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+ -116:sc= 0.0199 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 180:sc= -0.0339 USER MOD Single : A 9 CYS SG : rot 67:sc= 0.407 USER MOD Single : A 10 SER OG : rot 77:sc= 0.223 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 94:sc= 1.28 USER MOD Single : A 21 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.63) USER MOD Single : A 22 MET CE :methyl 136:sc= -0.0121 (180deg=-0.0823) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.491 X(o=0.49,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= 1.1 (180deg=0.886) 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 -33.768 -61.089 26.273 1.00 2.23 N ATOM 2 CA LYS A 1 -32.894 -59.860 26.413 1.00 2.86 C ATOM 3 C LYS A 1 -32.123 -59.425 25.129 1.00 2.04 C ATOM 4 O LYS A 1 -32.184 -60.128 24.147 1.00 1.52 O ATOM 5 CB LYS A 1 -31.876 -59.991 27.598 1.00 2.67 C ATOM 6 CG LYS A 1 -30.693 -61.048 27.425 1.00 2.46 C ATOM 7 CD LYS A 1 -29.996 -61.348 28.757 1.00 2.44 C ATOM 8 CE LYS A 1 -29.305 -60.218 29.458 1.00 2.80 C ATOM 9 NZ LYS A 1 -28.232 -60.724 30.321 1.00 2.13 N1+ ATOM 0 H1 LYS A 1 -34.764 -60.825 26.418 1.00 2.23 H new ATOM 0 H2 LYS A 1 -33.651 -61.491 25.321 1.00 2.23 H new ATOM 0 H3 LYS A 1 -33.490 -61.795 26.984 1.00 2.23 H new ATOM 0 HA LYS A 1 -33.619 -59.072 26.617 1.00 2.86 H new ATOM 0 HB2 LYS A 1 -31.432 -59.011 27.772 1.00 2.67 H new ATOM 0 HB3 LYS A 1 -32.435 -60.252 28.497 1.00 2.67 H new ATOM 0 HG2 LYS A 1 -31.091 -61.973 27.007 1.00 2.46 H new ATOM 0 HG3 LYS A 1 -29.964 -60.663 26.712 1.00 2.46 H new ATOM 0 HD2 LYS A 1 -30.741 -61.759 29.439 1.00 2.44 H new ATOM 0 HD3 LYS A 1 -29.259 -62.132 28.580 1.00 2.44 H new ATOM 0 HE2 LYS A 1 -28.893 -59.526 28.724 1.00 2.80 H new ATOM 0 HE3 LYS A 1 -30.025 -59.658 30.055 1.00 2.80 H new ATOM 0 HZ1 LYS A 1 -27.765 -59.927 30.798 1.00 2.13 H new ATOM 0 HZ2 LYS A 1 -28.633 -61.367 31.033 1.00 2.13 H new ATOM 0 HZ3 LYS A 1 -27.536 -61.238 29.744 1.00 2.13 H new ATOM 25 N LYS A 2 -31.235 -58.406 25.167 1.00 2.23 N ATOM 26 CA LYS A 2 -30.486 -57.874 23.960 1.00 2.86 C ATOM 27 C LYS A 2 -29.094 -58.498 23.669 1.00 2.04 C ATOM 28 O LYS A 2 -28.439 -58.086 22.731 1.00 1.52 O ATOM 29 CB LYS A 2 -30.273 -56.339 24.199 1.00 2.67 C ATOM 30 CG LYS A 2 -31.565 -55.530 24.095 1.00 2.46 C ATOM 31 CD LYS A 2 -31.209 -54.047 24.310 1.00 2.44 C ATOM 32 CE LYS A 2 -30.672 -53.331 23.077 1.00 2.80 C ATOM 33 NZ LYS A 2 -29.960 -52.008 23.434 1.00 2.13 N1+ ATOM 0 H LYS A 2 -31.003 -57.914 26.030 1.00 2.23 H new ATOM 0 HA LYS A 2 -31.098 -58.131 23.095 1.00 2.86 H new ATOM 0 HB2 LYS A 2 -29.836 -56.189 25.186 1.00 2.67 H new ATOM 0 HB3 LYS A 2 -29.555 -55.960 23.471 1.00 2.67 H new ATOM 0 HG2 LYS A 2 -32.029 -55.674 23.119 1.00 2.46 H new ATOM 0 HG3 LYS A 2 -32.285 -55.862 24.842 1.00 2.46 H new ATOM 0 HD2 LYS A 2 -32.098 -53.522 24.659 1.00 2.44 H new ATOM 0 HD3 LYS A 2 -30.466 -53.978 25.105 1.00 2.44 H new ATOM 0 HE2 LYS A 2 -29.976 -53.986 22.553 1.00 2.80 H new ATOM 0 HE3 LYS A 2 -31.494 -53.126 22.391 1.00 2.80 H new ATOM 0 HZ1 LYS A 2 -29.611 -51.556 22.565 1.00 2.13 H new ATOM 0 HZ2 LYS A 2 -30.630 -51.371 23.911 1.00 2.13 H new ATOM 0 HZ3 LYS A 2 -29.159 -52.205 24.067 1.00 2.13 H new ATOM 47 N LYS A 3 -28.620 -59.496 24.417 1.00 2.23 N ATOM 48 CA LYS A 3 -27.287 -60.029 24.208 1.00 2.86 C ATOM 49 C LYS A 3 -27.397 -61.467 23.684 1.00 2.04 C ATOM 50 O LYS A 3 -28.137 -62.240 24.241 1.00 1.52 O ATOM 51 CB LYS A 3 -26.541 -60.007 25.552 1.00 2.67 C ATOM 52 CG LYS A 3 -26.594 -58.571 26.187 1.00 2.46 C ATOM 53 CD LYS A 3 -25.794 -58.422 27.517 1.00 2.44 C ATOM 54 CE LYS A 3 -25.839 -57.045 28.216 1.00 2.80 C ATOM 55 NZ LYS A 3 -25.183 -56.076 27.412 1.00 2.13 N1+ ATOM 0 H LYS A 3 -29.143 -59.945 25.169 1.00 2.23 H new ATOM 0 HA LYS A 3 -26.742 -59.430 23.478 1.00 2.86 H new ATOM 0 HB2 LYS A 3 -26.988 -60.730 26.235 1.00 2.67 H new ATOM 0 HB3 LYS A 3 -25.504 -60.308 25.404 1.00 2.67 H new ATOM 0 HG2 LYS A 3 -26.208 -57.853 25.463 1.00 2.46 H new ATOM 0 HG3 LYS A 3 -27.635 -58.308 26.373 1.00 2.46 H new ATOM 0 HD2 LYS A 3 -26.163 -59.170 28.219 1.00 2.44 H new ATOM 0 HD3 LYS A 3 -24.751 -58.664 27.313 1.00 2.44 H new ATOM 0 HE2 LYS A 3 -26.874 -56.748 28.388 1.00 2.80 H new ATOM 0 HE3 LYS A 3 -25.358 -57.107 29.192 1.00 2.80 H new ATOM 0 HZ1 LYS A 3 -25.216 -55.151 27.887 1.00 2.13 H new ATOM 0 HZ2 LYS A 3 -24.192 -56.357 27.269 