USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 319 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -169:sc=-0.00316 (180deg=-0.146) USER MOD Single : A 6 CYS SG : rot 180:sc= 0.0738 USER MOD Single : A 9 CYS SG : rot 74:sc= 0.344 USER MOD Single : A 10 SER OG : rot 128:sc= 1.18 USER MOD Single : A 11 TYR OH : rot 70:sc= 0.0579 USER MOD Single : A 15 SER OG : rot 68:sc= 1.25 USER MOD Single : A 21 ASN : amide:sc= -0.0254 X(o=-0.025,f=-0.05) USER MOD Single : A 22 MET CE :methyl -174:sc= 0 (180deg=-0.131) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0119 K(o=-0.012,f=-1) 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 -32.942 -62.337 31.462 1.00 2.23 N ATOM 2 CA LYS A 1 -32.682 -61.620 30.154 1.00 2.86 C ATOM 3 C LYS A 1 -32.465 -62.569 28.996 1.00 2.04 C ATOM 4 O LYS A 1 -32.843 -63.773 28.949 1.00 1.52 O ATOM 5 CB LYS A 1 -31.575 -60.497 30.328 1.00 2.67 C ATOM 6 CG LYS A 1 -30.156 -61.089 30.567 1.00 2.46 C ATOM 7 CD LYS A 1 -29.021 -60.137 30.835 1.00 2.44 C ATOM 8 CE LYS A 1 -27.628 -60.672 30.603 1.00 2.80 C ATOM 9 NZ LYS A 1 -27.304 -61.635 31.619 1.00 2.13 N1+ ATOM 0 H1 LYS A 1 -33.083 -61.638 32.219 1.00 2.23 H new ATOM 0 H2 LYS A 1 -33.794 -62.926 31.371 1.00 2.23 H new ATOM 0 H3 LYS A 1 -32.127 -62.940 31.695 1.00 2.23 H new ATOM 0 HA LYS A 1 -33.590 -61.087 29.872 1.00 2.86 H new ATOM 0 HB2 LYS A 1 -31.557 -59.868 29.438 1.00 2.67 H new ATOM 0 HB3 LYS A 1 -31.843 -59.855 31.167 1.00 2.67 H new ATOM 0 HG2 LYS A 1 -30.220 -61.776 31.411 1.00 2.46 H new ATOM 0 HG3 LYS A 1 -29.892 -61.683 29.692 1.00 2.46 H new ATOM 0 HD2 LYS A 1 -29.158 -59.257 30.207 1.00 2.44 H new ATOM 0 HD3 LYS A 1 -29.091 -59.804 31.871 1.00 2.44 H new ATOM 0 HE2 LYS A 1 -27.565 -61.133 29.618 1.00 2.80 H new ATOM 0 HE3 LYS A 1 -26.907 -59.855 30.619 1.00 2.80 H new ATOM 0 HZ1 LYS A 1 -26.344 -62.002 31.457 1.00 2.13 H new ATOM 0 HZ2 LYS A 1 -27.348 -61.181 32.554 1.00 2.13 H new ATOM 0 HZ3 LYS A 1 -27.985 -62.420 31.583 1.00 2.13 H new ATOM 25 N LYS A 2 -31.917 -62.012 27.881 1.00 2.23 N ATOM 26 CA LYS A 2 -31.472 -62.755 26.696 1.00 2.86 C ATOM 27 C LYS A 2 -29.990 -62.328 26.449 1.00 2.04 C ATOM 28 O LYS A 2 -29.608 -61.265 26.888 1.00 1.52 O ATOM 29 CB LYS A 2 -32.256 -62.393 25.426 1.00 2.67 C ATOM 30 CG LYS A 2 -33.743 -62.775 25.395 1.00 2.46 C ATOM 31 CD LYS A 2 -33.998 -64.258 25.639 1.00 2.44 C ATOM 32 CE LYS A 2 -35.470 -64.764 25.459 1.00 2.80 C ATOM 33 NZ LYS A 2 -36.349 -64.310 26.527 1.00 2.13 N1+ ATOM 0 H LYS A 2 -31.774 -61.006 27.792 1.00 2.23 H new ATOM 0 HA LYS A 2 -31.614 -63.820 26.882 1.00 2.86 H new ATOM 0 HB2 LYS A 2 -32.179 -61.316 25.275 1.00 2.67 H new ATOM 0 HB3 LYS A 2 -31.766 -62.869 24.577 1.00 2.67 H new ATOM 0 HG2 LYS A 2 -34.274 -62.195 26.149 1.00 2.46 H new ATOM 0 HG3 LYS A 2 -34.161 -62.498 24.427 1.00 2.46 H new ATOM 0 HD2 LYS A 2 -33.359 -64.827 24.964 1.00 2.44 H new ATOM 0 HD3 LYS A 2 -33.680 -64.494 26.654 1.00 2.44 H new ATOM 0 HE2 LYS A 2 -35.856 -64.415 24.501 1.00 2.80 H new ATOM 0 HE3 LYS A 2 -35.475 -65.854 25.427 1.00 2.80 H new ATOM 0 HZ1 LYS A 2 -37.310 -64.671 26.362 1.00 2.13 H new ATOM 0 HZ2 LYS A 2 -35.998 -64.664 27.440 1.00 2.13 H new ATOM 0 HZ3 LYS A 2 -36.367 -63.270 26.543 1.00 2.13 H new ATOM 47 N LYS A 3 -29.304 -63.180 25.733 1.00 2.23 N ATOM 48 CA LYS A 3 -27.978 -62.777 25.417 1.00 2.86 C ATOM 49 C LYS A 3 -27.651 -63.547 24.201 1.00 2.04 C ATOM 50 O LYS A 3 -27.990 -64.714 24.162 1.00 1.52 O ATOM 51 CB LYS A 3 -26.828 -63.104 26.589 1.00 2.67 C ATOM 52 CG LYS A 3 -25.504 -62.306 26.498 1.00 2.46 C ATOM 53 CD LYS A 3 -24.517 -62.665 27.652 1.00 2.44 C ATOM 54 CE LYS A 3 -23.166 -61.930 27.608 1.00 2.80 C ATOM 55 NZ LYS A 3 -22.494 -62.216 26.387 1.00 2.13 N1+ ATOM 0 H LYS A 3 -29.616 -64.086 25.385 1.00 2.23 H new ATOM 0 HA LYS A 3 -27.952 -61.693 25.310 1.00 2.86 H new ATOM 0 HB2 LYS A 3 -27.273 -62.916 27.566 1.00 2.67 H new ATOM 0 HB3 LYS A 3 -26.590 -64.167 26.546 1.00 2.67 H new ATOM 0 HG2 LYS A 3 -25.027 -62.506 25.539 1.00 2.46 H new ATOM 0 HG3 LYS A 3 -25.723 -61.239 26.528 1.00 2.46 H new ATOM 0 HD2 LYS A 3 -25.001 -62.447 28.604 1.00 2.44 H new ATOM 0 HD3 LYS A 3 -24.330 -63.739 27.628 1.00 2.44 H new ATOM 0 HE2 LYS A 3 -23.324 -60.856 27.702 1.00 2.80 H new ATOM 0 HE3 LYS A 3 -22.549 -62.236 28.452 1.00 2.80 H new ATOM 0 HZ1 LYS A 3 -21.514 -61.873 26.442 1.00 2.13 H new ATOM 0 HZ2 LYS A 3 -22.493 -63.243 26.224 