USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 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 Set 1.1: A 55 GLN : amide:sc= 0.156 K(o=0.89,f=-6.1!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 148:sc= 0.733 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -131:sc= 0.2 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -63:sc= 1.21 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot -124:sc= 0.373 USER MOD Single : A 24 ASN : amide:sc= -1.48 K(o=-1.5,f=-3.4!) USER MOD Single : A 26 ASN : amide:sc= 0.057 K(o=0.057,f=-3.3!) USER MOD Single : A 28 GLN : amide:sc= 0.426 K(o=0.43,f=-0.25) USER MOD Single : A 38 MET CE :methyl -159:sc= -1.19 (180deg=-1.5) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.39) USER MOD Single : A 47 ASN : amide:sc= 0.367 X(o=0.37,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 1.1 (180deg=1.1) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 -6.012 11.542 1.006 1.00 3.23 N ATOM 33 CA VAL A 3 -5.286 10.873 -0.083 1.00 4.32 C ATOM 34 C VAL A 3 -6.083 10.872 -1.401 1.00 55.32 C ATOM 35 O VAL A 3 -7.235 10.428 -1.451 1.00 4.02 O ATOM 36 CB VAL A 3 -4.922 9.413 0.301 1.00 70.22 C ATOM 37 CG1 VAL A 3 -4.203 8.703 -0.849 1.00 4.35 C ATOM 38 CG2 VAL A 3 -4.075 9.390 1.574 1.00 64.51 C ATOM 0 HA VAL A 3 -4.371 11.445 -0.239 1.00 4.32 H new ATOM 0 HB VAL A 3 -5.848 8.872 0.496 1.00 70.22 H new ATOM 0 HG11 VAL A 3 -3.960 7.683 -0.552 1.00 4.35 H new ATOM 0 HG12 VAL A 3 -4.851 8.681 -1.725 1.00 4.35 H new ATOM 0 HG13 VAL A 3 -3.285 9.239 -1.090 1.00 4.35 H new ATOM 0 HG21 VAL A 3 -3.829 8.359 1.829 1.00 64.51 H new ATOM 0 HG22 VAL A 3 -3.156 9.953 1.410 1.00 64.51 H new ATOM 0 HG23 VAL A 3 -4.636 9.842 2.392 1.00 64.51 H new ATOM 48 N GLU A 4 -5.461 11.388 -2.457 1.00 13.01 N ATOM 49 CA GLU A 4 -6.030 11.347 -3.809 1.00 31.22 C ATOM 50 C GLU A 4 -5.256 10.358 -4.700 1.00 62.02 C ATOM 51 O GLU A 4 -4.127 9.981 -4.386 1.00 40.15 O ATOM 52 CB GLU A 4 -5.990 12.747 -4.446 1.00 74.43 C ATOM 53 CG GLU A 4 -6.876 13.779 -3.757 1.00 64.13 C ATOM 54 CD GLU A 4 -6.921 15.099 -4.510 1.00 1.32 C ATOM 55 OE1 GLU A 4 -7.559 15.153 -5.583 1.00 64.52 O ATOM 56 OE2 GLU A 4 -6.312 16.086 -4.043 1.00 54.31 O ATOM 0 H GLU A 4 -4.551 11.846 -2.405 1.00 13.01 H new ATOM 0 HA GLU A 4 -7.065 11.013 -3.729 1.00 31.22 H new ATOM 0 HB2 GLU A 4 -4.961 13.107 -4.439 1.00 74.43 H new ATOM 0 HB3 GLU A 4 -6.292 12.666 -5.490 1.00 74.43 H new ATOM 0 HG2 GLU A 4 -7.887 13.382 -3.664 1.00 64.13 H new ATOM 0 HG3 GLU A 4 -6.508 13.953 -2.746 1.00 64.13 H new ATOM 63 N PRO A 5 -5.852 9.916 -5.824 1.00 40.24 N ATOM 64 CA PRO A 5 -5.153 9.064 -6.803 1.00 5.34 C ATOM 65 C PRO A 5 -3.986 9.795 -7.502 1.00 42.31 C ATOM 66 O PRO A 5 -4.059 10.995 -7.769 1.00 31.31 O ATOM 67 CB PRO A 5 -6.255 8.705 -7.813 1.00 11.31 C ATOM 68 CG PRO A 5 -7.270 9.790 -7.671 1.00 43.21 C ATOM 69 CD PRO A 5 -7.246 10.193 -6.226 1.00 72.30 C ATOM 0 HA PRO A 5 -4.691 8.197 -6.331 1.00 5.34 H new ATOM 0 HB2 PRO A 5 -5.862 8.662 -8.829 1.00 11.31 H new ATOM 0 HB3 PRO A 5 -6.687 7.728 -7.596 1.00 11.31 H new ATOM 0 HG2 PRO A 5 -7.030 10.635 -8.316 1.00 43.21 H new ATOM 0 HG3 PRO A 5 -8.260 9.438 -7.962 1.00 43.21 H new ATOM 0 HD2 PRO A 5 -7.501 11.245 -6.097 1.00 72.30 H new ATOM 0 HD3 PRO A 5 -7.958 9.617 -5.635 1.00 72.30 H new ATOM 77 N GLY A 6 -2.916 9.059 -7.796 1.00 52.22 N ATOM 78 CA GLY A 6 -1.738 9.645 -8.436 1.00 63.24 C ATOM 79 C GLY A 6 -0.850 10.446 -7.480 1.00 51.14 C ATOM 80 O GLY A 6 0.024 11.197 -7.921 1.00 44.04 O ATOM 0 H GLY A 6 -2.839 8.060 -7.603 1.00 52.22 H new ATOM 0 HA2 GLY A 6 -1.146 8.848 -8.885 1.00 63.24 H new ATOM 0 HA3 GLY A 6 -2.063 10.297 -9.247 1.00 63.24 H new ATOM 84 N LYS A 7 -1.063 10.289 -6.173 1.00 4.03 N ATOM 85 CA LYS A 7 -0.286 11.021 -5.160 1.00 30.30 C ATOM 86 C LYS A 7 0.826 10.151 -4.541 1.00 72.54 C ATOM 87 O LYS A 7 0.732 8.921 -4.508 1.00 40.12 O ATOM 88 CB LYS A 7 -1.214 11.530 -4.051 1.00 52.32 C ATOM 89 CG LYS A 7 -2.283 12.513 -4.525 1.00 52.15 C ATOM 90 CD LYS A 7 -1.686 13.839 -4.999 1.00 54.02 C ATOM 91 CE LYS A 7 -2.775 14.840 -5.388 1.00 40.30 C ATOM 92 NZ LYS A 7 -2.214 16.170 -5.738 1.00 10.40 N ATOM 0 H LYS A 7 -1.768 9.661 -5.786 1.00 4.03 H new ATOM 0 HA LYS A 7 0.189 11.863 -5.664 1.00 30.30 H new ATOM 0 HB2 LYS A 7 -1.704 10.676 -3.584 1.00 52.32 H new ATOM 0 HB3 LYS A 7 -0.611 12.011 -3.281 1.00 52.32 H new ATOM 0 HG2 LYS A 7 -2.852 12.063 -5.338 1.00 52.15 H new ATOM 0 HG3 LYS A 7 -2.984 12.703 -3.712 1.00 52.15 H new ATOM 0 HD2 LYS A 7 -1.067 14.263 -4.208 1.00 54.02 H new ATOM 0 HD3 LYS A 7 -1.033 13.660 -5.854 1.00 54.02 H new ATOM 0 HE2 LYS A 7 -3.338 14.450 -6.236 1.00 40.30 H new ATOM 0 HE3 LYS A 7 -3.478 14.950 -4.562 1.00 40.30 H new ATOM 0 HZ1 LYS A 7 -2.987 16.816 -5.995 1.00 10.40 H new ATOM 0 HZ2 LYS A 7 -1.698 16.555 -4.921 1.00 10.40 H new ATOM 0 HZ3 LYS A 7 -1.563 16.071 -6.543 1.00 10.40 H new ATOM 106 N PHE A 8 1.873 10.807 -4.034 1.00 63.53 N ATOM 107 CA PHE A 8 3.011 10.119 -3.399 1.00 61.45 C ATOM 108 C PHE A 8 2.906 10.178 -1.867 1.00 4.31 C ATOM 109 O PHE A 8 2.961 11.260 -1.280 1.00 4.25 O ATOM 110 CB PHE A 8 4.340 10.761 -3.843 1.00 14.21 C ATOM 111 CG PHE A 8 4.728 10.503 -5.284 1.00 20.34 C ATOM 112 CD1 PHE A 8 3.784 10.519 -6.302 1.00 15.12 C ATOM 113 CD2 PHE A 8 6.051 10.240 -5.614 1.00 4.43 C ATOM 114 CE1 PHE A 8 4.151 10.275 -7.612 1.00 74.11 C ATOM 115 CE2 PHE A 8 6.421 9.998 -6.921 1.00 43.34 C ATOM 116 CZ PHE A 8 5.472 10.014 -7.921 1.00 71.41 C ATOM 0 H PHE A 8 1.960 11.823 -4.049 1.00 63.53 H new ATOM 0 HA PHE A 8 2.986 9.076 -3.714 1.00 61.45 H new ATOM 0 HB2 PHE A 8 4.275 11.838 -3.688 1.00 14.21 H new ATOM 0 HB3 PHE A 8 5.137 10.393 -3.197 1.00 14.21 H new ATOM 0 HD1 PHE A 8 2.750 10.725 -6.067 1.00 15.12 H new ATOM 0 HD2 PHE A 8 6.801 10.225 -4.837 1.00 4.43 H new ATOM 0 HE1 PHE A 8 3.406 10.288 -8.393 1.00 74.11 H new ATOM 0 HE2 PHE A 8 7.454 9.796 -7.161 1.00 43.34 H new ATOM 0 HZ PHE A 8 5.761 9.823 -8.944 1.00 71.41 H new ATOM 126 N TYR A 9 2.774 9.022 -1.213 1.00 63.33 N ATOM 127 CA TYR A 9 2.648 8.976 0.253 1.00 4.45 C ATOM 128 C TYR A 9 3.370 7.770 0.873 1.00 31.45 C ATOM 129 O TYR A 9 3.371 6.670 0.325 1.00 73.45 O ATOM 130 CB TYR A 9 1.171 8.964 0.680 1.00 4.25 C ATOM 131 CG TYR A 9 0.451 10.278 0.445 1.00 21.25 C ATOM 132 CD1 TYR A 9 0.821 11.421 1.145 1.00 61.21 C ATOM 133 CD2 TYR A 9 -0.586 10.381 -0.475 1.00 71.42 C ATOM 134 CE1 TYR A 9 0.176 12.622 0.939 1.00 15.55 C ATOM 135 CE2 TYR A 9 -1.233 11.580 -0.686 1.00 41.14 C ATOM 136 CZ TYR A 9 -0.847 12.698 0.022 1.00 71.42 C ATOM 137 OH TYR A 9 -1.492 13.895 -0.183 1.00 3.51 O ATOM 0 H TYR A 9 2.751 8.109 -1.667 1.00 63.33 H new ATOM 0 HA TYR A 9 3.129 9.880 0.626 1.00 4.45 H new ATOM 0 HB2 TYR A 9 0.652 8.175 0.136 1.00 4.25 H new ATOM 0 HB3 TYR A 9 1.111 8.713 1.739 1.00 4.25 H new ATOM 0 HD1 TYR A 9 1.627 11.367 1.862 1.00 61.21 H new ATOM 0 HD2 TYR A 9 -0.890 9.508 -1.033 1.00 71.42 H new ATOM 0 HE1 TYR A 9 0.472 13.499 1.495 1.00 15.55 H new ATOM 0 HE2 TYR A 9 -2.039 11.643 -1.403 1.00 41.14 H new ATOM 0 HH TYR A 9 -2.188 13.779 -0.863 1.00 3.51 H new ATOM 147 N LYS A 10 3.977 7.997 2.032 1.00 21.11 N ATOM 148 CA LYS A 10 4.642 6.937 2.791 1.00 63.33 C ATOM 149 C LYS A 10 3.647 6.226 3.728 1.00 32.12 C ATOM 150 O LYS A 10 2.822 6.873 4.375 1.00 14.24 O ATOM 151 CB LYS A 10 5.785 7.545 3.611 1.00 73.04 C ATOM 152 CG LYS A 10 6.628 6.527 4.371 1.00 10.54 C ATOM 153 CD LYS A 10 7.589 7.216 5.335 1.00 60.30 C ATOM 154 CE LYS A 10 8.444 6.220 6.101 1.00 4.41 C ATOM 155 NZ LYS A 10 9.212 6.873 7.191 1.00 71.53 N ATOM 0 H LYS A 10 4.024 8.916 2.473 1.00 21.11 H new ATOM 0 HA LYS A 10 5.038 6.200 2.093 1.00 63.33 H new ATOM 0 HB2 LYS A 10 6.435 8.109 2.942 1.00 73.04 H new ATOM 0 HB3 LYS A 10 5.366 8.256 4.324 1.00 73.04 H new ATOM 0 HG2 LYS A 10 5.976 5.851 4.924 1.00 10.54 H new ATOM 0 HG3 LYS A 10 7.192 5.918 3.664 1.00 10.54 H new ATOM 0 HD2 LYS A 10 8.235 7.895 4.778 1.00 60.30 H new ATOM 0 HD3 LYS A 10 7.021 7.823 6.040 1.00 60.30 H new ATOM 0 HE2 LYS A 10 7.807 5.442 6.522 1.00 4.41 H new ATOM 0 HE3 LYS A 10 9.134 5.730 5.414 1.00 4.41 H new ATOM 0 HZ1 LYS A 10 10.208 6.579 7.138 1.00 71.53 H new ATOM 0 HZ2 LYS A 10 9.150 7.906 7.089 1.00 71.53 H new ATOM 0 HZ3 LYS A 10 8.817 6.592 8.111 1.00 71.53 H new ATOM 169 N GLY A 11 3.729 4.901 3.797 1.00 3.52 N ATOM 170 CA GLY A 11 2.839 4.136 4.665 1.00 70.52 C ATOM 171 C GLY A 11 3.559 3.046 5.454 1.00 22.34 C ATOM 172 O GLY A 11 4.778 2.902 5.354 1.00 11.54 O ATOM 0 H GLY A 11 4.396 4.339 3.268 1.00 3.52 H new ATOM 0 HA2 GLY A 11 2.349 4.816 5.362 1.00 70.52 H new ATOM 0 HA3 GLY A 11 2.055 3.680 4.060 1.00 70.52 H new ATOM 176 N VAL A 12 2.806 2.279 6.242 1.00 65.31 N ATOM 177 CA VAL A 12 3.379 1.190 7.050 1.00 23.20 C ATOM 178 C VAL A 12 2.639 -0.144 6.817 1.00 41.25 C ATOM 179 O VAL A 12 1.408 -0.177 6.718 1.00 70.23 O ATOM 180 CB VAL A 12 3.354 1.543 8.563 1.00 43.14 C ATOM 181 CG1 VAL A 12 1.921 1.722 9.066 1.00 44.01 C ATOM 182 CG2 VAL A 12 4.096 0.484 9.383 1.00 14.41 C ATOM 0 H VAL A 12 1.797 2.388 6.342 1.00 65.31 H new ATOM 0 HA VAL A 12 4.414 1.070 6.730 1.00 23.20 H new ATOM 0 HB VAL A 12 3.871 2.494 8.693 1.00 43.14 H new ATOM 0 HG11 VAL A 12 1.936 1.968 10.128 1.00 44.01 H new ATOM 0 HG12 VAL A 12 1.439 2.529 8.513 1.00 44.01 H new ATOM 0 HG13 VAL A 12 1.365 0.797 8.916 1.00 44.01 H new ATOM 0 HG21 VAL A 12 4.065 0.753 10.439 1.00 14.41 H new ATOM 0 HG22 VAL A 12 3.619 -0.486 9.242 1.00 14.41 H new ATOM 0 HG23 VAL A 12 5.133 0.429 9.053 1.00 14.41 H new ATOM 192 N VAL A 13 3.397 -1.237 6.716 1.00 21.13 N ATOM 193 CA VAL A 13 2.824 -2.577 6.515 1.00 4.13 C ATOM 194 C VAL A 13 2.164 -3.109 7.798 1.00 60.32 C ATOM 195 O VAL A 13 2.796 -3.159 8.858 1.00 10.30 O ATOM 196 CB VAL A 13 3.908 -3.581 6.048 1.00 23.44 C ATOM 197 CG1 VAL A 13 3.315 -4.976 5.841 1.00 24.04 C ATOM 198 CG2 VAL A 13 4.592 -3.085 4.773 1.00 24.35 C ATOM 0 H VAL A 13 4.415 -1.224 6.770 1.00 21.13 H new ATOM 0 HA VAL A 13 2.062 -2.481 5.742 1.00 4.13 H new ATOM 0 HB VAL A 13 4.661 -3.652 6.833 1.00 23.44 H new ATOM 0 HG11 VAL A 13 4.098 -5.659 5.513 1.00 24.04 H new ATOM 0 HG12 VAL A 13 2.890 -5.334 6.779 1.00 24.04 H new ATOM 0 HG13 VAL A 13 2.533 -4.930 5.083 1.00 24.04 H new ATOM 0 HG21 VAL A 13 5.349 -3.805 4.463 1.00 24.35 H new ATOM 0 HG22 VAL A 13 3.851 -2.975 3.982 1.00 24.35 H new ATOM 0 HG23 VAL A 13 5.064 -2.121 4.965 1.00 24.35 H new ATOM 208 N THR A 14 0.895 -3.509 7.695 1.00 51.22 N ATOM 209 CA THR A 14 0.139 -4.033 8.848 1.00 53.14 C ATOM 210 C THR A 14 0.037 -5.565 8.826 1.00 3.11 C ATOM 211 O THR A 14 0.181 -6.220 9.859 1.00 32.25 O ATOM 212 CB THR A 14 -1.291 -3.444 8.905 1.00 30.53 C ATOM 213 OG1 THR A 14 -2.031 -3.819 7.732 1.00 31.32 O ATOM 214 CG2 THR A 14 -1.251 -1.923 9.022 1.00 41.31 C ATOM 0 H THR A 14 0.363 -3.482 6.825 1.00 51.22 H new ATOM 0 HA THR A 14 0.696 -3.728 9.734 1.00 53.14 H new ATOM 0 HB THR A 14 -1.786 -3.848 9.788 1.00 30.53 H new ATOM 0 HG1 THR A 14 -1.599 -3.441 6.938 1.00 31.32 H new ATOM 0 HG21 THR A 14 -2.269 -1.534 9.060 1.00 41.31 H new ATOM 0 HG22 THR A 14 -0.721 -1.642 9.932 1.00 41.31 H new ATOM 0 HG23 THR A 14 -0.735 -1.505 8.158 1.00 41.31 H new ATOM 222 N ARG A 15 -0.225 -6.136 7.649 1.00 14.41 N