1.00 2.13 H new ATOM 0 HZ3 LYS A 3 -25.660 -56.009 26.490 1.00 2.13 H new ATOM 69 N GLY A 4 -26.625 -61.873 22.601 1.00 2.23 N ATOM 70 CA GLY A 4 -26.580 -63.199 22.042 1.00 2.38 C ATOM 71 C GLY A 4 -27.651 -63.346 21.035 1.00 2.04 C ATOM 72 O GLY A 4 -27.873 -64.443 20.558 1.00 1.52 O ATOM 0 H GLY A 4 -26.010 -61.225 22.109 1.00 2.23 H new ATOM 0 HA2 GLY A 4 -25.608 -63.379 21.583 1.00 2.38 H new ATOM 0 HA3 GLY A 4 -26.703 -63.942 22.830 1.00 2.38 H new ATOM 76 N ILE A 5 -28.389 -62.334 20.600 1.00 2.23 N ATOM 77 CA ILE A 5 -29.366 -62.304 19.548 1.00 2.86 C ATOM 78 C ILE A 5 -28.812 -61.844 18.198 1.00 2.04 C ATOM 79 O ILE A 5 -29.362 -62.111 17.136 1.00 1.52 O ATOM 80 CB ILE A 5 -30.547 -61.495 19.982 1.00 2.67 C ATOM 81 CG1 ILE A 5 -30.110 -60.042 20.382 1.00 2.46 C ATOM 82 CG2 ILE A 5 -31.192 -62.290 21.084 1.00 2.46 C ATOM 83 CD1 ILE A 5 -31.260 -59.016 20.515 1.00 2.44 C ATOM 0 H ILE A 5 -28.298 -61.415 21.033 1.00 2.23 H new ATOM 0 HA ILE A 5 -29.683 -63.332 19.372 1.00 2.86 H new ATOM 0 HB ILE A 5 -31.275 -61.332 19.188 1.00 2.67 H new ATOM 0 HG12 ILE A 5 -29.577 -60.090 21.331 1.00 2.46 H new ATOM 0 HG13 ILE A 5 -29.403 -59.676 19.638 1.00 2.46 H new ATOM 0 HG21 ILE A 5 -32.068 -61.757 21.453 1.00 2.46 H new ATOM 0 HG22 ILE A 5 -31.495 -63.264 20.700 1.00 2.46 H new ATOM 0 HG23 ILE A 5 -30.481 -62.426 21.899 1.00 2.46 H new ATOM 0 HD11 ILE A 5 -30.851 -58.045 20.794 1.00 2.44 H new ATOM 0 HD12 ILE A 5 -31.782 -58.929 19.562 1.00 2.44 H new ATOM 0 HD13 ILE A 5 -31.958 -59.350 21.282 1.00 2.44 H new ATOM 95 N CYS A 6 -27.622 -61.216 18.252 1.00 2.23 N ATOM 96 CA CYS A 6 -26.772 -60.809 17.155 1.00 2.86 C ATOM 97 C CYS A 6 -26.593 -61.707 15.878 1.00 2.04 C ATOM 98 O CYS A 6 -26.647 -61.192 14.742 1.00 1.52 O ATOM 99 CB CYS A 6 -25.406 -60.437 17.700 1.00 2.67 C ATOM 100 SG CYS A 6 -24.644 -61.863 18.579 1.00 2.00 S ATOM 0 H CYS A 6 -27.209 -60.966 19.151 1.00 2.23 H new ATOM 0 HA CYS A 6 -27.351 -59.984 16.741 1.00 2.86 H new ATOM 0 HB2 CYS A 6 -24.758 -60.119 16.883 1.00 2.67 H new ATOM 0 HB3 CYS A 6 -25.499 -59.591 18.381 1.00 2.67 H new ATOM 0 HG CYS A 6 -23.476 -61.519 19.033 1.00 2.00 H new ATOM 106 N PHE A 7 -26.379 -62.992 16.098 1.00 2.23 N ATOM 107 CA PHE A 7 -26.289 -64.152 15.249 1.00 2.86 C ATOM 108 C PHE A 7 -27.588 -64.317 14.445 1.00 2.04 C ATOM 109 O PHE A 7 -27.605 -64.495 13.250 1.00 1.52 O ATOM 110 CB PHE A 7 -26.088 -65.475 16.045 1.00 2.67 C ATOM 111 CG PHE A 7 -24.826 -65.532 16.822 1.00 2.46 C ATOM 112 CD1 PHE A 7 -23.612 -65.545 16.115 1.00 2.00 C ATOM 113 CD2 PHE A 7 -24.745 -65.547 18.223 1.00 2.00 C ATOM 114 CE1 PHE A 7 -22.342 -65.500 16.790 1.00 2.00 C ATOM 115 CE2 PHE A 7 -23.572 -65.546 18.930 1.00 2.00 C ATOM 116 CZ PHE A 7 -22.328 -65.437 18.182 1.00 2.00 C ATOM 0 H PHE A 7 -26.240 -63.288 17.064 1.00 2.23 H new ATOM 0 HA PHE A 7 -25.424 -63.984 14.608 1.00 2.86 H new ATOM 0 HB2 PHE A 7 -26.928 -65.606 16.727 1.00 2.67 H new ATOM 0 HB3 PHE A 7 -26.110 -66.312 15.348 1.00 2.67 H new ATOM 0 HD1 PHE A 7 -23.633 -65.590 15.036 1.00 2.00 H new ATOM 0 HD2 PHE A 7 -25.670 -65.560 18.781 1.00 2.00 H new ATOM 0 HE1 PHE A 7 -21.419 -65.515 16.230 1.00 2.00 H new ATOM 0 HE2 PHE A 7 -23.570 -65.624 20.007 1.00 2.00 H new ATOM 0 HZ PHE A 7 -21.393 -65.307 18.707 1.00 2.00 H new ATOM 126 N PHE A 8 -28.706 -64.149 15.073 1.00 2.23 N ATOM 127 CA PHE A 8 -30.036 -64.485 14.504 1.00 2.86 C ATOM 128 C PHE A 8 -30.515 -63.212 13.797 1.00 2.04 C ATOM 129 O PHE A 8 -31.286 -63.358 12.827 1.00 1.52 O ATOM 130 CB PHE A 8 -31.023 -64.943 15.703 1.00 2.67 C ATOM 131 CG PHE A 8 -30.479 -66.173 16.436 1.00 2.46 C ATOM 132 CD1 PHE A 8 -30.701 -67.381 15.866 1.00 2.00 C ATOM 133 CD2 PHE A 8 -29.717 -65.987 17.616 1.00 2.00 C ATOM 134 CE1 PHE A 8 -30.243 -68.531 16.533 1.00 2.00 C ATOM 135 CE2 PHE A 8 -29.370 -67.189 18.317 1.00 2.00 C ATOM 136 CZ PHE A 8 -29.581 -68.426 17.757 1.00 2.00 C ATOM 0 H PHE A 8 -28.756 -63.768 16.018 1.00 2.23 H new ATOM 0 HA PHE A 8 -30.008 -65.313 13.795 1.00 2.86 H new ATOM 0 HB2 PHE A 8 -31.146 -64.122 16.409 1.00 2.67 H new ATOM 0 HB3 PHE A 8 -32.010 -65.166 15.298 1.00 2.67 H new ATOM 0 HD1 PHE A 8 -31.218 -67.459 14.921 1.00 2.00 H new ATOM 0 HD2 PHE A 8 -29.419 -65.009 17.963 1.00 2.00 H new ATOM 0 HE1 PHE A 8 -30.405 -69.504 16.094 1.00 2.00 H new ATOM 0 HE2 PHE A 8 -28.935 -67.121 19.303 1.00 2.00 H new ATOM 0 HZ PHE A 8 -29.235 -69.315 18.263 