1.00 2.13 H new ATOM 0 HZ3 LYS A 3 -22.984 -61.741 25.602 1.00 2.13 H new ATOM 69 N GLY A 4 -26.975 -62.864 23.260 1.00 2.23 N ATOM 70 CA GLY A 4 -26.667 -63.501 21.961 1.00 2.38 C ATOM 71 C GLY A 4 -27.664 -63.414 20.853 1.00 2.04 C ATOM 72 O GLY A 4 -27.771 -64.192 19.963 1.00 1.52 O ATOM 0 H GLY A 4 -26.641 -61.906 23.364 1.00 2.23 H new ATOM 0 HA2 GLY A 4 -25.734 -63.070 21.597 1.00 2.38 H new ATOM 0 HA3 GLY A 4 -26.478 -64.558 22.150 1.00 2.38 H new ATOM 76 N ILE A 5 -28.384 -62.279 20.930 1.00 2.23 N ATOM 77 CA ILE A 5 -29.379 -62.024 19.834 1.00 2.86 C ATOM 78 C ILE A 5 -28.756 -61.401 18.678 1.00 2.04 C ATOM 79 O ILE A 5 -29.370 -61.143 17.625 1.00 1.52 O ATOM 80 CB ILE A 5 -30.721 -61.378 20.284 1.00 2.67 C ATOM 81 CG1 ILE A 5 -30.520 -60.006 20.882 1.00 2.46 C ATOM 82 CG2 ILE A 5 -31.404 -62.285 21.283 1.00 2.46 C ATOM 83 CD1 ILE A 5 -31.771 -59.126 20.589 1.00 2.44 C ATOM 0 H ILE A 5 -28.320 -61.572 21.662 1.00 2.23 H new ATOM 0 HA ILE A 5 -29.713 -63.009 19.507 1.00 2.86 H new ATOM 0 HB ILE A 5 -31.347 -61.256 19.400 1.00 2.67 H new ATOM 0 HG12 ILE A 5 -30.361 -60.086 21.957 1.00 2.46 H new ATOM 0 HG13 ILE A 5 -29.628 -59.541 20.462 1.00 2.46 H new ATOM 0 HG21 ILE A 5 -32.345 -61.834 21.600 1.00 2.46 H new ATOM 0 HG22 ILE A 5 -31.602 -63.252 20.820 1.00 2.46 H new ATOM 0 HG23 ILE A 5 -30.758 -62.423 22.150 1.00 2.46 H new ATOM 0 HD11 ILE A 5 -31.628 -58.135 21.020 1.00 2.44 H new ATOM 0 HD12 ILE A 5 -31.909 -59.037 19.511 1.00 2.44 H new ATOM 0 HD13 ILE A 5 -32.653 -59.590 21.030 1.00 2.44 H new ATOM 95 N CYS A 6 -27.450 -61.012 18.838 1.00 2.23 N ATOM 96 CA CYS A 6 -26.642 -60.530 17.840 1.00 2.86 C ATOM 97 C CYS A 6 -26.337 -61.559 16.766 1.00 2.04 C ATOM 98 O CYS A 6 -26.130 -61.310 15.647 1.00 1.52 O ATOM 99 CB CYS A 6 -25.340 -59.945 18.419 1.00 2.67 C ATOM 100 SG CYS A 6 -24.443 -61.112 19.477 1.00 2.00 S ATOM 0 H CYS A 6 -26.977 -61.057 19.741 1.00 2.23 H new ATOM 0 HA CYS A 6 -27.203 -59.732 17.353 1.00 2.86 H new ATOM 0 HB2 CYS A 6 -24.692 -59.636 17.599 1.00 2.67 H new ATOM 0 HB3 CYS A 6 -25.576 -59.050 18.994 1.00 2.67 H new ATOM 0 HG CYS A 6 -23.360 -60.549 19.924 1.00 2.00 H new ATOM 106 N PHE A 7 -26.288 -62.849 17.094 1.00 2.23 N ATOM 107 CA PHE A 7 -26.294 -63.934 16.142 1.00 2.86 C ATOM 108 C PHE A 7 -27.651 -64.153 15.527 1.00 2.04 C ATOM 109 O PHE A 7 -27.813 -64.338 14.318 1.00 1.52 O ATOM 110 CB PHE A 7 -25.901 -65.303 16.775 1.00 2.67 C ATOM 111 CG PHE A 7 -24.463 -65.420 17.006 1.00 2.46 C ATOM 112 CD1 PHE A 7 -23.904 -65.194 18.290 1.00 2.00 C ATOM 113 CD2 PHE A 7 -23.547 -65.680 15.943 1.00 2.00 C ATOM 114 CE1 PHE A 7 -22.500 -65.280 18.476 1.00 2.00 C ATOM 115 CE2 PHE A 7 -22.141 -65.672 16.055 1.00 2.00 C ATOM 116 CZ PHE A 7 -21.607 -65.498 17.403 1.00 2.00 C ATOM 0 H PHE A 7 -26.242 -63.167 18.062 1.00 2.23 H new ATOM 0 HA PHE A 7 -25.562 -63.625 15.396 1.00 2.86 H new ATOM 0 HB2 PHE A 7 -26.429 -65.427 17.720 1.00 2.67 H new ATOM 0 HB3 PHE A 7 -26.227 -66.110 16.119 1.00 2.67 H new ATOM 0 HD1 PHE A 7 -24.546 -64.957 19.125 1.00 2.00 H new ATOM 0 HD2 PHE A 7 -23.965 -65.901 14.972 1.00 2.00 H new ATOM 0 HE1 PHE A 7 -22.100 -65.175 19.474 1.00 2.00 H new ATOM 0 HE2 PHE A 7 -21.498 -65.788 15.195 1.00 2.00 H new ATOM 0 HZ PHE A 7 -20.542 -65.536 17.578 1.00 2.00 H new ATOM 126 N PHE A 8 -28.729 -64.149 16.306 1.00 2.23 N ATOM 127 CA PHE A 8 -30.099 -64.404 15.889 1.00 2.86 C ATOM 128 C PHE A 8 -30.603 -63.384 14.798 1.00 2.04 C ATOM 129 O PHE A 8 -31.163 -63.725 13.822 1.00 1.52 O ATOM 130 CB PHE A 8 -31.006 -64.327 17.206 1.00 2.67 C ATOM 131 CG PHE A 8 -32.356 -65.117 17.087 1.00 2.46 C ATOM 132 CD1 PHE A 8 -33.527 -64.574 16.487 1.00 2.00 C ATOM 133 CD2 PHE A 8 -32.522 -66.327 17.805 1.00 2.00 C ATOM 134 CE1 PHE A 8 -34.681 -65.360 16.286 1.00 2.00 C ATOM 135 CE2 PHE A 8 -33.740 -67.000 17.748 1.00 2.00 C ATOM 136 CZ PHE A 8 -34.781 -66.604 16.908 1.00 2.00 C ATOM 0 H PHE A 8 -28.662 -63.956 17.305 1.00 2.23 H new ATOM 0 HA PHE A 8 -30.162 -65.385 15.419 1.00 2.86 H new ATOM 0 HB2 PHE A 8 -30.439 -64.718 18.051 1.00 2.67 H new ATOM 0 HB3 PHE A 8 -31.225 -63.282 17.426 1.00 2.67 H new ATOM 0 HD1 PHE A 8 -33.532 -63.539 16.179 1.00 2.00 H new ATOM 0 HD2 PHE A 8 -31.709 -66.725 18.393 1.00 2.00 H new ATOM 0 HE1 PHE A 8 -35.481 -65.001 15.655 1.00 2.00 H new ATOM 0 HE2 PHE A 8 -33.884 -67.864 18.380 1.00 2.00 H new ATOM 0 HZ PHE A 8 -35.638 -67.241 16.745 1.00 