ATOM 223 CA ARG A 15 -0.363 -7.595 7.509 1.00 41.12 C ATOM 224 C ARG A 15 -0.050 -8.072 6.078 1.00 24.41 C ATOM 225 O ARG A 15 -0.318 -7.370 5.099 1.00 14.42 O ATOM 226 CB ARG A 15 -1.781 -8.036 7.910 1.00 3.01 C ATOM 227 CG ARG A 15 -2.891 -7.319 7.147 1.00 31.35 C ATOM 228 CD ARG A 15 -4.277 -7.771 7.604 1.00 61.13 C ATOM 229 NE ARG A 15 -4.549 -9.166 7.261 1.00 55.44 N ATOM 230 CZ ARG A 15 -5.556 -9.855 7.728 1.00 43.41 C ATOM 231 NH1 ARG A 15 -6.386 -9.328 8.576 1.00 75.13 N ATOM 232 NH2 ARG A 15 -5.735 -11.071 7.331 1.00 31.31 N ATOM 0 H ARG A 15 -0.346 -5.617 6.779 1.00 14.41 H new ATOM 0 HA ARG A 15 0.365 -8.055 8.177 1.00 41.12 H new ATOM 0 HB2 ARG A 15 -1.877 -9.110 7.747 1.00 3.01 H new ATOM 0 HB3 ARG A 15 -1.917 -7.862 8.977 1.00 3.01 H new ATOM 0 HG2 ARG A 15 -2.794 -6.243 7.290 1.00 31.35 H new ATOM 0 HG3 ARG A 15 -2.780 -7.510 6.080 1.00 31.35 H new ATOM 0 HD2 ARG A 15 -4.361 -7.642 8.683 1.00 61.13 H new ATOM 0 HD3 ARG A 15 -5.033 -7.133 7.147 1.00 61.13 H new ATOM 0 HE ARG A 15 -3.911 -9.631 6.615 1.00 55.44 H new ATOM 0 HH11 ARG A 15 -6.256 -8.365 8.885 1.00 75.13 H new ATOM 0 HH12 ARG A 15 -7.168 -9.877 8.933 1.00 75.13 H new ATOM 0 HH21 ARG A 15 -5.092 -11.487 6.657 1.00 31.31 H new ATOM 0 HH22 ARG A 15 -6.519 -11.615 7.691 1.00 31.31 H new ATOM 246 N ILE A 16 0.516 -9.278 5.973 1.00 13.24 N ATOM 247 CA ILE A 16 0.864 -9.881 4.675 1.00 5.51 C ATOM 248 C ILE A 16 -0.207 -10.894 4.229 1.00 33.14 C ATOM 249 O ILE A 16 -0.416 -11.920 4.881 1.00 21.10 O ATOM 250 CB ILE A 16 2.237 -10.605 4.740 1.00 53.30 C ATOM 251 CG1 ILE A 16 3.330 -9.660 5.277 1.00 12.12 C ATOM 252 CG2 ILE A 16 2.626 -11.152 3.361 1.00 2.21 C ATOM 253 CD1 ILE A 16 3.549 -8.425 4.429 1.00 35.52 C ATOM 0 H ILE A 16 0.746 -9.863 6.776 1.00 13.24 H new ATOM 0 HA ILE A 16 0.919 -9.067 3.953 1.00 5.51 H new ATOM 0 HB ILE A 16 2.145 -11.445 5.429 1.00 53.30 H new ATOM 0 HG12 ILE A 16 3.064 -9.351 6.288 1.00 12.12 H new ATOM 0 HG13 ILE A 16 4.268 -10.210 5.348 1.00 12.12 H new ATOM 0 HG21 ILE A 16 3.591 -11.655 3.428 1.00 2.21 H new ATOM 0 HG22 ILE A 16 1.869 -11.861 3.024 1.00 2.21 H new ATOM 0 HG23 ILE A 16 2.695 -10.329 2.649 1.00 2.21 H new ATOM 0 HD11 ILE A 16 4.333 -7.812 4.874 1.00 35.52 H new ATOM 0 HD12 ILE A 16 3.847 -8.722 3.424 1.00 35.52 H new ATOM 0 HD13 ILE A 16 2.624 -7.850 4.378 1.00 35.52 H new ATOM 265 N GLU A 17 -0.870 -10.610 3.109 1.00 12.51 N ATOM 266 CA GLU A 17 -1.961 -11.458 2.605 1.00 1.33 C ATOM 267 C GLU A 17 -1.539 -12.282 1.378 1.00 25.24 C ATOM 268 O GLU A 17 -0.415 -12.167 0.884 1.00 42.42 O ATOM 269 CB GLU A 17 -3.170 -10.584 2.244 1.00 52.21 C ATOM 270 CG GLU A 17 -3.806 -9.884 3.435 1.00 24.03 C ATOM 271 CD GLU A 17 -4.522 -10.849 4.362 1.00 40.35 C ATOM 272 OE1 GLU A 17 -5.713 -11.131 4.118 1.00 41.51 O ATOM 273 OE2 GLU A 17 -3.901 -11.329 5.335 1.00 4.52 O ATOM 0 H GLU A 17 -0.673 -9.796 2.527 1.00 12.51 H new ATOM 0 HA GLU A 17 -2.223 -12.158 3.398 1.00 1.33 H new ATOM 0 HB2 GLU A 17 -2.858 -9.833 1.518 1.00 52.21 H new ATOM 0 HB3 GLU A 17 -3.922 -11.205 1.757 1.00 52.21 H new ATOM 0 HG2 GLU A 17 -3.036 -9.352 3.994 1.00 24.03 H new ATOM 0 HG3 GLU A 17 -4.514 -9.136 3.077 1.00 24.03 H new ATOM 280 N LYS A 18 -2.464 -13.104 0.882 1.00 74.50 N ATOM 281 CA LYS A 18 -2.224 -13.951 -0.298 1.00 43.02 C ATOM 282 C LYS A 18 -2.462 -13.182 -1.613 1.00 20.34 C ATOM 283 O LYS A 18 -2.459 -13.766 -2.698 1.00 55.42 O ATOM 284 CB LYS A 18 -3.141 -15.181 -0.240 1.00 60.41 C ATOM 285 CG LYS A 18 -2.956 -16.025 1.016 1.00 54.03 C ATOM 286 CD LYS A 18 -3.948 -17.184 1.078 1.00 11.02 C ATOM 287 CE LYS A 18 -3.734 -18.038 2.323 1.00 40.44 C ATOM 288 NZ LYS A 18 -4.721 -19.145 2.428 1.00 43.22 N ATOM 0 H LYS A 18 -3.397 -13.205 1.281 1.00 74.50 H new ATOM 0 HA LYS A 18 -1.180 -14.263 -0.282 1.00 43.02 H new ATOM 0 HB2 LYS A 18 -4.179 -14.852 -0.297 1.00 60.41 H new ATOM 0 HB3 LYS A 18 -2.955 -15.803 -1.116 1.00 60.41 H new ATOM 0 HG2 LYS A 18 -1.939 -16.416 1.043 1.00 54.03 H new ATOM 0 HG3 LYS A 18 -3.079 -15.395 1.897 1.00 54.03 H new ATOM 0 HD2 LYS A 18 -4.966 -16.794 1.074 1.00 11.02 H new ATOM 0 HD3 LYS A 18 -3.841 -17.804 0.188 1.00 11.02 H new ATOM 0 HE2 LYS A 18 -2.726 -18.454 2.306 1.00 40.44 H new ATOM 0 HE3 LYS A 18 -3.804 -17.407 3.209 1.00 40.44 H new ATOM 0 HZ1 LYS A 18 -4.534 -19.696 3.290 1.00 43.22 H new ATOM 0 HZ2 LYS A 18 -5.682 -18.750 2.471 1.00 43.22 H new ATOM 0 HZ3 LYS A 18 -4.638 -19.764 1.596 1.00 43.22 H new ATOM 302 N TYR A 19 -2.671 -11.872 -1.501 1.00 50.55 N ATOM 303 CA TYR A 19 -2.947 -11.014 -2.664 1.00 35.23 C ATOM 304 C TYR A 19 -2.278 -9.637 -2.520 1.00 0.33 C ATOM 305 O TYR A 19 -2.588 -8.702 -3.260 1.00 50.33 O ATOM 306 CB TYR A 19 -4.467 -10.857 -2.844 1.00 12.35 C ATOM 307 CG TYR A 19 -5.209 -10.518 -1.556 1.00 71.52 C ATOM 308 CD1 TYR A 19 -5.393 -9.198 -1.152 1.00 72.33 C ATOM 309 CD2 TYR A 19 -5.725 -11.526 -0.746 1.00 21.04 C ATOM 310 CE1 TYR A 19 -6.065 -8.896 0.020 1.00 53.42 C ATOM 311 CE2 TYR A 19 -6.397 -11.230 0.426 1.00 41.12 C ATOM 312 CZ TYR A 19 -6.565 -9.915 0.804 1.00 4.21 C ATOM 313 OH TYR A 19 -7.236 -9.617 1.970 1.00 15.14 O ATOM 0 H TYR A 19 -2.655 -11.373 -0.611 1.00 50.55 H new ATOM 0 HA TYR A 19 -2.526 -11.492 -3.549 1.00 35.23 H new ATOM 0 HB2 TYR A 19 -4.657 -10.074 -3.578 1.00 12.35 H new ATOM 0 HB3 TYR A 19 -4.872 -11.783 -3.253 1.00 12.35 H new ATOM 0 HD1 TYR A 19 -5.005 -8.397 -1.763 1.00 72.33 H new ATOM 0 HD2 TYR A 19 -5.598 -12.558 -1.038 1.00 21.04 H new ATOM 0 HE1 TYR A 19 -6.197 -7.867 0.319 1.00 53.42 H new ATOM 0 HE2 TYR A 19 -6.788 -12.026 1.042 1.00 41.12 H new ATOM 0 HH TYR A 19 -6.803 -10.073 2.722 