1.00 2.00 H new ATOM 146 N CYS A 9 -30.061 -62.025 14.214 1.00 2.23 N ATOM 147 CA CYS A 9 -30.207 -60.791 13.488 1.00 2.86 C ATOM 148 C CYS A 9 -29.498 -60.718 12.180 1.00 2.04 C ATOM 149 O CYS A 9 -30.006 -60.275 11.184 1.00 1.52 O ATOM 150 CB CYS A 9 -29.745 -59.528 14.359 1.00 2.67 C ATOM 151 SG CYS A 9 -30.663 -59.385 15.882 1.00 2.00 S ATOM 0 H CYS A 9 -29.567 -61.910 15.099 1.00 2.23 H new ATOM 0 HA CYS A 9 -31.276 -60.766 13.278 1.00 2.86 H new ATOM 0 HB2 CYS A 9 -28.682 -59.614 14.585 1.00 2.67 H new ATOM 0 HB3 CYS A 9 -29.874 -58.618 13.773 1.00 2.67 H new ATOM 0 HG CYS A 9 -30.364 -60.380 16.664 1.00 2.00 H new ATOM 157 N SER A 10 -28.266 -61.264 12.101 1.00 2.23 N ATOM 158 CA SER A 10 -27.508 -61.430 10.851 1.00 2.86 C ATOM 159 C SER A 10 -28.102 -62.593 10.076 1.00 2.04 C ATOM 160 O SER A 10 -28.123 -62.631 8.871 1.00 1.52 O ATOM 161 CB SER A 10 -26.052 -61.944 11.164 1.00 2.67 C ATOM 162 OG SER A 10 -25.403 -60.862 11.913 1.00 1.64 O ATOM 0 H SER A 10 -27.765 -61.607 12.921 1.00 2.23 H new ATOM 0 HA SER A 10 -27.525 -60.475 10.326 1.00 2.86 H new ATOM 0 HB2 SER A 10 -26.078 -62.864 11.748 1.00 2.67 H new ATOM 0 HB3 SER A 10 -25.509 -62.165 10.245 1.00 2.67 H new ATOM 0 HG SER A 10 -25.725 -60.866 12.839 1.00 1.64 H new ATOM 168 N TYR A 11 -28.701 -63.598 10.756 1.00 2.23 N ATOM 169 CA TYR A 11 -29.395 -64.620 9.980 1.00 2.86 C ATOM 170 C TYR A 11 -30.567 -64.004 9.301 1.00 2.04 C ATOM 171 O TYR A 11 -30.889 -64.363 8.136 1.00 1.52 O ATOM 172 CB TYR A 11 -29.860 -65.836 10.926 1.00 2.67 C ATOM 173 CG TYR A 11 -30.350 -67.117 10.249 1.00 2.46 C ATOM 174 CD1 TYR A 11 -30.829 -68.163 11.084 1.00 2.00 C ATOM 175 CD2 TYR A 11 -30.302 -67.387 8.851 1.00 2.00 C ATOM 176 CE1 TYR A 11 -31.346 -69.363 10.570 1.00 2.00 C ATOM 177 CE2 TYR A 11 -30.849 -68.557 8.327 1.00 2.00 C ATOM 178 CZ TYR A 11 -31.427 -69.486 9.174 1.00 2.00 C ATOM 179 OH TYR A 11 -32.012 -70.763 8.623 1.00 1.85 O ATOM 0 H TYR A 11 -28.715 -63.712 11.770 1.00 2.23 H new ATOM 0 HA TYR A 11 -28.716 -65.026 9.230 1.00 2.86 H new ATOM 0 HB2 TYR A 11 -29.022 -66.098 11.572 1.00 2.67 H new ATOM 0 HB3 TYR A 11 -30.659 -65.472 11.572 1.00 2.67 H new ATOM 0 HD1 TYR A 11 -30.794 -68.030 12.155 1.00 2.00 H new ATOM 0 HD2 TYR A 11 -29.835 -66.674 8.187 1.00 2.00 H new ATOM 0 HE1 TYR A 11 -31.669 -70.160 11.223 1.00 2.00 H new ATOM 0 HE2 TYR A 11 -30.822 -68.738 7.263 1.00 2.00 H new ATOM 0 HH TYR A 11 -32.014 -70.726 7.644 1.00 1.85 H new ATOM 189 N ILE A 12 -31.387 -63.144 9.984 1.00 2.23 N ATOM 190 CA ILE A 12 -32.628 -62.576 9.486 1.00 2.86 C ATOM 191 C ILE A 12 -32.302 -61.651 8.301 1.00 2.04 C ATOM 192 O ILE A 12 -32.823 -61.695 7.166 1.00 1.52 O ATOM 193 CB ILE A 12 -33.389 -61.873 10.597 1.00 2.67 C ATOM 194 CG1 ILE A 12 -34.243 -62.979 11.229 1.00 2.46 C ATOM 195 CG2 ILE A 12 -34.286 -60.695 10.195 1.00 2.46 C ATOM 196 CD1 ILE A 12 -34.673 -62.652 12.708 1.00 2.44 C ATOM 0 H ILE A 12 -31.169 -62.832 10.930 1.00 2.23 H new ATOM 0 HA ILE A 12 -33.290 -63.365 9.130 1.00 2.86 H new ATOM 0 HB ILE A 12 -32.662 -61.400 11.257 1.00 2.67 H new ATOM 0 HG12 ILE A 12 -35.135 -63.133 10.622 1.00 2.46 H new ATOM 0 HG13 ILE A 12 -33.684 -63.914 11.217 1.00 2.46 H new ATOM 0 HG21 ILE A 12 -34.769 -60.286 11.082 1.00 2.46 H new ATOM 0 HG22 ILE A 12 -33.681 -59.922 9.722 1.00 2.46 H new ATOM 0 HG23 ILE A 12 -35.047 -61.039 9.494 1.00 2.46 H new ATOM 0 HD11 ILE A 12 -35.275 -63.471 13.101 1.00 2.44 H new ATOM 0 HD12 ILE A 12 -33.784 -62.526 13.326 1.00 2.44 H new ATOM 0 HD13 ILE A 12 -35.258 -61.733 12.722 1.00 2.44 H new ATOM 208 N ILE A 13 -31.235 -60.803 8.474 1.00 2.23 N ATOM 209 CA ILE A 13 -30.767 -59.797 7.540 1.00 2.86 C ATOM 210 C ILE A 13 -30.210 -60.445 6.294 1.00 2.04 C ATOM 211 O ILE A 13 -30.603 -60.209 5.153 1.00 1.52 O ATOM 212 CB ILE A 13 -29.740 -58.772 8.083 1.00 2.67 C ATOM 213 CG1 ILE A 13 -30.469 -57.857 9.137 1.00 2.46 C ATOM 214 CG2 ILE A 13 -29.082 -57.928 6.946 1.00 2.46 C ATOM 215 CD1 ILE A 13 -29.468 -56.936 9.868 1.00 2.44 C ATOM 0 H ILE A 13 -30.669 -60.829 9.322 1.00 2.23 H new ATOM 0 HA ILE A 13 -31.663 -59.214 7.325 1.00 2.86 H new ATOM 0 HB ILE A 13 -28.919 -59.308 8.560 1.00 2.67 H new ATOM 0 HG12 ILE A 13 -31.224 -57.252 8.636 1.00 2.46 H new ATOM 0 HG13 ILE A 13 -30.991 -58.480 9.864 1.00 2.46 H new ATOM 0 HG21 ILE A 13 -28.371 -57.225 7.380 1.00 2.46 H new ATOM 0 HG22 ILE A 13 -28.562 -58.591 6.255 1.00 2.46 H