2.00 H new ATOM 146 N CYS A 9 -30.390 -62.074 14.947 1.00 2.23 N ATOM 147 CA CYS A 9 -30.868 -61.101 13.957 1.00 2.86 C ATOM 148 C CYS A 9 -29.984 -61.118 12.719 1.00 2.04 C ATOM 149 O CYS A 9 -30.515 -61.085 11.581 1.00 1.52 O ATOM 150 CB CYS A 9 -30.906 -59.698 14.668 1.00 2.67 C ATOM 151 SG CYS A 9 -31.780 -59.545 16.161 1.00 2.00 S ATOM 0 H CYS A 9 -29.893 -61.663 15.737 1.00 2.23 H new ATOM 0 HA CYS A 9 -31.869 -61.348 13.603 1.00 2.86 H new ATOM 0 HB2 CYS A 9 -29.876 -59.394 14.855 1.00 2.67 H new ATOM 0 HB3 CYS A 9 -31.327 -58.981 13.963 1.00 2.67 H new ATOM 0 HG CYS A 9 -31.106 -60.110 17.118 1.00 2.00 H new ATOM 157 N SER A 10 -28.680 -61.302 12.880 1.00 2.23 N ATOM 158 CA SER A 10 -27.759 -61.550 11.846 1.00 2.86 C ATOM 159 C SER A 10 -28.242 -62.638 10.879 1.00 2.04 C ATOM 160 O SER A 10 -28.357 -62.351 9.664 1.00 1.52 O ATOM 161 CB SER A 10 -26.314 -61.900 12.446 1.00 2.67 C ATOM 162 OG SER A 10 -25.853 -60.780 13.209 1.00 1.64 O ATOM 0 H SER A 10 -28.240 -61.275 13.800 1.00 2.23 H new ATOM 0 HA SER A 10 -27.676 -60.633 11.262 1.00 2.86 H new ATOM 0 HB2 SER A 10 -26.371 -62.789 13.075 1.00 2.67 H new ATOM 0 HB3 SER A 10 -25.614 -62.123 11.641 1.00 2.67 H new ATOM 0 HG SER A 10 -25.578 -61.082 14.100 1.00 1.64 H new ATOM 168 N TYR A 11 -28.585 -63.852 11.386 1.00 2.23 N ATOM 169 CA TYR A 11 -29.049 -65.007 10.567 1.00 2.86 C ATOM 170 C TYR A 11 -30.239 -64.629 9.674 1.00 2.04 C ATOM 171 O TYR A 11 -30.282 -64.985 8.450 1.00 1.52 O ATOM 172 CB TYR A 11 -29.268 -66.332 11.512 1.00 2.67 C ATOM 173 CG TYR A 11 -28.044 -66.888 12.140 1.00 2.46 C ATOM 174 CD1 TYR A 11 -26.692 -66.643 11.811 1.00 2.00 C ATOM 175 CD2 TYR A 11 -28.301 -67.743 13.212 1.00 2.00 C ATOM 176 CE1 TYR A 11 -25.645 -67.165 12.572 1.00 2.00 C ATOM 177 CE2 TYR A 11 -27.251 -68.232 14.001 1.00 2.00 C ATOM 178 CZ TYR A 11 -25.932 -68.005 13.655 1.00 2.00 C ATOM 179 OH TYR A 11 -24.879 -68.580 14.315 1.00 1.85 O ATOM 0 H TYR A 11 -28.547 -64.059 12.384 1.00 2.23 H new ATOM 0 HA TYR A 11 -28.270 -65.287 9.858 1.00 2.86 H new ATOM 0 HB2 TYR A 11 -29.975 -66.079 12.302 1.00 2.67 H new ATOM 0 HB3 TYR A 11 -29.730 -67.113 10.908 1.00 2.67 H new ATOM 0 HD1 TYR A 11 -26.463 -66.036 10.948 1.00 2.00 H new ATOM 0 HD2 TYR A 11 -29.318 -68.030 13.436 1.00 2.00 H new ATOM 0 HE1 TYR A 11 -24.621 -66.923 12.327 1.00 2.00 H new ATOM 0 HE2 TYR A 11 -27.476 -68.796 14.894 1.00 2.00 H new ATOM 0 HH TYR A 11 -24.388 -67.891 14.810 1.00 1.85 H new ATOM 189 N ILE A 12 -31.271 -63.978 10.253 1.00 2.23 N ATOM 190 CA ILE A 12 -32.529 -63.607 9.602 1.00 2.86 C ATOM 191 C ILE A 12 -32.257 -62.588 8.516 1.00 2.04 C ATOM 192 O ILE A 12 -32.706 -62.792 7.366 1.00 1.52 O ATOM 193 CB ILE A 12 -33.462 -63.077 10.642 1.00 2.67 C ATOM 194 CG1 ILE A 12 -33.982 -64.308 11.475 1.00 2.46 C ATOM 195 CG2 ILE A 12 -34.543 -62.265 10.023 1.00 2.46 C ATOM 196 CD1 ILE A 12 -34.331 -63.779 12.897 1.00 2.44 C ATOM 0 H ILE A 12 -31.240 -63.688 11.230 1.00 2.23 H new ATOM 0 HA ILE A 12 -32.992 -64.473 9.129 1.00 2.86 H new ATOM 0 HB ILE A 12 -32.958 -62.390 11.321 1.00 2.67 H new ATOM 0 HG12 ILE A 12 -34.859 -64.751 11.002 1.00 2.46 H new ATOM 0 HG13 ILE A 12 -33.221 -65.087 11.529 1.00 2.46 H new ATOM 0 HG21 ILE A 12 -35.208 -61.891 10.801 1.00 2.46 H new ATOM 0 HG22 ILE A 12 -34.104 -61.424 9.486 1.00 2.46 H new ATOM 0 HG23 ILE A 12 -35.110 -62.884 9.327 1.00 2.46 H new ATOM 0 HD11 ILE A 12 -34.697 -64.601 13.511 1.00 2.44 H new ATOM 0 HD12 ILE A 12 -33.439 -63.353 13.356 1.00 2.44 H new ATOM 0 HD13 ILE A 12 -35.102 -63.012 12.821 1.00 2.44 H new ATOM 208 N ILE A 13 -31.455 -61.572 8.832 1.00 2.23 N ATOM 209 CA ILE A 13 -31.185 -60.502 7.856 1.00 2.86 C ATOM 210 C ILE A 13 -30.335 -61.066 6.680 1.00 2.04 C ATOM 211 O ILE A 13 -30.625 -60.926 5.526 1.00 1.52 O ATOM 212 CB ILE A 13 -30.628 -59.204 8.416 1.00 2.67 C ATOM 213 CG1 ILE A 13 -31.687 -58.478 9.192 1.00 2.46 C ATOM 214 CG2 ILE A 13 -30.159 -58.289 7.315 1.00 2.46 C ATOM 215 CD1 ILE A 13 -31.123 -57.579 10.277 1.00 2.44 C ATOM 0 H ILE A 13 -30.988 -61.462 9.732 1.00 2.23 H new ATOM 0 HA ILE A 13 -32.161 -60.188 7.487 1.00 2.86 H new ATOM 0 HB ILE A 13 -29.788 -59.466 9.059 1.00 2.67 H new ATOM 0 HG12 ILE A 13 -32.284 -57.877 8.506 1.00 2.46 H new ATOM 0 HG13 ILE A 13 -32.359 -59.206 9.646 1.00 2.46 H new ATOM 0 HG21 ILE A 13 -29.766 -57.369 7.749 1.00 2.46 H new ATOM 0 HG22 ILE A 13 -29.375 -58.783 6.741 1.00 