1.00 15.14 H new ATOM 323 N GLY A 20 -1.346 -9.528 -1.574 1.00 32.32 N ATOM 324 CA GLY A 20 -0.676 -8.258 -1.308 1.00 41.53 C ATOM 325 C GLY A 20 -0.572 -7.952 0.181 1.00 73.41 C ATOM 326 O GLY A 20 -0.958 -8.769 1.016 1.00 54.12 O ATOM 0 H GLY A 20 -1.040 -10.300 -0.982 1.00 32.32 H new ATOM 0 HA2 GLY A 20 0.324 -8.281 -1.741 1.00 41.53 H new ATOM 0 HA3 GLY A 20 -1.220 -7.454 -1.804 1.00 41.53 H new ATOM 330 N ALA A 21 -0.048 -6.780 0.517 1.00 71.31 N ATOM 331 CA ALA A 21 0.070 -6.361 1.919 1.00 73.43 C ATOM 332 C ALA A 21 -0.755 -5.096 2.194 1.00 1.41 C ATOM 333 O ALA A 21 -0.696 -4.130 1.434 1.00 54.13 O ATOM 334 CB ALA A 21 1.535 -6.130 2.276 1.00 25.44 C ATOM 0 H ALA A 21 0.303 -6.100 -0.157 1.00 71.31 H new ATOM 0 HA ALA A 21 -0.326 -7.160 2.546 1.00 73.43 H new ATOM 0 HB1 ALA A 21 1.611 -5.820 3.318 1.00 25.44 H new ATOM 0 HB2 ALA A 21 2.095 -7.054 2.131 1.00 25.44 H new ATOM 0 HB3 ALA A 21 1.947 -5.351 1.634 1.00 25.44 H new ATOM 340 N PHE A 22 -1.526 -5.108 3.277 1.00 62.01 N ATOM 341 CA PHE A 22 -2.321 -3.938 3.662 1.00 51.03 C ATOM 342 C PHE A 22 -1.445 -2.869 4.325 1.00 34.21 C ATOM 343 O PHE A 22 -0.908 -3.070 5.417 1.00 74.31 O ATOM 344 CB PHE A 22 -3.474 -4.337 4.594 1.00 42.41 C ATOM 345 CG PHE A 22 -4.617 -5.011 3.878 1.00 63.32 C ATOM 346 CD1 PHE A 22 -5.591 -4.254 3.242 1.00 10.50 C ATOM 347 CD2 PHE A 22 -4.715 -6.393 3.833 1.00 52.44 C ATOM 348 CE1 PHE A 22 -6.640 -4.861 2.580 1.00 53.00 C ATOM 349 CE2 PHE A 22 -5.763 -7.003 3.171 1.00 33.34 C ATOM 350 CZ PHE A 22 -6.725 -6.238 2.545 1.00 32.35 C ATOM 0 H PHE A 22 -1.620 -5.908 3.903 1.00 62.01 H new ATOM 0 HA PHE A 22 -2.746 -3.515 2.752 1.00 51.03 H new ATOM 0 HB2 PHE A 22 -3.093 -5.006 5.365 1.00 42.41 H new ATOM 0 HB3 PHE A 22 -3.847 -3.447 5.100 1.00 42.41 H new ATOM 0 HD1 PHE A 22 -5.528 -3.176 3.265 1.00 10.50 H new ATOM 0 HD2 PHE A 22 -3.965 -6.999 4.320 1.00 52.44 H new ATOM 0 HE1 PHE A 22 -7.392 -4.260 2.091 1.00 53.00 H new ATOM 0 HE2 PHE A 22 -5.829 -8.081 3.144 1.00 33.34 H new ATOM 0 HZ PHE A 22 -7.544 -6.716 2.028 1.00 32.35 H new ATOM 360 N ILE A 23 -1.307 -1.736 3.650 1.00 21.15 N ATOM 361 CA ILE A 23 -0.493 -0.625 4.140 1.00 23.23 C ATOM 362 C ILE A 23 -1.364 0.593 4.473 1.00 11.11 C ATOM 363 O ILE A 23 -2.188 1.022 3.665 1.00 55.43 O ATOM 364 CB ILE A 23 0.584 -0.224 3.095 1.00 54.21 C ATOM 365 CG1 ILE A 23 1.600 -1.364 2.906 1.00 23.13 C ATOM 366 CG2 ILE A 23 1.290 1.071 3.499 1.00 2.04 C ATOM 367 CD1 ILE A 23 2.694 -1.050 1.906 1.00 72.42 C ATOM 0 H ILE A 23 -1.753 -1.558 2.750 1.00 21.15 H new ATOM 0 HA ILE A 23 0.003 -0.961 5.050 1.00 23.23 H new ATOM 0 HB ILE A 23 0.083 -0.046 2.143 1.00 54.21 H new ATOM 0 HG12 ILE A 23 2.056 -1.595 3.869 1.00 23.13 H new ATOM 0 HG13 ILE A 23 1.070 -2.260 2.581 1.00 23.13 H new ATOM 0 HG21 ILE A 23 2.038 1.327 2.749 1.00 2.04 H new ATOM 0 HG22 ILE A 23 0.559 1.876 3.572 1.00 2.04 H new ATOM 0 HG23 ILE A 23 1.776 0.934 4.465 1.00 2.04 H new ATOM 0 HD11 ILE A 23 3.371 -1.901 1.828 1.00 72.42 H new ATOM 0 HD12 ILE A 23 2.249 -0.849 0.931 1.00 72.42 H new ATOM 0 HD13 ILE A 23 3.250 -0.174 2.239 1.00 72.42 H new ATOM 379 N ASN A 24 -1.185 1.144 5.668 1.00 21.42 N ATOM 380 CA ASN A 24 -1.926 2.340 6.076 1.00 1.34 C ATOM 381 C ASN A 24 -1.080 3.606 5.885 1.00 74.13 C ATOM 382 O ASN A 24 0.027 3.715 6.421 1.00 44.34 O ATOM 383 CB ASN A 24 -2.374 2.231 7.539 1.00 23.01 C ATOM 384 CG ASN A 24 -3.270 1.030 7.791 1.00 65.02 C ATOM 385 OD1 ASN A 24 -3.956 0.546 6.898 1.00 64.54 O ATOM 386 ND2 ASN A 24 -3.280 0.547 9.016 1.00 52.01 N ATOM 0 H ASN A 24 -0.538 0.787 6.371 1.00 21.42 H new ATOM 0 HA ASN A 24 -2.809 2.412 5.441 1.00 1.34 H new ATOM 0 HB2 ASN A 24 -1.495 2.164 8.180 1.00 23.01 H new ATOM 0 HB3 ASN A 24 -2.905 3.140 7.821 1.00 23.01 H new ATOM 0 HD21 ASN A 24 -3.870 -0.253 9.244 1.00 52.01 H new ATOM 0 HD22 ASN A 24 -2.697 0.973 9.737 1.00 52.01 H new ATOM 393 N LEU A 25 -1.595 4.556 5.107 1.00 15.51 N ATOM 394 CA LEU A 25 -0.929 5.853 4.927 1.00 21.24 C ATOM 395 C LEU A 25 -1.230 6.780 6.109 1.00 43.44 C ATOM 396 O LEU A 25 -0.469 7.700 6.407 1.00 11.51 O ATOM 397 CB LEU A 25 -1.389 6.524 3.624 1.00 53.03 C ATOM 398 CG LEU A 25 -1.128 5.734 2.333 1.00 33.00 C ATOM 399 CD1 LEU A 25 -1.633 6.510 1.119 1.00 72.35 C ATOM 400 CD2 LEU A 25 0.355 5.403 2.186 1.00 4.10 C ATOM 0 H LEU A 25 -2.469 4.457 4.591 1.00 15.51 H new ATOM 0 HA LEU A 25 0.145 5.673 4.875 1.00 21.24 H new ATOM 0 HB2 LEU A 25 -2.459 6.720 3.697 1.00 53.03 H new ATOM 0 HB3 LEU A 25 -0.893 7.491 3.542 1.00 53.03 H new ATOM 0 HG LEU A 25 -1.677 4.794 2.392 1.00 33.00 H new ATOM 0 HD11 LEU A 25 -1.440 5.935 0.213 1.00 72.35 H new ATOM 0 HD12 LEU A 25 -2.705 6.682 1.217 1.00 72.35 H new ATOM 0 HD13 LEU A 25 -1.116 7.467 1.058 1.00 72.35 H new ATOM 0 HD21 LEU A 25 0.513 4.843 1.264 1.00 4.10 H new ATOM 0 HD22 LEU A 25 0.933 6.327 2.153 1.00 4.10 H new ATOM 0 HD23 LEU A 25 0.680 4.802 3.035 1.00 4.10 H new ATOM 412 N ASN A 26 -2.352 6.522 6.773 1.00 32.32 N ATOM 413 CA ASN A 26 -2.806 7.341 7.898 1.00 54.40 C ATOM 414 C ASN A 26 -3.819 6.554 8.747 1.00 74.53 C ATOM 415 O ASN A 26 -4.321 5.519 8.311 1.00 12.22 O ATOM 416 CB ASN A 26 -3.432 8.644 7.373 1.00 5.33 C ATOM 417 CG ASN A 26 -3.808 9.615 8.478 1.00 62.42 C ATOM 418 OD1 ASN A 26 -3.182 9.654 9.529 1.00 30.43 O ATOM 419 ND2 ASN A 26 -4.829 10.415 8.248 1.00 23.43 N ATOM 0 H ASN A 26 -2.972 5.743 6.550 1.00 32.32 H new ATOM 0 HA ASN A 26 -1.953 7.594 8.528 1.00 54.40 H new ATOM 0 HB2 ASN A 26 -2.730 9.129 6.695 1.00 5.33 H new ATOM 0 HB3 ASN A 26 -4.322 8.403 6.791 1.00 5.33 H new ATOM 0 HD21 ASN A 26 -5.117 11.090 8.956 1.00 23.43 