new ATOM 0 HG23 ILE A 13 -29.854 -57.377 6.408 1.00 2.46 H new ATOM 0 HD11 ILE A 13 -30.002 -56.317 10.589 1.00 2.44 H new ATOM 0 HD12 ILE A 13 -28.728 -57.544 10.389 1.00 2.44 H new ATOM 0 HD13 ILE A 13 -28.966 -56.296 9.143 1.00 2.44 H new ATOM 227 N ILE A 14 -29.304 -61.453 6.414 1.00 2.23 N ATOM 228 CA ILE A 14 -28.759 -62.098 5.241 1.00 2.86 C ATOM 229 C ILE A 14 -29.755 -62.926 4.527 1.00 2.04 C ATOM 230 O ILE A 14 -29.755 -62.973 3.335 1.00 1.52 O ATOM 231 CB ILE A 14 -27.563 -62.845 5.744 1.00 2.67 C ATOM 232 CG1 ILE A 14 -26.441 -62.023 6.389 1.00 2.46 C ATOM 233 CG2 ILE A 14 -26.968 -63.811 4.703 1.00 2.46 C ATOM 234 CD1 ILE A 14 -25.611 -61.186 5.420 1.00 2.44 C ATOM 0 H ILE A 14 -28.956 -61.814 7.303 1.00 2.23 H new ATOM 0 HA ILE A 14 -28.467 -61.386 4.469 1.00 2.86 H new ATOM 0 HB ILE A 14 -28.006 -63.410 6.564 1.00 2.67 H new ATOM 0 HG12 ILE A 14 -26.880 -61.359 7.134 1.00 2.46 H new ATOM 0 HG13 ILE A 14 -25.774 -62.702 6.921 1.00 2.46 H new ATOM 0 HG21 ILE A 14 -26.105 -64.320 5.131 1.00 2.46 H new ATOM 0 HG22 ILE A 14 -27.720 -64.547 4.419 1.00 2.46 H new ATOM 0 HG23 ILE A 14 -26.658 -63.250 3.821 1.00 2.46 H new ATOM 0 HD11 ILE A 14 -24.845 -60.642 5.973 1.00 2.44 H new ATOM 0 HD12 ILE A 14 -25.136 -61.840 4.689 1.00 2.44 H new ATOM 0 HD13 ILE A 14 -26.259 -60.477 4.905 1.00 2.44 H new ATOM 246 N SER A 15 -30.780 -63.456 5.225 1.00 2.23 N ATOM 247 CA SER A 15 -31.920 -64.139 4.568 1.00 2.86 C ATOM 248 C SER A 15 -32.713 -63.299 3.499 1.00 2.04 C ATOM 249 O SER A 15 -33.034 -63.742 2.405 1.00 1.52 O ATOM 250 CB SER A 15 -32.859 -64.697 5.617 1.00 2.67 C ATOM 251 OG SER A 15 -32.228 -65.784 6.302 1.00 1.64 O ATOM 0 H SER A 15 -30.844 -63.426 6.243 1.00 2.23 H new ATOM 0 HA SER A 15 -31.466 -64.940 3.984 1.00 2.86 H new ATOM 0 HB2 SER A 15 -33.131 -63.916 6.327 1.00 2.67 H new ATOM 0 HB3 SER A 15 -33.782 -65.037 5.148 1.00 2.67 H new ATOM 0 HG SER A 15 -31.796 -65.451 7.116 1.00 1.64 H new ATOM 257 N PHE A 16 -33.020 -62.084 3.882 1.00 2.23 N ATOM 258 CA PHE A 16 -33.555 -61.121 2.934 1.00 2.86 C ATOM 259 C PHE A 16 -32.474 -60.722 1.882 1.00 2.04 C ATOM 260 O PHE A 16 -32.858 -60.627 0.736 1.00 1.52 O ATOM 261 CB PHE A 16 -34.187 -59.885 3.598 1.00 2.67 C ATOM 262 CG PHE A 16 -35.341 -60.228 4.418 1.00 2.46 C ATOM 263 CD1 PHE A 16 -36.559 -60.583 3.841 1.00 2.00 C ATOM 264 CD2 PHE A 16 -35.305 -59.933 5.758 1.00 2.00 C ATOM 265 CE1 PHE A 16 -37.766 -60.536 4.562 1.00 2.00 C ATOM 266 CE2 PHE A 16 -36.449 -59.960 6.540 1.00 2.00 C ATOM 267 CZ PHE A 16 -37.751 -60.262 5.940 1.00 2.00 C ATOM 0 H PHE A 16 -32.912 -61.734 4.834 1.00 2.23 H new ATOM 0 HA PHE A 16 -34.375 -61.621 2.418 1.00 2.86 H new ATOM 0 HB2 PHE A 16 -33.441 -59.385 4.216 1.00 2.67 H new ATOM 0 HB3 PHE A 16 -34.489 -59.176 2.827 1.00 2.67 H new ATOM 0 HD1 PHE A 16 -36.577 -60.904 2.810 1.00 2.00 H new ATOM 0 HD2 PHE A 16 -34.361 -59.673 6.215 1.00 2.00 H new ATOM 0 HE1 PHE A 16 -38.704 -60.711 4.056 1.00 2.00 H new ATOM 0 HE2 PHE A 16 -36.380 -59.757 7.599 1.00 2.00 H new ATOM 0 HZ PHE A 16 -38.656 -60.273 6.529 1.00 2.00 H new ATOM 277 N LEU A 17 -31.153 -60.489 2.300 1.00 2.23 N ATOM 278 CA LEU A 17 -30.061 -60.075 1.427 1.00 2.86 C ATOM 279 C LEU A 17 -29.710 -61.002 0.271 1.00 2.04 C ATOM 280 O LEU A 17 -29.483 -60.573 -0.844 1.00 1.52 O ATOM 281 CB LEU A 17 -28.842 -59.756 2.298 1.00 2.67 C ATOM 282 CG LEU A 17 -27.615 -59.156 1.686 1.00 2.46 C ATOM 283 CD1 LEU A 17 -27.983 -57.814 0.968 1.00 2.44 C ATOM 284 CD2 LEU A 17 -26.533 -58.938 2.753 1.00 2.44 C ATOM 0 H LEU A 17 -30.863 -60.598 3.272 1.00 2.23 H new ATOM 0 HA LEU A 17 -30.419 -59.191 0.900 1.00 2.86 H new ATOM 0 HB2 LEU A 17 -29.175 -59.079 3.084 1.00 2.67 H new ATOM 0 HB3 LEU A 17 -28.540 -60.684 2.784 1.00 2.67 H new ATOM 0 HG LEU A 17 -27.212 -59.844 0.943 1.00 2.46 H new ATOM 0 HD11 LEU A 17 -27.087 -57.381 0.524 1.00 2.44 H new ATOM 0 HD12 LEU A 17 -28.717 -58.009 0.186 1.00 2.44 H new ATOM 0 HD13 LEU A 17 -28.402 -57.116 1.693 1.00 2.44 H new ATOM 0 HD21 LEU A 17 -25.648 -58.501 2.290 1.00 2.44 H new ATOM 0 HD22 LEU A 17 -26.911 -58.264 3.522 1.00 2.44 H new ATOM 0 HD23 LEU A 17 -26.271 -59.894 3.206 1.00 2.44 H new ATOM 296 N ILE A 18 -29.597 -62.267 0.614 1.00 2.23 N ATOM 297 CA ILE A 18 -29.370 -63.246 -0.513 1.00 2.86 C ATOM 298 C ILE A 18 -30.494 -63.372 -1.560 1.00 2.04 C ATOM 299 O ILE A 18 -30.286 -63.520 -2.780 1.00 1.52 O ATOM 300 CB