2.46 H new ATOM 0 HG23 ILE A 13 -30.996 -58.052 6.658 1.00 2.46 H new ATOM 0 HD11 ILE A 13 -31.941 -57.083 10.800 1.00 2.44 H new ATOM 0 HD12 ILE A 13 -30.550 -58.178 10.984 1.00 2.44 H new ATOM 0 HD13 ILE A 13 -30.473 -56.829 9.827 1.00 2.44 H new ATOM 227 N ILE A 14 -29.245 -61.810 6.919 1.00 2.23 N ATOM 228 CA ILE A 14 -28.468 -62.290 5.829 1.00 2.86 C ATOM 229 C ILE A 14 -29.188 -63.348 4.952 1.00 2.04 C ATOM 230 O ILE A 14 -28.851 -63.447 3.796 1.00 1.52 O ATOM 231 CB ILE A 14 -27.111 -62.685 6.310 1.00 2.67 C ATOM 232 CG1 ILE A 14 -26.982 -63.987 7.131 1.00 2.46 C ATOM 233 CG2 ILE A 14 -26.596 -61.484 7.130 1.00 2.46 C ATOM 234 CD1 ILE A 14 -25.547 -64.529 7.204 1.00 2.44 C ATOM 0 H ILE A 14 -28.909 -62.074 7.845 1.00 2.23 H new ATOM 0 HA ILE A 14 -28.331 -61.470 5.124 1.00 2.86 H new ATOM 0 HB ILE A 14 -26.523 -62.924 5.424 1.00 2.67 H new ATOM 0 HG12 ILE A 14 -27.345 -63.806 8.143 1.00 2.46 H new ATOM 0 HG13 ILE A 14 -27.627 -64.748 6.693 1.00 2.46 H new ATOM 0 HG21 ILE A 14 -25.601 -61.706 7.515 1.00 2.46 H new ATOM 0 HG22 ILE A 14 -26.550 -60.601 6.492 1.00 2.46 H new ATOM 0 HG23 ILE A 14 -27.273 -61.295 7.963 1.00 2.46 H new ATOM 0 HD11 ILE A 14 -25.533 -65.444 7.796 1.00 2.44 H new ATOM 0 HD12 ILE A 14 -25.187 -64.743 6.198 1.00 2.44 H new ATOM 0 HD13 ILE A 14 -24.901 -63.786 7.670 1.00 2.44 H new ATOM 246 N SER A 15 -30.266 -64.058 5.455 1.00 2.23 N ATOM 247 CA SER A 15 -31.213 -64.830 4.709 1.00 2.86 C ATOM 248 C SER A 15 -32.074 -63.993 3.790 1.00 2.04 C ATOM 249 O SER A 15 -32.175 -64.221 2.632 1.00 1.52 O ATOM 250 CB SER A 15 -32.239 -65.628 5.610 1.00 2.67 C ATOM 251 OG SER A 15 -31.732 -66.472 6.658 1.00 1.64 O ATOM 0 H SER A 15 -30.466 -64.076 6.455 1.00 2.23 H new ATOM 0 HA SER A 15 -30.570 -65.510 4.151 1.00 2.86 H new ATOM 0 HB2 SER A 15 -32.911 -64.902 6.068 1.00 2.67 H new ATOM 0 HB3 SER A 15 -32.844 -66.249 4.950 1.00 2.67 H new ATOM 0 HG SER A 15 -31.325 -65.918 7.356 1.00 1.64 H new ATOM 257 N PHE A 16 -32.772 -62.958 4.312 1.00 2.23 N ATOM 258 CA PHE A 16 -33.513 -61.873 3.557 1.00 2.86 C ATOM 259 C PHE A 16 -32.739 -61.162 2.447 1.00 2.04 C ATOM 260 O PHE A 16 -33.127 -60.945 1.328 1.00 1.52 O ATOM 261 CB PHE A 16 -34.073 -60.802 4.434 1.00 2.67 C ATOM 262 CG PHE A 16 -34.945 -59.778 3.654 1.00 2.46 C ATOM 263 CD1 PHE A 16 -34.455 -58.533 3.340 1.00 2.00 C ATOM 264 CD2 PHE A 16 -36.264 -60.022 3.330 1.00 2.00 C ATOM 265 CE1 PHE A 16 -35.098 -57.598 2.594 1.00 2.00 C ATOM 266 CE2 PHE A 16 -36.959 -59.174 2.495 1.00 2.00 C ATOM 267 CZ PHE A 16 -36.379 -57.900 2.156 1.00 2.00 C ATOM 0 H PHE A 16 -32.849 -62.834 5.321 1.00 2.23 H new ATOM 0 HA PHE A 16 -34.304 -62.467 3.099 1.00 2.86 H new ATOM 0 HB2 PHE A 16 -34.674 -61.260 5.220 1.00 2.67 H new ATOM 0 HB3 PHE A 16 -33.254 -60.276 4.925 1.00 2.67 H new ATOM 0 HD1 PHE A 16 -33.476 -58.277 3.718 1.00 2.00 H new ATOM 0 HD2 PHE A 16 -36.759 -60.891 3.737 1.00 2.00 H new ATOM 0 HE1 PHE A 16 -34.630 -56.655 2.351 1.00 2.00 H new ATOM 0 HE2 PHE A 16 -37.923 -59.460 2.101 1.00 2.00 H new ATOM 0 HZ PHE A 16 -36.936 -57.187 1.567 1.00 2.00 H new ATOM 277 N LEU A 17 -31.469 -60.926 2.736 1.00 2.23 N ATOM 278 CA LEU A 17 -30.527 -60.336 1.832 1.00 2.86 C ATOM 279 C LEU A 17 -30.282 -61.221 0.595 1.00 2.04 C ATOM 280 O LEU A 17 -30.149 -60.809 -0.556 1.00 1.52 O ATOM 281 CB LEU A 17 -29.173 -60.032 2.503 1.00 2.67 C ATOM 282 CG LEU A 17 -28.350 -58.997 1.706 1.00 2.46 C ATOM 283 CD1 LEU A 17 -28.916 -57.520 1.922 1.00 2.44 C ATOM 284 CD2 LEU A 17 -26.973 -58.859 2.348 1.00 2.44 C ATOM 0 H LEU A 17 -31.063 -61.153 3.644 1.00 2.23 H new ATOM 0 HA LEU A 17 -30.980 -59.396 1.518 1.00 2.86 H new ATOM 0 HB2 LEU A 17 -29.345 -59.658 3.512 1.00 2.67 H new ATOM 0 HB3 LEU A 17 -28.600 -60.955 2.598 1.00 2.67 H new ATOM 0 HG LEU A 17 -28.365 -59.331 0.669 1.00 2.46 H new ATOM 0 HD11 LEU A 17 -28.316 -56.813 1.349 1.00 2.44 H new ATOM 0 HD12 LEU A 17 -29.952 -57.474 1.585 1.00 2.44 H new ATOM 0 HD13 LEU A 17 -28.867 -57.263 2.980 1.00 2.44 H new ATOM 0 HD21 LEU A 17 -26.384 -58.130 1.792 1.00 2.44 H new ATOM 0 HD22 LEU A 17 -27.084 -58.525 3.380 1.00 2.44 H new ATOM 0 HD23 LEU A 17 -26.466 -59.824 2.332 1.00 2.44 H new ATOM 296 N ILE A 18 -30.128 -62.527 0.823 1.00 2.23 N ATOM 297 CA ILE A 18 -30.105 -63.440 -0.316 1.00 2.86 C ATOM 298 C ILE A 18 -31.401 -63.450 -1.106 1.00 2.04 C ATOM 299 O ILE A 18 -31.291 -63.581 -2.323 1.00 1.52 O ATOM 300 