H new ATOM 0 HD22 ASN A 26 -5.331 10.359 7.362 1.00 23.43 H new ATOM 426 N GLU A 27 -4.120 7.056 9.943 1.00 13.10 N ATOM 427 CA GLU A 27 -5.047 6.399 10.877 1.00 24.20 C ATOM 428 C GLU A 27 -6.334 5.890 10.184 1.00 44.41 C ATOM 429 O GLU A 27 -6.730 4.737 10.358 1.00 31.51 O ATOM 430 CB GLU A 27 -5.411 7.381 12.002 1.00 40.41 C ATOM 431 CG GLU A 27 -6.195 6.758 13.151 1.00 61.21 C ATOM 432 CD GLU A 27 -6.661 7.790 14.167 1.00 73.41 C ATOM 433 OE1 GLU A 27 -5.814 8.350 14.893 1.00 1.13 O ATOM 434 OE2 GLU A 27 -7.877 8.060 14.232 1.00 45.24 O ATOM 0 H GLU A 27 -3.731 7.930 10.297 1.00 13.10 H new ATOM 0 HA GLU A 27 -4.540 5.523 11.283 1.00 24.20 H new ATOM 0 HB2 GLU A 27 -4.494 7.817 12.398 1.00 40.41 H new ATOM 0 HB3 GLU A 27 -5.996 8.198 11.580 1.00 40.41 H new ATOM 0 HG2 GLU A 27 -7.061 6.230 12.751 1.00 61.21 H new ATOM 0 HG3 GLU A 27 -5.572 6.016 13.651 1.00 61.21 H new ATOM 441 N GLN A 28 -6.972 6.750 9.389 1.00 62.34 N ATOM 442 CA GLN A 28 -8.239 6.402 8.711 1.00 12.44 C ATOM 443 C GLN A 28 -8.025 5.954 7.261 1.00 11.01 C ATOM 444 O GLN A 28 -8.980 5.637 6.547 1.00 61.31 O ATOM 445 CB GLN A 28 -9.177 7.615 8.744 1.00 34.34 C ATOM 446 CG GLN A 28 -9.416 8.113 10.156 1.00 23.13 C ATOM 447 CD GLN A 28 -10.078 7.065 11.030 1.00 11.31 C ATOM 448 OE1 GLN A 28 -10.975 6.351 10.596 1.00 23.45 O ATOM 449 NE2 GLN A 28 -9.578 6.906 12.230 1.00 53.54 N ATOM 0 H GLN A 28 -6.639 7.694 9.194 1.00 62.34 H new ATOM 0 HA GLN A 28 -8.680 5.561 9.245 1.00 12.44 H new ATOM 0 HB2 GLN A 28 -8.751 8.419 8.144 1.00 34.34 H new ATOM 0 HB3 GLN A 28 -10.130 7.348 8.288 1.00 34.34 H new ATOM 0 HG2 GLN A 28 -8.466 8.407 10.601 1.00 23.13 H new ATOM 0 HG3 GLN A 28 -10.042 9.005 10.124 1.00 23.13 H new ATOM 0 HE21 GLN A 28 -8.832 7.520 12.557 1.00 53.54 H new ATOM 0 HE22 GLN A 28 -9.935 6.168 12.838 1.00 53.54 H new ATOM 458 N VAL A 29 -6.772 5.912 6.840 1.00 54.01 N ATOM 459 CA VAL A 29 -6.433 5.603 5.439 1.00 60.54 C ATOM 460 C VAL A 29 -5.768 4.221 5.286 1.00 72.10 C ATOM 461 O VAL A 29 -4.591 4.045 5.607 1.00 63.24 O ATOM 462 CB VAL A 29 -5.506 6.686 4.828 1.00 10.02 C ATOM 463 CG1 VAL A 29 -5.169 6.354 3.375 1.00 65.11 C ATOM 464 CG2 VAL A 29 -6.145 8.070 4.935 1.00 75.22 C ATOM 0 H VAL A 29 -5.965 6.086 7.439 1.00 54.01 H new ATOM 0 HA VAL A 29 -7.379 5.590 4.898 1.00 60.54 H new ATOM 0 HB VAL A 29 -4.576 6.698 5.397 1.00 10.02 H new ATOM 0 HG11 VAL A 29 -4.518 7.127 2.967 1.00 65.11 H new ATOM 0 HG12 VAL A 29 -4.661 5.391 3.330 1.00 65.11 H new ATOM 0 HG13 VAL A 29 -6.088 6.307 2.790 1.00 65.11 H new ATOM 0 HG21 VAL A 29 -5.477 8.814 4.500 1.00 75.22 H new ATOM 0 HG22 VAL A 29 -7.093 8.075 4.398 1.00 75.22 H new ATOM 0 HG23 VAL A 29 -6.321 8.309 5.984 1.00 75.22 H new ATOM 474 N ARG A 30 -6.533 3.256 4.776 1.00 3.04 N ATOM 475 CA ARG A 30 -6.038 1.893 4.535 1.00 23.21 C ATOM 476 C ARG A 30 -5.893 1.619 3.026 1.00 64.54 C ATOM 477 O ARG A 30 -6.742 2.024 2.232 1.00 41.14 O ATOM 478 CB ARG A 30 -7.014 0.872 5.140 1.00 72.34 C ATOM 479 CG ARG A 30 -6.560 -0.585 5.006 1.00 52.34 C ATOM 480 CD ARG A 30 -7.713 -1.562 5.224 1.00 3.54 C ATOM 481 NE ARG A 30 -8.702 -1.481 4.147 1.00 1.24 N ATOM 482 CZ ARG A 30 -9.995 -1.457 4.328 1.00 65.33 C ATOM 483 NH1 ARG A 30 -10.500 -1.500 5.518 1.00 3.33 N ATOM 484 NH2 ARG A 30 -10.789 -1.385 3.309 1.00 14.54 N ATOM 0 H ARG A 30 -7.510 3.392 4.518 1.00 3.04 H new ATOM 0 HA ARG A 30 -5.059 1.798 5.005 1.00 23.21 H new ATOM 0 HB2 ARG A 30 -7.154 1.102 6.196 1.00 72.34 H new ATOM 0 HB3 ARG A 30 -7.985 0.984 4.658 1.00 72.34 H new ATOM 0 HG2 ARG A 30 -6.133 -0.743 4.016 1.00 52.34 H new ATOM 0 HG3 ARG A 30 -5.771 -0.787 5.730 1.00 52.34 H new ATOM 0 HD2 ARG A 30 -7.323 -2.578 5.284 1.00 3.54 H new ATOM 0 HD3 ARG A 30 -8.195 -1.349 6.178 1.00 3.54 H new ATOM 0 HE ARG A 30 -8.357 -1.440 3.188 1.00 1.24 H new ATOM 0 HH11 ARG A 30 -9.886 -1.553 6.331 1.00 3.33 H new ATOM 0 HH12 ARG A 30 -11.512 -1.480 5.644 1.00 3.33 H new ATOM 0 HH21 ARG A 30 -10.405 -1.347 2.365 1.00 14.54 H new ATOM 0 HH22 ARG A 30 -11.799 -1.366 3.450 1.00 14.54 H new ATOM 498 N GLY A 31 -4.824 0.930 2.633 1.00 53.24 N ATOM 499 CA GLY A 31 -4.630 0.585 1.226 1.00 55.04 C ATOM 500 C GLY A 31 -4.004 -0.792 1.020 1.00 33.35 C ATOM 501 O GLY A 31 -3.642 -1.473 1.980 1.00 11.23 O ATOM 0 H GLY A 31 -4.088 0.603 3.259 1.00 53.24 H new ATOM 0 HA2 GLY A 31 -5.592 0.618 0.715 1.00 55.04 H new ATOM 0 HA3 GLY A 31 -3.995 1.338 0.759 1.00 55.04 H new ATOM 505 N LEU A 32 -3.857 -1.196 -0.240 1.00 51.11 N ATOM 506 CA LEU A 32 -3.326 -2.521 -0.577 1.00 72.45 C ATOM 507 C LEU A 32 -2.150 -2.422 -1.565 1.00 60.52 C ATOM 508 O LEU A 32 -2.257 -1.798 -2.622 1.00 35.22 O ATOM 509 CB LEU A 32 -4.442 -3.392 -1.176 1.00 43.35 C ATOM 510 CG LEU A 32 -4.040 -4.836 -1.524 1.00 52.20 C ATOM 511 CD1 LEU A 32 -3.607 -5.601 -0.273 1.00 51.42 C ATOM 512 CD2 LEU A 32 -5.185 -5.555 -2.235 1.00 60.10 C ATOM 0 H LEU A 32 -4.098 -0.624 -1.050 1.00 51.11 H new ATOM 0 HA LEU A 32 -2.956 -2.980 0.340 1.00 72.45 H new ATOM 0 HB2 LEU A 32 -5.272 -3.424 -0.470 1.00 43.35 H new ATOM 0 HB3 LEU A 32 -4.811 -2.908 -2.080 1.00 43.35 H new ATOM 0 HG LEU A 32 -3.188 -4.798 -2.202 1.00 52.20 H new ATOM 0 HD11 LEU A 32 -3.328 -6.618 -0.547 1.00 51.42 H new ATOM 0 HD12 LEU A 32 -2.752 -5.101 0.182 1.00 51.42 H new ATOM 0 HD13 LEU A 32 -4.432 -5.630 0.439 1.00 51.42 H new ATOM 0 HD21 LEU A 32 -4.882 -6.575 -2.473 1.00 60.10 H new ATOM 0 HD22 LEU A 32 -6.059 -5.579 -1.585 1.00 60.10 H new ATOM 0 HD23 LEU A 32 -5.432 -5.025 -3.155 1.00 60.10 H new ATOM 524 N LEU A 33 -1.029 -3.037 -1.203 1.00 32.24 N ATOM 525 CA LEU A 33 0.155 -3.091 -2.068 1.00 33.43 