS A 34 -39.165 -58.522 -21.642 1.00 2.67 H new ATOM 0 HB3 LYS A 34 -39.000 -57.209 -20.494 1.00 2.67 H new ATOM 0 HG2 LYS A 34 -41.363 -57.346 -21.313 1.00 2.46 H new ATOM 0 HG3 LYS A 34 -40.641 -55.816 -21.772 1.00 2.46 H new ATOM 0 HD2 LYS A 34 -40.253 -56.798 -24.107 1.00 2.44 H new ATOM 0 HD3 LYS A 34 -41.181 -58.199 -23.608 1.00 2.44 H new ATOM 0 HE2 LYS A 34 -43.020 -56.525 -22.989 1.00 2.80 H new ATOM 0 HE3 LYS A 34 -42.101 -55.365 -23.926 1.00 2.80 H new ATOM 0 HZ1 LYS A 34 -43.746 -56.457 -25.254 1.00 2.13 H new ATOM 0 HZ2 LYS A 34 -42.189 -56.853 -25.804 1.00 2.13 H new ATOM 0 HZ3 LYS A 34 -43.080 -57.977 -24.895 1.00 2.13 H new HETATM 600 N NH2 A 35 -37.987 -54.526 -21.367 1.00 2.23 N TER 603 NH2 A 35