CB ILE A 18 -29.771 -64.815 0.293 1.00 2.67 C ATOM 301 CG1 ILE A 18 -28.285 -64.726 0.824 1.00 2.46 C ATOM 302 CG2 ILE A 18 -30.108 -66.044 -0.604 1.00 2.46 C ATOM 303 CD1 ILE A 18 -27.340 -64.454 -0.406 1.00 2.44 C ATOM 0 H ILE A 18 -30.022 -62.959 1.741 1.00 2.23 H new ATOM 0 HA ILE A 18 -29.367 -63.131 -1.056 1.00 2.86 H new ATOM 0 HB ILE A 18 -30.438 -65.026 1.129 1.00 2.67 H new ATOM 0 HG12 ILE A 18 -28.191 -63.927 1.560 1.00 2.46 H new ATOM 0 HG13 ILE A 18 -28.003 -65.653 1.323 1.00 2.46 H new ATOM 0 HG21 ILE A 18 -29.834 -66.961 -0.082 1.00 2.46 H new ATOM 0 HG22 ILE A 18 -31.176 -66.055 -0.820 1.00 2.46 H new ATOM 0 HG23 ILE A 18 -29.549 -65.977 -1.538 1.00 2.46 H new ATOM 0 HD11 ILE A 18 -26.307 -64.388 -0.064 1.00 2.44 H new ATOM 0 HD12 ILE A 18 -27.433 -65.269 -1.124 1.00 2.44 H new ATOM 0 HD13 ILE A 18 -27.624 -63.516 -0.883 1.00 2.44 H new ATOM 315 N VAL A 19 -32.617 -63.321 -0.494 1.00 2.23 N ATOM 316 CA VAL A 19 -33.890 -63.284 -1.193 1.00 2.86 C ATOM 317 C VAL A 19 -33.955 -62.081 -2.159 1.00 2.04 C ATOM 318 O VAL A 19 -34.403 -62.139 -3.319 1.00 1.52 O ATOM 319 CB VAL A 19 -35.028 -63.191 -0.163 1.00 2.67 C ATOM 320 CG1 VAL A 19 -36.403 -63.107 -0.833 1.00 2.46 C ATOM 321 CG2 VAL A 19 -34.998 -64.515 0.626 1.00 2.46 C ATOM 0 H VAL A 19 -32.715 -63.240 0.518 1.00 2.23 H new ATOM 0 HA VAL A 19 -33.995 -64.196 -1.781 1.00 2.86 H new ATOM 0 HB VAL A 19 -34.886 -62.301 0.450 1.00 2.67 H new ATOM 0 HG11 VAL A 19 -37.177 -63.043 -0.068 1.00 2.46 H new ATOM 0 HG12 VAL A 19 -36.445 -62.222 -1.467 1.00 2.46 H new ATOM 0 HG13 VAL A 19 -36.566 -63.997 -1.441 1.00 2.46 H new ATOM 0 HG21 VAL A 19 -35.788 -64.509 1.377 1.00 2.46 H new ATOM 0 HG22 VAL A 19 -35.154 -65.350 -0.058 1.00 2.46 H new ATOM 0 HG23 VAL A 19 -34.031 -64.624 1.117 1.00 2.46 H new ATOM 331 N VAL A 20 -33.449 -60.941 -1.675 1.00 2.23 N ATOM 332 CA VAL A 20 -33.363 -59.715 -2.513 1.00 2.86 C ATOM 333 C VAL A 20 -32.291 -59.861 -3.670 1.00 2.04 C ATOM 334 O VAL A 20 -32.676 -59.779 -4.861 1.00 1.52 O ATOM 335 CB VAL A 20 -32.911 -58.547 -1.605 1.00 2.67 C ATOM 336 CG1 VAL A 20 -32.514 -57.324 -2.356 1.00 2.46 C ATOM 337 CG2 VAL A 20 -33.991 -58.097 -0.610 1.00 2.46 C ATOM 0 H VAL A 20 -33.095 -60.830 -0.725 1.00 2.23 H new ATOM 0 HA VAL A 20 -34.340 -59.542 -2.963 1.00 2.86 H new ATOM 0 HB VAL A 20 -32.053 -58.970 -1.083 1.00 2.67 H new ATOM 0 HG11 VAL A 20 -32.209 -56.548 -1.653 1.00 2.46 H new ATOM 0 HG12 VAL A 20 -31.682 -57.559 -3.020 1.00 2.46 H new ATOM 0 HG13 VAL A 20 -33.359 -56.968 -2.945 1.00 2.46 H new ATOM 0 HG21 VAL A 20 -33.608 -57.275 -0.005 1.00 2.46 H new ATOM 0 HG22 VAL A 20 -34.873 -57.765 -1.157 1.00 2.46 H new ATOM 0 HG23 VAL A 20 -34.259 -58.931 0.038 1.00 2.46 H new ATOM 347 N ASN A 21 -31.099 -60.243 -3.345 1.00 2.23 N ATOM 348 CA ASN A 21 -30.046 -60.297 -4.334 1.00 2.86 C ATOM 349 C ASN A 21 -30.301 -61.220 -5.487 1.00 2.04 C ATOM 350 O ASN A 21 -29.949 -60.897 -6.605 1.00 1.52 O ATOM 351 CB ASN A 21 -28.670 -60.628 -3.703 1.00 2.67 C ATOM 352 CG ASN A 21 -27.953 -59.373 -3.144 1.00 1.98 C ATOM 353 OD1 ASN A 21 -27.373 -58.515 -3.787 1.00 1.42 O ATOM 354 ND2 ASN A 21 -28.043 -59.202 -1.809 1.00 2.15 N ATOM 0 H ASN A 21 -30.820 -60.524 -2.405 1.00 2.23 H new ATOM 0 HA ASN A 21 -30.033 -59.287 -4.745 1.00 2.86 H new ATOM 0 HB2 ASN A 21 -28.808 -61.351 -2.899 1.00 2.67 H new ATOM 0 HB3 ASN A 21 -28.035 -61.101 -4.452 1.00 2.67 H new ATOM 0 HD21 ASN A 21 -27.633 -58.376 -1.372 1.00 2.15 H new ATOM 0 HD22 ASN A 21 -28.521 -59.898 -1.237 1.00 2.15 H new ATOM 361 N MET A 22 -30.871 -62.437 -5.246 1.00 2.23 N ATOM 362 CA MET A 22 -31.403 -63.231 -6.367 1.00 2.86 C ATOM 363 C MET A 22 -32.504 -62.508 -7.128 1.00 2.04 C ATOM 364 O MET A 22 -32.456 -62.497 -8.367 1.00 1.52 O ATOM 365 CB MET A 22 -31.748 -64.630 -5.892 1.00 2.67 C ATOM 366 CG MET A 22 -30.600 -65.684 -5.826 1.00 2.46 C ATOM 367 SD MET A 22 -30.789 -67.026 -4.677 1.00 2.00 S ATOM 368 CE MET A 22 -29.104 -67.469 -4.860 1.00 2.10 C ATOM 0 H MET A 22 -30.967 -62.865 -4.325 1.00 2.23 H new ATOM 0 HA MET A 22 -30.626 -63.352 -7.122 1.00 2.86 H new ATOM 0 HB2 MET A 22 -32.183 -64.547 -4.896 1.00 2.67 H new ATOM 0 HB3 MET A 22 -32.525 -65.023 -6.547 1.00 2.67 H new ATOM 0 HG2 MET A 22 -30.474 -66.108 -6.822 1.00 2.46 H new ATOM 0 HG3 MET A 22 -29.675 -65.160 -5.584 1.00 2.46 H new ATOM 0 HE1 MET A 22 -28.910 -68.393 -4.316 1.00 2.10 H new ATOM 0 HE2 