C ATOM 526 C LEU A 33 0.290 -4.484 -2.706 1.00 53.43 C ATOM 527 O LEU A 33 0.519 -5.475 -2.010 1.00 60.12 O ATOM 528 CB LEU A 33 1.410 -2.754 -1.245 1.00 45.22 C ATOM 529 CG LEU A 33 2.738 -2.756 -2.022 1.00 71.12 C ATOM 530 CD1 LEU A 33 2.710 -1.737 -3.160 1.00 1.13 C ATOM 531 CD2 LEU A 33 3.908 -2.480 -1.077 1.00 33.31 C ATOM 0 H LEU A 33 -0.911 -3.511 -0.308 1.00 32.24 H new ATOM 0 HA LEU A 33 0.046 -2.359 -2.868 1.00 33.43 H new ATOM 0 HB2 LEU A 33 1.274 -1.770 -0.796 1.00 45.22 H new ATOM 0 HB3 LEU A 33 1.488 -3.470 -0.426 1.00 45.22 H new ATOM 0 HG LEU A 33 2.873 -3.744 -2.462 1.00 71.12 H new ATOM 0 HD11 LEU A 33 3.661 -1.760 -3.692 1.00 1.13 H new ATOM 0 HD12 LEU A 33 1.902 -1.983 -3.849 1.00 1.13 H new ATOM 0 HD13 LEU A 33 2.547 -0.740 -2.751 1.00 1.13 H new ATOM 0 HD21 LEU A 33 4.840 -2.485 -1.641 1.00 33.31 H new ATOM 0 HD22 LEU A 33 3.774 -1.506 -0.606 1.00 33.31 H new ATOM 0 HD23 LEU A 33 3.945 -3.252 -0.309 1.00 33.31 H new ATOM 543 N ARG A 34 0.139 -4.557 -4.030 1.00 32.12 N ATOM 544 CA ARG A 34 0.138 -5.843 -4.747 1.00 24.23 C ATOM 545 C ARG A 34 1.532 -6.190 -5.308 1.00 73.42 C ATOM 546 O ARG A 34 2.290 -5.308 -5.711 1.00 12.44 O ATOM 547 CB ARG A 34 -0.905 -5.806 -5.873 1.00 43.23 C ATOM 548 CG ARG A 34 -2.313 -5.480 -5.376 1.00 62.33 C ATOM 549 CD ARG A 34 -3.312 -5.354 -6.522 1.00 71.32 C ATOM 550 NE ARG A 34 -4.631 -4.918 -6.054 1.00 11.32 N ATOM 551 CZ ARG A 34 -5.039 -3.677 -6.073 1.00 25.33 C ATOM 552 NH1 ARG A 34 -4.248 -2.729 -6.457 1.00 22.12 N ATOM 553 NH2 ARG A 34 -6.232 -3.376 -5.672 1.00 75.11 N ATOM 0 H ARG A 34 0.015 -3.743 -4.632 1.00 32.12 H new ATOM 0 HA ARG A 34 -0.124 -6.626 -4.036 1.00 24.23 H new ATOM 0 HB2 ARG A 34 -0.606 -5.063 -6.613 1.00 43.23 H new ATOM 0 HB3 ARG A 34 -0.919 -6.771 -6.379 1.00 43.23 H new ATOM 0 HG2 ARG A 34 -2.645 -6.260 -4.691 1.00 62.33 H new ATOM 0 HG3 ARG A 34 -2.291 -4.548 -4.811 1.00 62.33 H new ATOM 0 HD2 ARG A 34 -2.934 -4.642 -7.256 1.00 71.32 H new ATOM 0 HD3 ARG A 34 -3.406 -6.315 -7.028 1.00 71.32 H new ATOM 0 HE ARG A 34 -5.269 -5.627 -5.692 1.00 11.32 H new ATOM 0 HH11 ARG A 34 -3.295 -2.947 -6.749 1.00 22.12 H new ATOM 0 HH12 ARG A 34 -4.577 -1.764 -6.468 1.00 22.12 H new ATOM 0 HH21 ARG A 34 -6.858 -4.109 -5.339 1.00 75.11 H new ATOM 0 HH22 ARG A 34 -6.546 -2.406 -5.689 1.00 75.11 H new ATOM 567 N PRO A 35 1.878 -7.499 -5.354 1.00 43.43 N ATOM 568 CA PRO A 35 3.219 -7.971 -5.766 1.00 72.44 C ATOM 569 C PRO A 35 3.698 -7.433 -7.129 1.00 54.43 C ATOM 570 O PRO A 35 4.894 -7.207 -7.325 1.00 11.10 O ATOM 571 CB PRO A 35 3.052 -9.497 -5.833 1.00 74.34 C ATOM 572 CG PRO A 35 1.928 -9.798 -4.902 1.00 21.11 C ATOM 573 CD PRO A 35 0.988 -8.626 -4.996 1.00 22.53 C ATOM 0 HA PRO A 35 3.978 -7.620 -5.066 1.00 72.44 H new ATOM 0 HB2 PRO A 35 2.825 -9.826 -6.847 1.00 74.34 H new ATOM 0 HB3 PRO A 35 3.965 -10.009 -5.529 1.00 74.34 H new ATOM 0 HG2 PRO A 35 1.426 -10.724 -5.182 1.00 21.11 H new ATOM 0 HG3 PRO A 35 2.290 -9.927 -3.882 1.00 21.11 H new ATOM 0 HD2 PRO A 35 0.220 -8.787 -5.752 1.00 22.53 H new ATOM 0 HD3 PRO A 35 0.473 -8.447 -4.052 1.00 22.53 H new ATOM 581 N ARG A 36 2.774 -7.235 -8.068 1.00 13.34 N ATOM 582 CA ARG A 36 3.145 -6.807 -9.425 1.00 63.14 C ATOM 583 C ARG A 36 3.463 -5.305 -9.497 1.00 24.31 C ATOM 584 O ARG A 36 4.004 -4.824 -10.496 1.00 21.30 O ATOM 585 CB ARG A 36 2.035 -7.160 -10.423 1.00 32.20 C ATOM 586 CG ARG A 36 1.694 -8.649 -10.464 1.00 3.41 C ATOM 587 CD ARG A 36 0.877 -9.000 -11.701 1.00 13.01 C ATOM 588 NE ARG A 36 1.627 -8.732 -12.929 1.00 30.03 N ATOM 589 CZ ARG A 36 1.137 -8.847 -14.132 1.00 43.04 C ATOM 590 NH1 ARG A 36 -0.096 -9.190 -14.312 1.00 4.31 N ATOM 591 NH2 ARG A 36 1.881 -8.595 -15.157 1.00 5.32 N ATOM 0 H ARG A 36 1.772 -7.361 -7.921 1.00 13.34 H new ATOM 0 HA ARG A 36 4.054 -7.346 -9.691 1.00 63.14 H new ATOM 0 HB2 ARG A 36 1.137 -6.598 -10.167 1.00 32.20 H new ATOM 0 HB3 ARG A 36 2.339 -6.839 -11.419 1.00 32.20 H new ATOM 0 HG2 ARG A 36 2.613 -9.234 -10.456 1.00 3.41 H new ATOM 0 HG3 ARG A 36 1.135 -8.920 -9.568 1.00 3.41 H new ATOM 0 HD2 ARG A 36 0.596 -10.053 -11.667 1.00 13.01 H new ATOM 0 HD3 ARG A 36 -0.048 -8.423 -11.704 1.00 13.01 H new ATOM 0 HE ARG A 36 2.599 -8.435 -12.838 1.00 30.03 H new ATOM 0 HH11 ARG A 36 -0.697 -9.374 -13.508 1.00 4.31 H new ATOM 0 HH12 ARG A 36 -0.468 -9.277 -15.258 1.00 4.31 H new ATOM 0 HH21 ARG A 36 2.850 -8.307 -15.025 1.00 5.32 H new ATOM 0 HH22 ARG A 36 1.499 -8.684 -16.099 1.00 5.32 H new ATOM 605 N ASP A 37 3.127 -4.571 -8.444 1.00 43.34 N ATOM 606 CA ASP A 37 3.426 -3.139 -8.372 1.00 54.11 C ATOM 607 C ASP A 37 4.749 -2.881 -7.627 1.00 20.02 C ATOM 608 O ASP A 37 5.134 -1.733 -7.391 1.00 52.32 O ATOM 609 CB ASP A 37 2.275 -2.409 -7.675 1.00 2.02 C ATOM 610 CG ASP A 37 0.954 -2.601 -8.400 1.00 74.35 C ATOM 611 OD1 ASP A 37 0.658 -1.821 -9.328 1.00 15.44 O ATOM 612 OD2 ASP A 37 0.210 -3.544 -8.055 1.00 43.01 O ATOM 0 H ASP A 37 2.646 -4.941 -7.624 1.00 43.34 H new ATOM 0 HA ASP A 37 3.537 -2.759 -9.387 1.00 54.11 H new ATOM 0 HB2 ASP A 37 2.183 -2.773 -6.652 1.00 2.02 H new ATOM 0 HB3 ASP A 37 2.504 -1.345 -7.616 1.00 2.02 H new ATOM 617 N MET A 38 5.447 -3.959 -7.272 1.00 4.31 N ATOM 618 CA MET A 38 6.703 -3.859 -6.522 1.00 12.20 C ATOM 619 C MET A 38 7.924 -3.824 -7.450 1.00 31.14 C ATOM 620 O MET A 38 7.900 -4.372 -8.552 1.00 62.33 O ATOM 621 CB MET A 38 6.830 -5.039 -5.553 1.00 4.04 C ATOM 622 CG MET A 38 5.692 -5.119 -4.549 1.00 60.11 C ATOM 623 SD MET A 38 5.530 -3.611 -3.577 1.00 15.12 S ATOM 624 CE MET A 38 7.054 -3.634 -2.638 1.00 11.20 C ATOM 0 H MET A 38 5.165 -4.914 -7.491 1.00 4.31 H new ATOM 0 HA