ILE A 18 -28.972 -64.547 0.048 1.00 2.67 C ATOM 301 CG1 ILE A 18 -30.078 -65.217 0.919 1.00 2.46 C ATOM 302 CG2 ILE A 18 -27.717 -64.203 0.933 1.00 2.46 C ATOM 303 CD1 ILE A 18 -29.704 -66.511 1.497 1.00 2.44 C ATOM 0 H ILE A 18 -29.647 -62.651 1.558 1.00 2.23 H new ATOM 0 HA ILE A 18 -28.560 -62.824 -1.109 1.00 2.86 H new ATOM 0 HB ILE A 18 -28.776 -65.269 -0.745 1.00 2.67 H new ATOM 0 HG12 ILE A 18 -30.346 -64.537 1.728 1.00 2.46 H new ATOM 0 HG13 ILE A 18 -30.970 -65.352 0.308 1.00 2.46 H new ATOM 0 HG21 ILE A 18 -27.341 -65.113 1.400 1.00 2.46 H new ATOM 0 HG22 ILE A 18 -26.938 -63.768 0.307 1.00 2.46 H new ATOM 0 HG23 ILE A 18 -28.002 -63.490 1.706 1.00 2.46 H new ATOM 0 HD11 ILE A 18 -30.535 -66.900 2.086 1.00 2.44 H new ATOM 0 HD12 ILE A 18 -29.467 -67.212 0.697 1.00 2.44 H new ATOM 0 HD13 ILE A 18 -28.832 -66.384 2.139 1.00 2.44 H new ATOM 315 N VAL A 19 -31.801 -63.228 -1.124 1.00 2.23 N ATOM 316 CA VAL A 19 -32.970 -63.076 -1.888 1.00 2.86 C ATOM 317 C VAL A 19 -33.171 -61.732 -2.617 1.00 2.04 C ATOM 318 O VAL A 19 -33.503 -61.720 -3.784 1.00 1.52 O ATOM 319 CB VAL A 19 -34.248 -63.232 -1.070 1.00 2.67 C ATOM 320 CG1 VAL A 19 -35.487 -63.063 -1.896 1.00 2.46 C ATOM 321 CG2 VAL A 19 -34.326 -64.639 -0.569 1.00 2.46 C ATOM 0 H VAL A 19 -32.013 -63.223 -0.126 1.00 2.23 H new ATOM 0 HA VAL A 19 -32.807 -63.870 -2.617 1.00 2.86 H new ATOM 0 HB VAL A 19 -34.205 -62.476 -0.286 1.00 2.67 H new ATOM 0 HG11 VAL A 19 -36.366 -63.184 -1.263 1.00 2.46 H new ATOM 0 HG12 VAL A 19 -35.495 -62.068 -2.341 1.00 2.46 H new ATOM 0 HG13 VAL A 19 -35.503 -63.814 -2.686 1.00 2.46 H new ATOM 0 HG21 VAL A 19 -35.235 -64.766 0.018 1.00 2.46 H new ATOM 0 HG22 VAL A 19 -34.341 -65.326 -1.415 1.00 2.46 H new ATOM 0 HG23 VAL A 19 -33.458 -64.852 0.055 1.00 2.46 H new ATOM 331 N VAL A 20 -32.868 -60.608 -1.952 1.00 2.23 N ATOM 332 CA VAL A 20 -32.903 -59.312 -2.639 1.00 2.86 C ATOM 333 C VAL A 20 -31.814 -59.199 -3.610 1.00 2.04 C ATOM 334 O VAL A 20 -32.061 -58.934 -4.779 1.00 1.52 O ATOM 335 CB VAL A 20 -32.769 -58.098 -1.704 1.00 2.67 C ATOM 336 CG1 VAL A 20 -32.674 -56.693 -2.401 1.00 2.46 C ATOM 337 CG2 VAL A 20 -34.005 -58.187 -0.768 1.00 2.46 C ATOM 0 H VAL A 20 -32.603 -60.569 -0.968 1.00 2.23 H new ATOM 0 HA VAL A 20 -33.885 -59.293 -3.113 1.00 2.86 H new ATOM 0 HB VAL A 20 -31.813 -58.153 -1.183 1.00 2.67 H new ATOM 0 HG11 VAL A 20 -32.583 -55.916 -1.642 1.00 2.46 H new ATOM 0 HG12 VAL A 20 -31.800 -56.668 -3.052 1.00 2.46 H new ATOM 0 HG13 VAL A 20 -33.573 -56.519 -2.993 1.00 2.46 H new ATOM 0 HG21 VAL A 20 -33.989 -57.355 -0.064 1.00 2.46 H new ATOM 0 HG22 VAL A 20 -34.917 -58.141 -1.364 1.00 2.46 H new ATOM 0 HG23 VAL A 20 -33.978 -59.128 -0.218 1.00 2.46 H new ATOM 347 N ASN A 21 -30.540 -59.642 -3.314 1.00 2.23 N ATOM 348 CA ASN A 21 -29.555 -59.698 -4.426 1.00 2.86 C ATOM 349 C ASN A 21 -29.982 -60.530 -5.623 1.00 2.04 C ATOM 350 O ASN A 21 -29.746 -60.249 -6.788 1.00 1.52 O ATOM 351 CB ASN A 21 -28.283 -60.362 -3.832 1.00 2.67 C ATOM 352 CG ASN A 21 -27.586 -59.446 -2.835 1.00 1.98 C ATOM 353 OD1 ASN A 21 -27.886 -58.261 -2.637 1.00 1.42 O ATOM 354 ND2 ASN A 21 -26.548 -59.943 -2.124 1.00 2.15 N ATOM 0 H ASN A 21 -30.205 -59.938 -2.397 1.00 2.23 H new ATOM 0 HA ASN A 21 -29.420 -58.682 -4.797 1.00 2.86 H new ATOM 0 HB2 ASN A 21 -28.555 -61.296 -3.340 1.00 2.67 H new ATOM 0 HB3 ASN A 21 -27.594 -60.615 -4.638 1.00 2.67 H new ATOM 0 HD21 ASN A 21 -26.052 -59.347 -1.461 1.00 2.15 H new ATOM 0 HD22 ASN A 21 -26.261 -60.914 -2.251 1.00 2.15 H new ATOM 361 N MET A 22 -30.617 -61.689 -5.361 1.00 2.23 N ATOM 362 CA MET A 22 -31.092 -62.562 -6.435 1.00 2.86 C ATOM 363 C MET A 22 -32.219 -61.946 -7.173 1.00 2.04 C ATOM 364 O MET A 22 -32.257 -61.968 -8.395 1.00 1.52 O ATOM 365 CB MET A 22 -31.675 -63.795 -5.753 1.00 2.67 C ATOM 366 CG MET A 22 -32.021 -65.022 -6.654 1.00 2.46 C ATOM 367 SD MET A 22 -32.489 -66.524 -5.821 1.00 2.00 S ATOM 368 CE MET A 22 -32.872 -67.249 -7.380 1.00 2.10 C ATOM 0 H MET A 22 -30.808 -62.034 -4.421 1.00 2.23 H new ATOM 0 HA MET A 22 -30.270 -62.767 -7.121 1.00 2.86 H new ATOM 0 HB2 MET A 22 -30.967 -64.125 -4.993 1.00 2.67 H new ATOM 0 HB3 MET A 22 -32.584 -63.493 -5.232 1.00 2.67 H new ATOM 0 HG2 MET A 22 -32.835 -64.735 -7.320 1.00 2.46 H new ATOM 0 HG3 MET A 22 -31.156 -65.237 -7.282 1.00 2.46 H new ATOM 0 HE1 MET A 22 -32.477 -68.264 -7.416 1.00 2.10 H new ATOM 0 HE2 MET A 22 -33.954 -67.276 -7.513 1.00 2.10 H new ATOM 0 HE3 MET A 22 -32.423 -66.656 -8.177 1.00 2.10 H new ATOM 378 N TYR A 23 -33.200 -61.312 -6.512 1.00 2.23 N ATOM 379 CA TYR A 23 -34.353 -60.643 -7.115 1.00 2.86 C ATOM 380 C TYR A 23 -33.882 -59.500 -8.029 1.00 2.04 C ATOM 381 O TYR A 23 -34.321 -59.377 -9.201 1.00 1.52 O ATOM 382 CB TYR A 23 -35.275 -60.238 -6.029 1.00 2.67 C ATOM 383 CG TYR A 23 -36.643 -59.825 -6.604 1.00 2.46 C ATOM 384 CD1 TYR A 23 -36.872 -58.463 -6.933 1.00 2.00 C ATOM 385 CD2 TYR A 23 -37.682 -60.751 -6.773 1.00 2.00 C ATOM 386 CE1 TYR A 23 -38.014 -58.084 -7.634 1.00 2.00 C ATOM 387 CE2 TYR A 23 -38.876 -60.317 -7.359 1.00 2.00 C ATOM 388 CZ TYR A 23 -39.035 -59.020 -7.853 1.00 2.00 C ATOM 389 OH TYR A 23 -40.243 -58.513 -8.317 1.00 1.85 O ATOM 0 H TYR A 23 -33.207 -61.252 -5.494 1.00 2.23 H new ATOM 0 HA TYR A 23 -34.914 -61.309 -7.770 1.00 2.86 H new ATOM 0 HB2 TYR A 23 -35.403 -61.062 -5.327 1.00 2.67 H new ATOM 0 HB3 TYR A 23 -34.844 -59.408 -5.470 1.00 2.67 H new ATOM 0 HD1 TYR A 23 -36.153 -57.713 -6.637 1.00 2.00 H new ATOM 0 HD2 TYR A 23 -37.563 -61.777 -6.458 1.00 2.00 H new ATOM 0 HE1 TYR A 23 -38.113 -57.075 -8.007 1.00 2.00 H new ATOM 0 HE2 TYR A 23 -39.703 -61.008 -7.432 1.00 2.00 H new ATOM 0 HH TYR A 23 -40.882 -59.247 -8.436 1.00 1.85 H new ATOM 399 N ILE A 24 -32.989 -58.561 -7.502 1.00 2.23 N ATOM 400 CA ILE A 24 -32.614 -57.349 -8.312 1.00 2.86 C ATOM 401 C ILE A 24 -31.897 -57.745 -9.614 1.00 2.04 C ATOM 402 O ILE A 24 -31.862 -57.021 -10.618 1.00 1.52 O ATOM 403 CB ILE A 24 -31.954 -56.147 -7.565 1.00 2.67 C ATOM 404 CG1 ILE A 24 -30.600 -56.499 -7.014 1.00 2.46 C ATOM 405 CG2 ILE A 24 -32.910 -55.810 -6.440 1.00 2.46 C ATOM 406 CD1 ILE A 24 -29.836 -55.450 -6.171 1.00 2.44 C ATOM 0 H ILE A 24 -32.551 -58.624 -6.583 1.00 2.23 H new ATOM 0 HA ILE A 24 -33.577 -56.908 -8.568 1.00 2.86 H new ATOM 0 HB ILE A 24 -31.789 -55.309 -8.242 1.00 2.67 H new ATOM 0 HG12 ILE A 24 -30.717 -57.392 -6.400 1.00 2.46 H new ATOM 0 HG13 ILE A 24 -29.963 -56.772 -7.856 1.00 2.46 H new ATOM 0 HG21 ILE A 24 -32.515 -54.972 -5.866 1.00 2.46 H new ATOM 0 HG22 ILE A 24 -33.881 -55.540 -6.856 1.00 2.46 H new ATOM 0 HG23 ILE A 24 -33.023 -56.675 -5.787 1.00 2.46 H new ATOM 0 HD11 ILE A 24 -28.880 -55.865 -5.853 1.00 2.44 H new ATOM 0 HD12 ILE A 24 -29.662 -54.557 -6.772 1.00 2.44 H new ATOM 0 HD13 ILE A 24 -30.427 -55.188 -5.294 1.00 2.44 H new ATOM 418 N ALA A 25 -31.134 -58.930 -9.570 1.00 2.23 N ATOM 419 CA ALA A 25 -30.516 -59.442 -10.748 1.00 2.86 C ATOM 420 C ALA A 25 -31.536 -60.030 -11.681 1.00 2.04 C ATOM 421 O ALA A 25 -31.479 -59.723 -12.903 1.00 1.52 O ATOM 422 CB ALA A 25 -29.474 -60.470 -10.370 1.00 2.67 C ATOM 0 H ALA A 25 -30.976 -59.483 -8.728 1.00 2.23 H new ATOM 0 HA ALA A 25 -30.028 -58.621 -11.273 1.00 2.86 H new ATOM 0 HB1 ALA A 25 -29.003 -60.860 -11.273 1.00 2.67 H new ATOM 0 HB2 ALA A 25 -28.717 -60.006 -9.738 1.00 2.67 H new ATOM 0 HB3 ALA A 25 -29.949 -61.287 -9.827 1.00 2.67 H new ATOM 428 N ILE A 26 -32.513 -60.847 -11.215 1.00 2.23 N ATOM 429 CA ILE A 26 -33.513 -61.311 -12.141 1.00 2.86 C ATOM 430 C ILE A 26 -34.413 -60.344 -12.905 1.00 2.04 C ATOM 431 O ILE A 26 -34.610 -60.532 -14.108 1.00 1.52 O ATOM 432 CB ILE A 26 -34.449 -62.267 -11.324 1.00 2.67 C ATOM 433 CG1 ILE A 26 -33.586 -63.483 -10.987 1.00 2.46 C ATOM 434 CG2 ILE A 26 -35.872 -62.616 -11.755 1.00 2.46 C ATOM 435 CD1 ILE A 26 -34.281 -64.773 -10.580 1.00 2.44 C ATOM 0 H ILE A 26 -32.609 -61.171 -10.253 1.00 2.23 H new ATOM 0 HA ILE A 26 -32.914 -61.732 -12.949 1.00 2.86 H new ATOM 0 HB ILE A 26 -34.783 -61.666 -10.478 1.00 2.67 H new ATOM 0 HG12 ILE A 26 -32.965 -63.700 -11.856 1.00 2.46 H new ATOM 0 HG13 ILE A 26 -32.913 -63.199 -10.178 1.00 2.46 H new ATOM 0 HG21 ILE A 26 -36.317 -63.295 -11.027 1.00 2.46 H new ATOM 0 HG22 ILE A 26 -36.468 -61.705 -11.814 1.00 2.46 H new ATOM 0 HG23 ILE A 26 -35.848 -63.098 -12.733 1.00 2.46 H new ATOM 0 HD11 ILE A 26 -33.534 -65.539 -10.374 1.00 2.44 H new ATOM 0 HD12 ILE A 26 -34.878 -64.598 -9.685 1.00 2.44 H new ATOM 0 HD13 ILE A 26 -34.930 -65.107 -11.389 1.00 2.44 H new ATOM 447 N ILE A 27 -34.818 -59.271 -12.289 1.00 2.23 N ATOM 448 CA ILE A 27 -35.467 -58.117 -12.805 1.00 2.86 C ATOM 449 C ILE A 27 -34.564 -57.365 -13.775 1.00 2.04 C ATOM 450 O ILE A 27 -34.986 -56.750 -14.760 1.00 1.52 O ATOM 451 CB ILE A 27 -36.327 -57.293 -11.776 1.00 2.67 