MET A 22 -28.879 -67.616 -5.916 1.00 2.10 H new ATOM 0 HE3 MET A 22 -28.473 -66.674 -4.462 1.00 2.10 H new ATOM 378 N TYR A 23 -33.510 -61.929 -6.454 1.00 2.23 N ATOM 379 CA TYR A 23 -34.613 -61.368 -7.289 1.00 2.86 C ATOM 380 C TYR A 23 -34.369 -60.118 -8.224 1.00 2.04 C ATOM 381 O TYR A 23 -34.984 -59.992 -9.274 1.00 1.52 O ATOM 382 CB TYR A 23 -35.781 -60.973 -6.275 1.00 2.67 C ATOM 383 CG TYR A 23 -37.099 -60.653 -6.867 1.00 2.46 C ATOM 384 CD1 TYR A 23 -37.807 -59.667 -6.198 1.00 2.00 C ATOM 385 CD2 TYR A 23 -37.609 -61.396 -7.977 1.00 2.00 C ATOM 386 CE1 TYR A 23 -39.116 -59.386 -6.653 1.00 2.00 C ATOM 387 CE2 TYR A 23 -38.919 -61.054 -8.380 1.00 2.00 C ATOM 388 CZ TYR A 23 -39.665 -60.117 -7.721 1.00 2.00 C ATOM 389 OH TYR A 23 -40.976 -59.816 -8.123 1.00 1.85 O ATOM 0 H TYR A 23 -33.597 -61.834 -5.442 1.00 2.23 H new ATOM 0 HA TYR A 23 -34.807 -62.162 -8.011 1.00 2.86 H new ATOM 0 HB2 TYR A 23 -35.915 -61.796 -5.573 1.00 2.67 H new ATOM 0 HB3 TYR A 23 -35.451 -60.111 -5.695 1.00 2.67 H new ATOM 0 HD1 TYR A 23 -37.376 -59.135 -5.363 1.00 2.00 H new ATOM 0 HD2 TYR A 23 -37.034 -62.164 -8.472 1.00 2.00 H new ATOM 0 HE1 TYR A 23 -39.696 -58.608 -6.179 1.00 2.00 H new ATOM 0 HE2 TYR A 23 -39.346 -61.550 -9.239 1.00 2.00 H new ATOM 0 HH TYR A 23 -41.230 -60.395 -8.872 1.00 1.85 H new ATOM 399 N ILE A 24 -33.395 -59.258 -7.916 1.00 2.23 N ATOM 400 CA ILE A 24 -32.938 -58.153 -8.803 1.00 2.86 C ATOM 401 C ILE A 24 -32.145 -58.623 -9.981 1.00 2.04 C ATOM 402 O ILE A 24 -32.208 -57.909 -11.017 1.00 1.52 O ATOM 403 CB ILE A 24 -32.240 -57.110 -7.874 1.00 2.67 C ATOM 404 CG1 ILE A 24 -30.884 -57.475 -7.272 1.00 2.46 C ATOM 405 CG2 ILE A 24 -33.226 -56.711 -6.773 1.00 2.46 C ATOM 406 CD1 ILE A 24 -29.699 -57.143 -8.158 1.00 2.44 C ATOM 0 H ILE A 24 -32.886 -59.299 -7.033 1.00 2.23 H new ATOM 0 HA ILE A 24 -33.775 -57.668 -9.306 1.00 2.86 H new ATOM 0 HB ILE A 24 -31.980 -56.284 -8.536 1.00 2.67 H new ATOM 0 HG12 ILE A 24 -30.769 -56.954 -6.321 1.00 2.46 H new ATOM 0 HG13 ILE A 24 -30.872 -58.543 -7.054 1.00 2.46 H new ATOM 0 HG21 ILE A 24 -32.758 -55.982 -6.112 1.00 2.46 H new ATOM 0 HG22 ILE A 24 -34.117 -56.273 -7.223 1.00 2.46 H new ATOM 0 HG23 ILE A 24 -33.507 -57.594 -6.199 1.00 2.46 H new ATOM 0 HD11 ILE A 24 -28.776 -57.434 -7.656 1.00 2.44 H new ATOM 0 HD12 ILE A 24 -29.786 -57.685 -9.100 1.00 2.44 H new ATOM 0 HD13 ILE A 24 -29.682 -56.071 -8.356 1.00 2.44 H new ATOM 418 N ALA A 25 -31.459 -59.843 -9.939 1.00 2.23 N ATOM 419 CA ALA A 25 -30.896 -60.514 -11.142 1.00 2.86 C ATOM 420 C ALA A 25 -32.046 -61.037 -12.031 1.00 2.04 C ATOM 421 O ALA A 25 -31.968 -60.955 -13.279 1.00 1.52 O ATOM 422 CB ALA A 25 -30.077 -61.725 -10.716 1.00 2.67 C ATOM 0 H ALA A 25 -31.298 -60.358 -9.074 1.00 2.23 H new ATOM 0 HA ALA A 25 -30.280 -59.795 -11.682 1.00 2.86 H new ATOM 0 HB1 ALA A 25 -29.666 -62.215 -11.599 1.00 2.67 H new ATOM 0 HB2 ALA A 25 -29.263 -61.403 -10.067 1.00 2.67 H new ATOM 0 HB3 ALA A 25 -30.716 -62.425 -10.177 1.00 2.67 H new ATOM 428 N ILE A 26 -33.111 -61.599 -11.476 1.00 2.23 N ATOM 429 CA ILE A 26 -34.142 -62.202 -12.337 1.00 2.86 C ATOM 430 C ILE A 26 -34.829 -61.078 -13.155 1.00 2.04 C ATOM 431 O ILE A 26 -34.857 -61.035 -14.384 1.00 1.52 O ATOM 432 CB ILE A 26 -35.205 -63.036 -11.500 1.00 2.67 C ATOM 433 CG1 ILE A 26 -34.495 -64.190 -10.824 1.00 2.46 C ATOM 434 CG2 ILE A 26 -36.343 -63.588 -12.442 1.00 2.46 C ATOM 435 CD1 ILE A 26 -35.360 -64.819 -9.656 1.00 2.44 C ATOM 0 H ILE A 26 -33.289 -61.655 -10.473 1.00 2.23 H new ATOM 0 HA ILE A 26 -33.664 -62.910 -13.015 1.00 2.86 H new ATOM 0 HB ILE A 26 -35.664 -62.388 -10.753 1.00 2.67 H new ATOM 0 HG12 ILE A 26 -34.270 -64.959 -11.563 1.00 2.46 H new ATOM 0 HG13 ILE A 26 -33.542 -63.844 -10.423 1.00 2.46 H new ATOM 0 HG21 ILE A 26 -37.061 -64.156 -11.851 1.00 2.46 H new ATOM 0 HG22 ILE A 26 -36.851 -62.754 -12.926 1.00 2.46 H new ATOM 0 HG23 ILE A 26 -35.905 -64.236 -13.201 1.00 2.46 H new ATOM 0 HD11 ILE A 26 -34.811 -65.643 -9.200 1.00 2.44 H new ATOM 0 HD12 ILE A 26 -35.563 -64.058 -8.903 1.00 2.44 H new ATOM 0 HD13 ILE A 26 -36.302 -65.190 -10.060 1.00 2.44 H new ATOM 447 N ILE A 27 -35.220 -60.022 -12.456 1.00 2.23 N ATOM 448 CA ILE A 27 -35.851 -58.912 -13.153 1.00 2.86 C ATOM 449 C ILE A 27 -34.944 -58.022 -13.979 1.00 2.04 C ATOM 450 O ILE A 27 -35.521 -57.380 -14.859 1.00 1.52 O ATOM 451 CB ILE A 27 -36.673 -58.037 -12.160 1.00 2.67 C ATOM 452 CG1 ILE A 27 -35.725 -57.184 -11.181 1.00 2.46 C ATOM 453 CG2 ILE A 27 -37.700 -58.950 -11.507 1.00 2.46 C ATOM 454 CD1 ILE A 27 -36.426 -56.421 -10.025 1.00 2.44 C ATOM 0 H ILE A 27 -35.118 -59.911 -11.447 1.00 2.23 H new ATOM 0 HA ILE A 27 -36.495 -59.404 -13.882 1.00 2.86 H new ATOM 0 HB ILE A 27 -37.228 -57.245 -12.663 1.00 2.67 H new ATOM 0 HG12 ILE A 27 -34.989 -57.860 -10.746 1.00 2.46 H new ATOM 0 HG13 ILE A 27 -35.176 -56.460 -11.784 1.00 2.46 H new ATOM 0 HG21 ILE A 27 -38.300 -58.376 -10.801 1.00 2.46 H new ATOM 0 HG22 ILE A 27 -38.348 -59.375 -12.273 1.00 2.46 H new ATOM 0 HG23 ILE A 27 -37.188 -59.754 -10.978 1.00 2.46 H new ATOM 0 HD11 ILE A 27 -35.680 -55.885 -9.438 1.00 2.44 H new ATOM 0 HD12 ILE A 27 -37.141 -55.710 -10.439 1.00 2.44 H new ATOM 0 HD13 ILE A 27 -36.950 -57.131 -9.385 1.00 2.44 H new ATOM 466 N LEU A 28 -33.591 -57.982 -13.758 1.00 2.23 N ATOM 467 CA LEU A 28 -32.670 -57.222 -14.587 1.00 2.86 C ATOM 468 C LEU A 28 -32.621 -57.744 -15.940 1.00 2.04 C ATOM 469 O LEU A 28 -32.603 -57.033 -16.935 1.00 1.52 O ATOM 470 CB LEU A 28 -31.315 -57.107 -13.815 1.00 2.67 C ATOM 471 CG LEU A 28 -30.129 -56.558 -14.595 1.00 2.46 C ATOM 472 CD1 LEU A 28 -29.482 -55.353 -13.795 1.00 2.44 C ATOM 473 CD2 LEU A 28 -29.087 -57.647 -14.972 1.00 2.44 C ATOM 0 H LEU A 28 -33.136 -58.484 -12.995 1.00 2.23 H new ATOM 0 HA LEU A 28 -33.007 -56.199 -14.753 1.00 2.86 H new ATOM 0 HB2 LEU A 28 -31.473 -56.472 -12.943 1.00 2.67 H new ATOM 0 HB3 LEU A 28 -31.050 -58.097 -13.444 1.00 2.67 H new ATOM 0 HG LEU A 28 -30.499 -56.186 -15.551 1.00 2.46 H new ATOM 0 HD11 LEU A 28 -28.633 -54.960 -14.354 1.00 2.44 H new ATOM 0 HD12 LEU A 28 -30.224 -54.566 -13.660 1.00 2.44 H new ATOM 0 HD13 LEU A 28 -29.144 -55.703 -12.820 1.00 2.44 H new ATOM 0 HD21 LEU A 28 -28.267 -57.190 -15.526 1.00 2.44 H new ATOM 0 HD22 LEU A 28 -28.698 -58.108 -14.064 1.00 2.44 H new ATOM 0 HD23 LEU A 28 -29.563 -58.408 -15.590 1.00 2.44 H new ATOM 485 N GLU A 29 -32.708 -59.060 -16.105 1.00 2.23 N ATOM 486 CA GLU A 29 -32.892 -59.756 -17.331 1.00 2.86 C ATOM 487 C GLU A 29 -34.192 -59.375 -18.059 1.00 2.04 C ATOM 488 O GLU A 29 -34.175 -58.973 -19.210 1.00 1.52 O ATOM 489 CB GLU A 29 -32.842 -61.312 -17.160 1.00 2.67 C ATOM 490 CG GLU A 29 -31.452 -61.930 -16.736 1.00 2.77 C ATOM 491 CD GLU A 29 -30.323 -61.734 -17.662 1.00 1.98 C ATOM 492 OE1 GLU A 29 -29.800 -60.618 -17.783 1.00 1.40 O ATOM 493 OE2 GLU A 29 -29.882 -62.764 -18.196 1.00 1.40 O1- ATOM 0 H GLU A 29 -32.644 -59.698 -15.311 1.00 2.23 H new ATOM 0 HA GLU A 29 -32.049 -59.440 -17.945 1.00 2.86 H new ATOM 0 HB2 GLU A 29 -33.584 -61.597 -16.414 1.00 2.67 H new ATOM 0 HB3 GLU A 29 -33.145 -61.769 -18.102 1.00 2.67 H new ATOM 0 HG2 GLU A 29 -31.175 -61.509 -15.770 1.00 2.77 H new ATOM 0 HG3 GLU A 29 -31.588 -63.002 -16.590 1.00 2.77 H new ATOM 500 N ASN A 30 -35.369 -59.344 -17.355 1.00 2.23 N ATOM 501 CA ASN A 30 -36.710 -58.924 -17.833 1.00 2.86 C ATOM 502 C ASN A 30 -36.618 -57.489 -18.406 1.00 2.04 C ATOM 503 O ASN A 30 -37.085 -57.141 -19.484 1.00 1.52 O ATOM 504 CB ASN A 30 -37.822 -59.076 -16.817 1.00 2.67 C ATOM 505 CG ASN A 30 -37.907 -60.529 -16.259 1.00 1.98 C ATOM 506 OD1 ASN A 30 -37.275 -61.457 -16.757 1.00 1.42 O ATOM 507 ND2 ASN A 30 -38.739 -60.695 -15.170 1.00 2.15 N ATOM 0 H ASN A 30 -35.397 -59.632 -16.377 1.00 2.23 H new ATOM 0 HA ASN A 30 -37.000 -59.615 -18.625 1.00 2.86 H new ATOM 0 HB2 ASN A 30 -37.659 -58.380 -15.994 1.00 2.67 H new ATOM 0 HB3 ASN A 30 -38.773 -58.808 -17.277 1.00 2.67 H new ATOM 0 HD21 ASN A 30 -38.847 -61.617 -14.747 1.00 2.15 H new ATOM 0 HD22 ASN A 30 -39.245 -59.896 -14.788 1.00 2.15 H new ATOM 514 N PHE A 31 -36.085 -56.607 -17.527 1.00 2.23 N ATOM 515 CA PHE A 31 -36.079 -55.144 -17.777 1.00 2.86 C ATOM 516 C PHE A 31 -35.154 -54.769 -18.977 1.00 2.04 C ATOM 517 O PHE A 31 -35.378 -53.806 -19.718 1.00 1.52 O ATOM 518 CB PHE A 31 -35.706 -54.344 -16.447 1.00 2.67 C ATOM 519 CG PHE A 31 -36.644 -54.443 -15.227 1.00 2.46 C ATOM 520 CD1 PHE A 31 -36.150 -54.022 -14.012 1.00 2.00 C ATOM 521 CD2 PHE A 31 -37.995 -54.738 -15.364 1.00 2.00 C ATOM 522 CE1 PHE A 31 -36.900 -54.052 -12.864 1.00 2.00 C ATOM 523 CE2 PHE A 31 -38.779 -54.809 -14.175 1.00 2.00 C ATOM 524 CZ PHE A 31 -38.246 -54.402 -12.986 1.00 2.00 C ATOM 0 H PHE A 31 -35.656 -56.880 -16.643 1.00 2.23 H new ATOM 0 HA PHE A 31 -37.087 -54.844 -18.063 