C ATOM 452 CG1 ILE A 27 -37.354 -56.356 -12.459 1.00 2.46 C ATOM 453 CG2 ILE A 27 -35.368 -56.484 -10.828 1.00 2.46 C ATOM 454 CD1 ILE A 27 -38.469 -57.100 -13.246 1.00 2.44 C ATOM 0 H ILE A 27 -34.678 -59.182 -11.282 1.00 2.23 H new ATOM 0 HA ILE A 27 -36.294 -58.454 -13.430 1.00 2.86 H new ATOM 0 HB ILE A 27 -36.913 -58.002 -11.191 1.00 2.67 H new ATOM 0 HG12 ILE A 27 -37.818 -55.728 -11.698 1.00 2.46 H new ATOM 0 HG13 ILE A 27 -36.825 -55.691 -13.142 1.00 2.46 H new ATOM 0 HG21 ILE A 27 -35.960 -55.912 -10.114 1.00 2.46 H new ATOM 0 HG22 ILE A 27 -34.720 -57.176 -10.290 1.00 2.46 H new ATOM 0 HG23 ILE A 27 -34.759 -55.803 -11.422 1.00 2.46 H new ATOM 0 HD11 ILE A 27 -39.146 -56.372 -13.693 1.00 2.44 H new ATOM 0 HD12 ILE A 27 -38.017 -57.706 -14.031 1.00 2.44 H new ATOM 0 HD13 ILE A 27 -39.027 -57.744 -12.566 1.00 2.44 H new ATOM 466 N LEU A 28 -33.272 -57.305 -13.584 1.00 2.23 N ATOM 467 CA LEU A 28 -32.285 -56.765 -14.604 1.00 2.86 C ATOM 468 C LEU A 28 -32.229 -57.489 -15.964 1.00 2.04 C ATOM 469 O LEU A 28 -32.213 -56.855 -17.054 1.00 1.52 O ATOM 470 CB LEU A 28 -30.875 -56.827 -13.962 1.00 2.67 C ATOM 471 CG LEU A 28 -29.810 -55.947 -14.640 1.00 2.46 C ATOM 472 CD1 LEU A 28 -30.089 -54.425 -14.571 1.00 2.44 C ATOM 473 CD2 LEU A 28 -28.371 -56.338 -14.147 1.00 2.44 C ATOM 0 H LEU A 28 -32.827 -57.622 -12.722 1.00 2.23 H new ATOM 0 HA LEU A 28 -32.629 -55.758 -14.841 1.00 2.86 H new ATOM 0 HB2 LEU A 28 -30.956 -56.532 -12.916 1.00 2.67 H new ATOM 0 HB3 LEU A 28 -30.532 -57.861 -13.976 1.00 2.67 H new ATOM 0 HG LEU A 28 -29.869 -56.163 -15.707 1.00 2.46 H new ATOM 0 HD11 LEU A 28 -29.287 -53.885 -15.074 1.00 2.44 H new ATOM 0 HD12 LEU A 28 -31.037 -54.206 -15.062 1.00 2.44 H new ATOM 0 HD13 LEU A 28 -30.139 -54.111 -13.528 1.00 2.44 H new ATOM 0 HD21 LEU A 28 -27.633 -55.704 -14.639 1.00 2.44 H new ATOM 0 HD22 LEU A 28 -28.306 -56.200 -13.068 1.00 2.44 H new ATOM 0 HD23 LEU A 28 -28.173 -57.382 -14.392 1.00 2.44 H new ATOM 485 N GLU A 29 -32.048 -58.772 -15.829 1.00 2.23 N ATOM 486 CA GLU A 29 -32.120 -59.638 -16.916 1.00 2.86 C ATOM 487 C GLU A 29 -33.436 -59.665 -17.659 1.00 2.04 C ATOM 488 O GLU A 29 -33.532 -59.532 -18.845 1.00 1.52 O ATOM 489 CB GLU A 29 -31.811 -61.078 -16.463 1.00 2.67 C ATOM 490 CG GLU A 29 -31.931 -62.233 -17.565 1.00 2.77 C ATOM 491 CD GLU A 29 -31.088 -61.952 -18.792 1.00 1.98 C ATOM 492 OE1 GLU A 29 -31.504 -62.528 -19.845 1.00 1.40 O ATOM 493 OE2 GLU A 29 -30.048 -61.234 -18.826 1.00 1.40 O1- ATOM 0 H GLU A 29 -31.845 -59.228 -14.940 1.00 2.23 H new ATOM 0 HA GLU A 29 -31.381 -59.243 -17.613 1.00 2.86 H new ATOM 0 HB2 GLU A 29 -30.797 -61.096 -16.063 1.00 2.67 H new ATOM 0 HB3 GLU A 29 -32.482 -61.325 -15.640 1.00 2.67 H new ATOM 0 HG2 GLU A 29 -31.624 -63.183 -17.127 1.00 2.77 H new ATOM 0 HG3 GLU A 29 -32.974 -62.341 -17.862 1.00 2.77 H new ATOM 500 N ASN A 30 -34.558 -59.883 -16.898 1.00 2.23 N ATOM 501 CA ASN A 30 -35.868 -59.859 -17.456 1.00 2.86 C ATOM 502 C ASN A 30 -36.344 -58.503 -18.078 1.00 2.04 C ATOM 503 O ASN A 30 -36.922 -58.646 -19.190 1.00 1.52 O ATOM 504 CB ASN A 30 -36.940 -60.342 -16.478 1.00 2.67 C ATOM 505 CG ASN A 30 -36.950 -61.869 -16.480 1.00 1.98 C ATOM 506 OD1 ASN A 30 -37.444 -62.560 -17.310 1.00 1.42 O ATOM 507 ND2 ASN A 30 -36.293 -62.516 -15.506 1.00 2.15 N ATOM 0 H ASN A 30 -34.534 -60.074 -15.896 1.00 2.23 H new ATOM 0 HA ASN A 30 -35.757 -60.557 -18.286 1.00 2.86 H new ATOM 0 HB2 ASN A 30 -36.734 -59.967 -15.476 1.00 2.67 H new ATOM 0 HB3 ASN A 30 -37.918 -59.957 -16.768 1.00 2.67 H new ATOM 0 HD21 ASN A 30 -36.244 -63.535 -15.514 1.00 2.15 H new ATOM 0 HD22 ASN A 30 -35.842 -61.989 -14.758 1.00 2.15 H new ATOM 514 N PHE A 31 -36.022 -57.285 -17.521 1.00 2.23 N ATOM 515 CA PHE A 31 -36.334 -56.053 -18.127 1.00 2.86 C ATOM 516 C PHE A 31 -35.566 -55.864 -19.368 1.00 2.04 C ATOM 517 O PHE A 31 -36.163 -55.538 -20.411 1.00 1.52 O ATOM 518 CB PHE A 31 -35.997 -54.996 -17.006 1.00 2.67 C ATOM 519 CG PHE A 31 -36.514 -53.630 -17.264 1.00 2.46 C ATOM 520 CD1 PHE A 31 -35.540 -52.630 -17.468 1.00 2.00 C ATOM 521 CD2 PHE A 31 -37.865 -53.310 -17.011 1.00 2.00 C ATOM 522 CE1 PHE A 31 -35.924 -51.285 -17.562 1.00 2.00 C ATOM 523 CE2 PHE A 31 -38.235 -51.921 -17.152 1.00 2.00 C ATOM 524 CZ PHE A 31 -37.252 -50.896 -17.381 1.00 2.00 C ATOM 0 H PHE A 31 -35.535 -57.191 -16.630 1.00 2.23 H new ATOM 0 HA PHE A 31 -37.372 -55.970 -18.450 