1.00 2.86 H new ATOM 0 HB2 PHE A 31 -34.717 -54.676 -16.130 1.00 2.67 H new ATOM 0 HB3 PHE A 31 -35.619 -53.290 -16.711 1.00 2.67 H new ATOM 0 HD1 PHE A 31 -35.136 -53.655 -13.962 1.00 2.00 H new ATOM 0 HD2 PHE A 31 -38.435 -54.907 -16.336 1.00 2.00 H new ATOM 0 HE1 PHE A 31 -36.467 -53.814 -11.904 1.00 2.00 H new ATOM 0 HE2 PHE A 31 -39.791 -55.184 -14.215 1.00 2.00 H new ATOM 0 HZ PHE A 31 -38.883 -54.349 -12.116 1.00 2.00 H new ATOM 534 N LYS A 32 -34.109 -55.578 -19.161 1.00 2.23 N ATOM 535 CA LYS A 32 -33.289 -55.397 -20.365 1.00 2.86 C ATOM 536 C LYS A 32 -33.935 -55.966 -21.643 1.00 2.04 C ATOM 537 O LYS A 32 -33.928 -55.398 -22.726 1.00 1.52 O ATOM 538 CB LYS A 32 -31.921 -56.179 -20.186 1.00 2.67 C ATOM 539 CG LYS A 32 -30.959 -55.406 -19.282 1.00 2.46 C ATOM 540 CD LYS A 32 -29.565 -55.926 -19.029 1.00 2.44 C ATOM 541 CE LYS A 32 -28.517 -55.330 -19.979 1.00 2.80 C ATOM 542 NZ LYS A 32 -27.223 -56.035 -19.856 1.00 2.13 N1+ ATOM 0 H LYS A 32 -33.819 -56.326 -18.532 1.00 2.23 H new ATOM 0 HA LYS A 32 -33.163 -54.320 -20.478 1.00 2.86 H new ATOM 0 HB2 LYS A 32 -32.114 -57.163 -19.759 1.00 2.67 H new ATOM 0 HB3 LYS A 32 -31.460 -56.339 -21.161 1.00 2.67 H new ATOM 0 HG2 LYS A 32 -30.858 -54.404 -19.700 1.00 2.46 H new ATOM 0 HG3 LYS A 32 -31.444 -55.299 -18.312 1.00 2.46 H new ATOM 0 HD2 LYS A 32 -29.282 -55.703 -18.000 1.00 2.44 H new ATOM 0 HD3 LYS A 32 -29.564 -57.011 -19.132 1.00 2.44 H new ATOM 0 HE2 LYS A 32 -28.874 -55.396 -21.007 1.00 2.80 H new ATOM 0 HE3 LYS A 32 -28.380 -54.272 -19.757 1.00 2.80 H new ATOM 0 HZ1 LYS A 32 -26.533 -55.611 -20.509 1.00 2.13 H new ATOM 0 HZ2 LYS A 32 -26.873 -55.950 -18.880 1.00 2.13 H new ATOM 0 HZ3 LYS A 32 -27.351 -57.040 -20.092 1.00 2.13 H new ATOM 556 N LYS A 33 -34.441 -57.204 -21.533 1.00 2.23 N ATOM 557 CA LYS A 33 -34.847 -57.991 -22.715 1.00 2.86 C ATOM 558 C LYS A 33 -36.320 -58.056 -22.644 1.00 2.04 C ATOM 559 O LYS A 33 -37.006 -58.850 -21.972 1.00 1.52 O ATOM 560 CB LYS A 33 -34.166 -59.330 -22.761 1.00 2.67 C ATOM 561 CG LYS A 33 -32.652 -59.290 -22.496 1.00 2.46 C ATOM 562 CD LYS A 33 -31.819 -60.685 -22.437 1.00 2.44 C ATOM 563 CE LYS A 33 -32.318 -61.787 -21.513 1.00 2.80 C ATOM 564 NZ LYS A 33 -31.385 -62.939 -21.626 1.00 2.13 N1+ ATOM 0 H LYS A 33 -34.580 -57.683 -20.643 1.00 2.23 H new ATOM 0 HA LYS A 33 -34.538 -57.530 -23.653 1.00 2.86 H new ATOM 0 HB2 LYS A 33 -34.633 -59.985 -22.025 1.00 2.67 H new ATOM 0 HB3 LYS A 33 -34.338 -59.777 -23.740 1.00 2.67 H new ATOM 0 HG2 LYS A 33 -32.200 -58.671 -23.271 1.00 2.46 H new ATOM 0 HG3 LYS A 33 -32.499 -58.776 -21.547 1.00 2.46 H new ATOM 0 HD2 LYS A 33 -31.780 -61.091 -23.448 1.00 2.44 H new ATOM 0 HD3 LYS A 33 -30.795 -60.448 -22.149 1.00 2.44 H new ATOM 0 HE2 LYS A 33 -32.361 -61.431 -20.484 1.00 2.80 H new ATOM 0 HE3 LYS A 33 -33.329 -62.087 -21.789 1.00 2.80 H new ATOM 0 HZ1 LYS A 33 -31.705 -63.707 -21.002 1.00 2.13 H new ATOM 0 HZ2 LYS A 33 -31.367 -63.276 -22.610 1.00 2.13 H new ATOM 0 HZ3 LYS A 33 -30.429 -62.640 -21.345 1.00 2.13 H new ATOM 578 N LYS A 34 -36.973 -57.090 -23.366 1.00 2.23 N ATOM 579 CA LYS A 34 -38.388 -56.914 -23.610 1.00 2.86 C ATOM 580 C LYS A 34 -39.072 -58.182 -24.268 1.00 2.04 C ATOM 581 O LYS A 34 -38.515 -58.895 -25.098 1.00 1.52 O ATOM 582 CB LYS A 34 -38.529 -55.608 -24.468 1.00 2.67 C ATOM 583 CG LYS A 34 -38.129 -54.327 -23.620 1.00 2.46 C ATOM 584 CD LYS A 34 -39.252 -53.938 -22.656 1.00 2.44 C ATOM 585 CE LYS A 34 -39.033 -52.908 -21.609 1.00 2.80 C ATOM 586 NZ LYS A 34 -38.691 -51.617 -22.159 1.00 2.13 N1+ ATOM 0 H LYS A 34 -36.437 -56.354 -23.826 1.00 2.23 H new ATOM 0 HA LYS A 34 -38.929 -56.808 -22.670 1.00 2.86 H new ATOM 0 HB2 LYS A 34 -37.893 -55.678 -25.351 1.00 2.67 H new ATOM 0 HB3 LYS A 34 -39.555 -55.509 -24.821 1.00 2.67 H new ATOM 0 HG2 LYS A 34 -37.216 -54.528 -23.059 1.00 2.46 H new ATOM 0 HG3 LYS A 34 -37.915 -53.494 -24.290 1.00 2.46 H new ATOM 0 HD2 LYS A 34 -40.093 -53.604 -23.263 1.00 2.44 H new ATOM 0 HD3 LYS A 34 -39.568 -54.849 -22.148 1.00 2.44 H new ATOM 0 HE2 LYS A 34 -39.935 -52.813 -21.004 1.00 2.80 H new ATOM 0 HE3 LYS A 34 -38.236 -53.237 -20.943 1.00 2.80 H new ATOM 0 HZ1 LYS A 34 -38.549 -50.937 -21.385 1.00 2.13 H new ATOM 0 HZ2 LYS A 34 -37.815 -51.697 -22.714 1.00 2.13 H new ATOM 0 HZ3 LYS A 34 -39.462 -51.286 -22.774 1.00 2.13 H new HETATM 600 N NH2 A 35 -40.313 -58.560 -23.743 1.00 2.23 N TER 603 NH2 A 35