1.00 2.86 H new ATOM 0 HB2 PHE A 31 -36.403 -55.350 -16.058 1.00 2.67 H new ATOM 0 HB3 PHE A 31 -34.915 -54.944 -16.889 1.00 2.67 H new ATOM 0 HD1 PHE A 31 -34.498 -52.901 -17.552 1.00 2.00 H new ATOM 0 HD2 PHE A 31 -38.584 -54.064 -16.727 1.00 2.00 H new ATOM 0 HE1 PHE A 31 -35.178 -50.535 -17.779 1.00 2.00 H new ATOM 0 HE2 PHE A 31 -39.277 -51.645 -17.084 1.00 2.00 H new ATOM 0 HZ PHE A 31 -37.534 -49.854 -17.412 1.00 2.00 H new ATOM 534 N LYS A 32 -34.281 -56.196 -19.425 1.00 2.23 N ATOM 535 CA LYS A 32 -33.424 -56.204 -20.566 1.00 2.86 C ATOM 536 C LYS A 32 -33.927 -57.096 -21.698 1.00 2.04 C ATOM 537 O LYS A 32 -33.796 -56.772 -22.855 1.00 1.52 O ATOM 538 CB LYS A 32 -31.982 -56.623 -20.075 1.00 2.67 C ATOM 539 CG LYS A 32 -30.865 -56.557 -21.111 1.00 2.46 C ATOM 540 CD LYS A 32 -29.450 -56.806 -20.605 1.00 2.44 C ATOM 541 CE LYS A 32 -29.125 -57.996 -19.552 1.00 2.80 C ATOM 542 NZ LYS A 32 -29.441 -59.215 -20.299 1.00 2.13 N1+ ATOM 0 H LYS A 32 -33.783 -56.491 -18.585 1.00 2.23 H new ATOM 0 HA LYS A 32 -33.403 -55.205 -21.002 1.00 2.86 H new ATOM 0 HB2 LYS A 32 -31.708 -55.983 -19.236 1.00 2.67 H new ATOM 0 HB3 LYS A 32 -32.034 -57.643 -19.694 1.00 2.67 H new ATOM 0 HG2 LYS A 32 -31.081 -57.286 -21.892 1.00 2.46 H new ATOM 0 HG3 LYS A 32 -30.891 -55.573 -21.578 1.00 2.46 H new ATOM 0 HD2 LYS A 32 -28.826 -56.979 -21.482 1.00 2.44 H new ATOM 0 HD3 LYS A 32 -29.108 -55.877 -20.149 1.00 2.44 H new ATOM 0 HE2 LYS A 32 -28.082 -57.978 -19.237 1.00 2.80 H new ATOM 0 HE3 LYS A 32 -29.732 -57.910 -18.650 1.00 2.80 H new ATOM 0 HZ1 LYS A 32 -29.477 -60.023 -19.645 1.00 2.13 H new ATOM 0 HZ2 LYS A 32 -30.364 -59.107 -20.766 1.00 2.13 H new ATOM 0 HZ3 LYS A 32 -28.707 -59.382 -21.017 1.00 2.13 H new ATOM 556 N LYS A 33 -34.523 -58.302 -21.395 1.00 2.23 N ATOM 557 CA LYS A 33 -35.112 -59.259 -22.316 1.00 2.86 C ATOM 558 C LYS A 33 -36.362 -58.692 -22.965 1.00 2.04 C ATOM 559 O LYS A 33 -36.510 -58.567 -24.213 1.00 1.52 O ATOM 560 CB LYS A 33 -35.318 -60.563 -21.589 1.00 2.67 C ATOM 561 CG LYS A 33 -35.752 -61.757 -22.464 1.00 2.46 C ATOM 562 CD LYS A 33 -35.948 -63.012 -21.599 1.00 2.44 C ATOM 563 CE LYS A 33 -36.392 -64.318 -22.357 1.00 2.80 C ATOM 564 NZ LYS A 33 -35.492 -64.714 -23.466 1.00 2.13 N1+ ATOM 0 H LYS A 33 -34.593 -58.622 -20.429 1.00 2.23 H new ATOM 0 HA LYS A 33 -34.440 -59.461 -23.150 1.00 2.86 H new ATOM 0 HB2 LYS A 33 -34.389 -60.826 -21.083 1.00 2.67 H new ATOM 0 HB3 LYS A 33 -36.071 -60.411 -20.815 1.00 2.67 H new ATOM 0 HG2 LYS A 33 -36.680 -61.517 -22.983 1.00 2.46 H new ATOM 0 HG3 LYS A 33 -34.999 -61.948 -23.228 1.00 2.46 H new ATOM 0 HD2 LYS A 33 -35.012 -63.219 -21.079 1.00 2.44 H new ATOM 0 HD3 LYS A 33 -36.694 -62.789 -20.836 1.00 2.44 H new ATOM 0 HE2 LYS A 33 -36.450 -65.138 -21.641 1.00 2.80 H new ATOM 0 HE3 LYS A 33 -37.396 -64.170 -22.754 1.00 2.80 H new ATOM 0 HZ1 LYS A 33 -35.853 -65.581 -23.913 1.00 2.13 H new ATOM 0 HZ2 LYS A 33 -35.454 -63.951 -24.171 1.00 2.13 H new ATOM 0 HZ3 LYS A 33 -34.537 -64.889 -23.093 1.00 2.13 H new ATOM 578 N LYS A 34 -37.324 -58.217 -22.126 1.00 2.23 N ATOM 579 CA LYS A 34 -38.569 -57.570 -22.643 1.00 2.86 C ATOM 580 C LYS A 34 -38.259 -56.208 -23.440 1.00 2.04 C ATOM 581 O LYS A 34 -38.853 -55.872 -24.475 1.00 1.52 O ATOM 582 CB LYS A 34 -39.555 -57.418 -21.474 1.00 2.67 C ATOM 583 CG LYS A 34 -40.872 -56.651 -21.664 1.00 2.46 C ATOM 584 CD LYS A 34 -41.911 -57.355 -22.613 1.00 2.44 C ATOM 585 CE LYS A 34 -42.045 -57.074 -24.151 1.00 2.80 C ATOM 586 NZ LYS A 34 -43.023 -58.012 -24.866 1.00 2.13 N1+ ATOM 0 H LYS A 34 -37.267 -58.267 -21.109 1.00 2.23 H new ATOM 0 HA LYS A 34 -39.042 -58.202 -23.395 1.00 2.86 H new ATOM 0 HB2 LYS A 34 -39.812 -58.422 -21.137 1.00 2.67 H new ATOM 0 HB3 LYS A 34 -39.016 -56.936 -20.658 1.00 2.67 H new ATOM 0 HG2 LYS A 34 -41.334 -56.502 -20.688 1.00 2.46 H new ATOM 0 HG3 LYS A 34 -40.647 -55.662 -22.064 1.00 2.46 H new ATOM 0 HD2 LYS A 34 -41.730 -58.426 -22.517 1.00 2.44 H new ATOM 0 HD3 LYS A 34 -42.893 -57.158 -22.184 1.00 2.44 H new ATOM 0 HE2 LYS A 34 -42.371 -56.044 -24.296 1.00 2.80 H new ATOM 0 HE3 LYS A 34 -41.063 -57.165 -24.615 1.00 2.80 H new ATOM 0 HZ1 LYS A 34 -43.061 -57.769 -25.877 1.00 2.13 H new ATOM 0 HZ2 LYS A 34 -42.702 -58.995 -24.758 1.00 2.13 H new ATOM 0 HZ3 LYS A 34 -43.970 -57.909 -24.449 1.00 2.13 H new HETATM 600 N NH2 A 35 -37.425 -55.275 -22.894 1.00 2.23 N TER 603 NH2 A 35