MET A 38 6.677 -2.922 -5.966 1.00 12.20 H new ATOM 0 HB2 MET A 38 6.867 -5.967 -6.124 1.00 4.04 H new ATOM 0 HB3 MET A 38 7.775 -4.958 -5.015 1.00 4.04 H new ATOM 0 HG2 MET A 38 4.758 -5.310 -5.077 1.00 60.11 H new ATOM 0 HG3 MET A 38 5.859 -5.963 -3.880 1.00 60.11 H new ATOM 0 HE1 MET A 38 6.945 -3.008 -1.753 1.00 11.20 H new ATOM 0 HE2 MET A 38 7.279 -4.656 -2.334 1.00 11.20 H new ATOM 0 HE3 MET A 38 7.867 -3.252 -3.255 1.00 11.20 H new ATOM 634 N ILE A 39 8.993 -3.170 -6.992 1.00 55.22 N ATOM 635 CA ILE A 39 10.246 -3.092 -7.759 1.00 21.31 C ATOM 636 C ILE A 39 11.332 -4.024 -7.181 1.00 53.31 C ATOM 637 O ILE A 39 11.722 -5.008 -7.813 1.00 13.01 O ATOM 638 CB ILE A 39 10.796 -1.638 -7.802 1.00 12.14 C ATOM 639 CG1 ILE A 39 9.753 -0.674 -8.403 1.00 41.04 C ATOM 640 CG2 ILE A 39 12.109 -1.572 -8.591 1.00 44.45 C ATOM 641 CD1 ILE A 39 9.372 -0.979 -9.839 1.00 14.10 C ATOM 0 H ILE A 39 9.020 -2.686 -6.095 1.00 55.22 H new ATOM 0 HA ILE A 39 10.006 -3.416 -8.772 1.00 21.31 H new ATOM 0 HB ILE A 39 10.999 -1.326 -6.777 1.00 12.14 H new ATOM 0 HG12 ILE A 39 8.854 -0.702 -7.788 1.00 41.04 H new ATOM 0 HG13 ILE A 39 10.143 0.342 -8.352 1.00 41.04 H new ATOM 0 HG21 ILE A 39 12.473 -0.545 -8.606 1.00 44.45 H new ATOM 0 HG22 ILE A 39 12.852 -2.213 -8.116 1.00 44.45 H new ATOM 0 HG23 ILE A 39 11.937 -1.911 -9.612 1.00 44.45 H new ATOM 0 HD11 ILE A 39 8.635 -0.253 -10.182 1.00 14.10 H new ATOM 0 HD12 ILE A 39 10.258 -0.922 -10.471 1.00 14.10 H new ATOM 0 HD13 ILE A 39 8.949 -1.982 -9.898 1.00 14.10 H new ATOM 653 N SER A 40 11.818 -3.708 -5.978 1.00 1.03 N ATOM 654 CA SER A 40 12.930 -4.463 -5.363 1.00 73.41 C ATOM 655 C SER A 40 12.520 -5.195 -4.071 1.00 31.43 C ATOM 656 O SER A 40 13.335 -5.893 -3.468 1.00 73.40 O ATOM 657 CB SER A 40 14.104 -3.515 -5.061 1.00 65.01 C ATOM 658 OG SER A 40 14.545 -2.850 -6.237 1.00 23.53 O ATOM 0 H SER A 40 11.466 -2.940 -5.407 1.00 1.03 H new ATOM 0 HA SER A 40 13.228 -5.223 -6.085 1.00 73.41 H new ATOM 0 HB2 SER A 40 13.798 -2.779 -4.317 1.00 65.01 H new ATOM 0 HB3 SER A 40 14.929 -4.081 -4.629 1.00 65.01 H new ATOM 0 HG SER A 40 15.290 -2.253 -6.015 1.00 23.53 H new ATOM 664 N LEU A 41 11.262 -5.044 -3.645 1.00 5.22 N ATOM 665 CA LEU A 41 10.793 -5.659 -2.390 1.00 14.23 C ATOM 666 C LEU A 41 9.714 -6.731 -2.627 1.00 52.30 C ATOM 667 O LEU A 41 8.743 -6.511 -3.348 1.00 35.21 O ATOM 668 CB LEU A 41 10.253 -4.585 -1.433 1.00 64.44 C ATOM 669 CG LEU A 41 11.303 -3.620 -0.860 1.00 22.02 C ATOM 670 CD1 LEU A 41 10.650 -2.597 0.066 1.00 43.24 C ATOM 671 CD2 LEU A 41 12.394 -4.391 -0.119 1.00 14.31 C ATOM 0 H LEU A 41 10.552 -4.507 -4.143 1.00 5.22 H new ATOM 0 HA LEU A 41 11.655 -6.152 -1.941 1.00 14.23 H new ATOM 0 HB2 LEU A 41 9.498 -4.001 -1.959 1.00 64.44 H new ATOM 0 HB3 LEU A 41 9.751 -5.082 -0.603 1.00 64.44 H new ATOM 0 HG LEU A 41 11.762 -3.085 -1.691 1.00 22.02 H new ATOM 0 HD11 LEU A 41 11.412 -1.924 0.460 1.00 43.24 H new ATOM 0 HD12 LEU A 41 9.911 -2.021 -0.491 1.00 43.24 H new ATOM 0 HD13 LEU A 41 10.160 -3.114 0.891 1.00 43.24 H new ATOM 0 HD21 LEU A 41 13.128 -3.690 0.279 1.00 14.31 H new ATOM 0 HD22 LEU A 41 11.948 -4.955 0.701 1.00 14.31 H new ATOM 0 HD23 LEU A 41 12.885 -5.079 -0.808 1.00 14.31 H new ATOM 683 N ARG A 42 9.903 -7.889 -1.997 1.00 1.12 N ATOM 684 CA ARG A 42 8.938 -8.997 -2.040 1.00 41.03 C ATOM 685 C ARG A 42 8.112 -9.056 -0.743 1.00 43.31 C ATOM 686 O ARG A 42 8.612 -8.723 0.331 1.00 54.34 O ATOM 687 CB ARG A 42 9.694 -10.325 -2.223 1.00 70.10 C ATOM 688 CG ARG A 42 10.360 -10.481 -3.589 1.00 11.45 C ATOM 689 CD ARG A 42 9.337 -10.744 -4.687 1.00 23.41 C ATOM 690 NE ARG A 42 8.694 -12.041 -4.493 1.00 42.55 N ATOM 691 CZ ARG A 42 7.607 -12.434 -5.092 1.00 22.00 C ATOM 692 NH1 ARG A 42 6.996 -11.668 -5.937 1.00 3.14 N ATOM 693 NH2 ARG A 42 7.135 -13.607 -4.839 1.00 74.20 N ATOM 0 H ARG A 42 10.732 -8.091 -1.438 1.00 1.12 H new ATOM 0 HA ARG A 42 8.259 -8.833 -2.877 1.00 41.03 H new ATOM 0 HB2 ARG A 42 10.456 -10.407 -1.448 1.00 70.10 H new ATOM 0 HB3 ARG A 42 8.998 -11.150 -2.074 1.00 70.10 H new ATOM 0 HG2 ARG A 42 10.923 -9.578 -3.825 1.00 11.45 H new ATOM 0 HG3 ARG A 42 11.075 -11.303 -3.554 1.00 11.45 H new ATOM 0 HD2 ARG A 42 8.584 -9.956 -4.686 1.00 23.41 H new ATOM 0 HD3 ARG A 42 9.826 -10.717 -5.661 1.00 23.41 H new ATOM 0 HE ARG A 42 9.130 -12.689 -3.837 1.00 42.55 H new ATOM 0 HH11 ARG A 42 7.365 -10.740 -6.143 1.00 3.14 H new ATOM 0 HH12 ARG A 42 6.145 -11.992 -6.397 1.00 3.14 H new ATOM 0 HH21 ARG A 42 7.613 -14.217 -4.175 1.00 74.20 H new ATOM 0 HH22 ARG A 42 6.284 -13.925 -5.303 1.00 74.20 H new ATOM 707 N LEU A 43 6.853 -9.495 -0.840 1.00 33.02 N ATOM 708 CA LEU A 43 6.009 -9.690 0.355 1.00 73.51 C ATOM 709 C LEU A 43 6.686 -10.649 1.347 1.00 12.44 C ATOM 710 O LEU A 43 6.493 -10.562 2.556 1.00 11.33 O ATOM 711 CB LEU A 43 4.634 -10.253 -0.035 1.00 1.52 C ATOM 712 CG LEU A 43 3.806 -9.389 -1.000 1.00 31.33 C ATOM 713 CD1 LEU A 43 2.483 -10.075 -1.330 1.00 75.43 C ATOM 714 CD2 LEU A 43 3.560 -7.998 -0.416 1.00 54.21 C ATOM 0 H LEU A 43 6.394 -9.722 -1.722 1.00 33.02 H new ATOM 0 HA LEU A 43 5.876 -8.717 0.829 1.00 73.51 H new ATOM 0 HB2 LEU A 43 4.779 -11.233 -0.489 1.00 1.52 H new ATOM 0 HB3 LEU A 43 4.054 -10.406 0.875 1.00 1.52 H new ATOM 0 HG LEU A 43 4.375 -9.271 -1.922 1.00 31.33 H new ATOM 0 HD11 LEU A 43 1.910 -9.450 -2.014 1.00 75.43 H new ATOM 0 HD12 LEU A 43 2.680 -11.039 -1.799 1.00 75.43 H new ATOM 0 HD13 LEU A 43 1.913 -10.227 -0.413 1.00 75.43 H new ATOM 0 HD21 LEU A 43 2.972 -7.407 -1.118 1.00 54.21 H new ATOM 0 HD22 LEU A 43 3.017 -8.089 0.525 1.00 54.21 H new ATOM 0 HD23 LEU A 43 4.515 -7.504 -0.237 1.00 54.21 H new ATOM 726 N GLU A 44 7.503 -11.545 0.801 1.00 34.33 N ATOM 727 CA GLU A 44 8.222 -12.561 1.580 1.00 2.31 C ATOM 728 C GLU A 44 9.284 -11.929 2.500 1.00 12.54 C ATOM 729 O GLU A 44 9.853 -12.598 3.365 1.00 2.12 O ATOM 730 CB GLU A 44 8.888 -13.539 0.599 1.00 51.23 C ATOM 731 CG GLU A 44 7.931 -14.044 -0.477 1.00 52.22 C ATOM 732 CD GLU A 44 8.606 -14.884 -1.550 1.00 55.30 C ATOM 733 OE1 GLU A 44 8.931 -16.059 -1.282 1.00 61.10 O ATOM 734 OE2 GLU A 44 8.796 -14.374 -2.675 1.00 41.34 O ATOM 0 H GLU A 44 7.689 -11.591 -0.201 1.00 34.33 H new ATOM 0 HA GLU A 44 7.512 -13.083 2.221 1.00 2.31 H new ATOM 0 HB2 GLU A 44 9.736 -13.047 0.122 1.00 51.23 H new ATOM 0 HB3 GLU A 44 9.284 -14.389 1.154 1.00 51.23 H new ATOM 0 HG2 GLU A 44 7.147 -14.636 -0.005 1.00 52.22 H new ATOM 0 HG3 GLU A 44 7.445 -13.190 -0.949 1.00 52.22 H new ATOM 741 N ASN A 45 9.558 -10.642 2.292 1.00 10.42 N ATOM 742 CA ASN A 45 10.561 -9.919 3.082 1.00 10.13 C ATOM 743 C ASN A 45 9.913 -8.854 3.977 1.00 62.23 C ATOM 744 O ASN A 45 10.517 -8.397 4.947 1.00 23.03 O ATOM 745 CB ASN A 45 11.577 -9.247 2.152 1.00 33.53 C ATOM 746 CG ASN A 45 12.135 -10.194 1.109 1.00 12.02 C ATOM 747 OD1 ASN A 45 12.236 -11.395 1.324 1.00 45.31 O ATOM 748 ND2 ASN A 45 12.517 -9.659 -0.029 1.00 21.10 N ATOM 0 H ASN A 45 9.099 -10.074 1.580 1.00 10.42 H new ATOM 0 HA ASN A 45 11.064 -10.645 3.720 1.00 10.13 H new ATOM 0 HB2 ASN A 45 11.102 -8.403 1.652 1.00 33.53 H new ATOM 0 HB3 ASN A 45 12.397 -8.845 2.747 1.00 33.53 H new ATOM 0 HD21 ASN A 45 12.910 -10.248 -0.763 1.00 21.10 H new ATOM 0 HD22 ASN A 45 12.420 -8.655 -0.178 1.00 21.10 H new ATOM 755 N LEU A 46 8.687 -8.457 3.647 1.00 61.55 N ATOM 756 CA LEU A 46 7.998 -7.392 4.382 1.00 65.12 C ATOM 757 C LEU A 46 7.478 -7.892 5.739 1.00 43.41 C ATOM 758 O LEU A 46 6.947 -9.000 5.848 1.00 1.44 O ATOM 759 CB LEU A 46 6.837 -6.832 3.546 1.00 41.45 C ATOM 760 CG LEU A 46 7.213 -6.337 2.139 1.00 44.20 C ATOM 761 CD1 LEU A 46 5.998 -5.737 1.435 1.00 10.23 C ATOM 762 CD2 LEU A 46 8.362 -5.330 2.206 1.00 13.21 C ATOM 0 H LEU A 46 8.148 -8.854 2.877 1.00 61.55 H new ATOM 0 HA LEU A 46 8.720 -6.597 4.570 1.00 65.12 H new ATOM 0 HB2 LEU A 46 6.076 -7.606 3.449 1.00 41.45 H new ATOM 0 HB3 LEU A 46 6.383 -6.006 4.094 1.00 41.45 H new ATOM 0 HG LEU A 46 7.552 -7.193 1.555 1.00 44.20 H new ATOM 0 HD11 LEU A 46 6.286 -5.393 0.442 1.00 10.23 H new ATOM 0 HD12 LEU A 46 5.219 -6.494 1.345 1.00 10.23 H new ATOM 0 HD13 LEU A 46 5.620 -4.895 2.015 1.00 10.23 H new ATOM 0 HD21 LEU A 46 8.610 -4.994 1.199 1.00 13.21 H new ATOM 0 HD22 LEU A 46 8.061 -4.474 2.810 1.00 13.21 H new ATOM 0 HD23 LEU A 46 9.235 -5.803 2.656 1.00 13.21 H new ATOM 774 N ASN A 47 7.641 -7.070 6.774 1.00 41.44 N ATOM 775 CA ASN A 47 7.183 -7.411 8.125 1.00 25.12 C ATOM 776 C ASN A 47 6.223 -6.339 8.661 1.00 23.02 C ATOM 777 O ASN A 47 6.215 -5.199 8.187 1.00 73.52 O ATOM 778 CB ASN A 47 8.380 -7.534 9.076 1.00 34.13 C ATOM 779 CG ASN A 47 9.481 -8.421 8.522 1.00 12.33 C ATOM 780 OD1 ASN A 47 9.510 -9.624 8.753 1.00 62.02 O ATOM 781 ND2 ASN A 47 10.399 -7.831 7.784 1.00 33.34 N ATOM 0 H ASN A 47 8.090 -6.157 6.704 1.00 41.44 H new ATOM 0 HA ASN A 47 6.658 -8.365 8.071 1.00 25.12 H new ATOM 0 HB2 ASN A 47 8.784 -6.541 9.275 1.00 34.13 H new ATOM 0 HB3 ASN A 47 8.041 -7.937 10.030 1.00 34.13 H new ATOM 0 HD21 ASN A 47 11.163 -8.378 7.386 1.00 33.34 H new ATOM 0 HD22 ASN A 47 10.346 -6.827 7.610 1.00 33.34 H new ATOM 788 N VAL A 48 5.417 -6.703 9.651 1.00 11.34 N ATOM 789 CA VAL A 48 4.532 -5.739 10.307 1.00 33.14 C ATOM 790 C VAL A 48 5.356 -4.642 10.997 1.00 40.03 C ATOM 791 O VAL A 48 6.071 -4.906 11.961 1.00 21.23 O ATOM 792 CB VAL A 48 3.616 -6.424 11.354 1.00 64.42 C ATOM 793 CG1 VAL A 48 2.650 -5.414 11.976 1.00 13.54 C ATOM 794 CG2 VAL A 48 2.859 -7.590 10.724 1.00 22.31 C ATOM 0 H VAL A 48 5.355 -7.653 10.018 1.00 11.34 H new ATOM 0 HA VAL A 48 3.903 -5.298 9.534 1.00 33.14 H new ATOM 0 HB VAL A 48 4.244 -6.820 12.152 1.00 64.42 H new ATOM 0 HG11 VAL A 48 2.018 -5.918 12.707 1.00 13.54 H new ATOM 0 HG12 VAL A 48 3.217 -4.624 12.469 1.00 13.54 H new ATOM 0 HG13 VAL A 48 2.026 -4.979 11.195 1.00 13.54 H new ATOM 0 HG21 VAL A 48 2.222 -8.058 11.474 1.00 22.31 H new ATOM 0 HG22 VAL A 48 2.243 -7.223 9.903 1.00 22.31 H new ATOM 0 HG23 VAL A 48 3.571 -8.323 10.344 1.00 22.31 H new ATOM 804 N GLY A 49 5.259 -3.412 10.498 1.00 75.54 N ATOM 805 CA GLY A 49 6.058 -2.318 11.050 1.00 15.20 C ATOM 806 C GLY A 49 7.061 -1.728 10.061 1.00 71.43 C ATOM 807 O GLY A 49 7.699 -0.713 10.352 1.00 34.43 O ATOM 0 H GLY A 49 4.647 -3.149 9.726 1.00 75.54 H new ATOM 0 HA2 GLY A 49 5.389 -1.527 11.390 1.00 15.20 H new ATOM 0 HA3 GLY A 49 6.596 -2.679 11.927 1.00 15.20 H new ATOM 811 N ASP A 50 7.222 -2.365 8.898 1.00 24.40 N ATOM 812 CA ASP A 50 8.061 -1.805 7.834 1.00 51.21 C ATOM 813 C ASP A 50 7.345 -0.644 7.123 1.00 4.35 C ATOM 814 O ASP A 50 6.242 -0.804 6.595 1.00 15.23 O ATOM 815 CB ASP A 50 8.465 -2.883 6.813 1.00 13.30 C ATOM 816 CG ASP A 50 9.631 -3.738 7.289 1.00 21.12 C ATOM 817 OD1 ASP A 50 10.690 -3.169 7.627 1.00 42.41 O ATOM 818 OD2 ASP A 50 9.515 -4.980 7.296 1.00 63.35 O ATOM 0 H ASP A 50 6.788 -3.259 8.670 1.00 24.40 H new ATOM 0 HA ASP A 50 8.968 -1.422 8.302 1.00 51.21 H new ATOM 0 HB2 ASP A 50 7.608 -3.525 6.611 1.00 13.30 H new ATOM 0 HB3 ASP A 50 8.733 -2.403 5.871 1.00 13.30 H new ATOM 823 N GLU A 51 7.976 0.524 7.126 1.00 54.43 N ATOM 824 CA GLU A 51 7.422 1.713 6.472 1.00 24.42 C ATOM 825 C GLU A 51 7.946 1.849 5.036 1.00 13.15 C ATOM 826 O GLU A 51 9.153 1.940 4.813 1.00 14.43 O ATOM 827 CB GLU A 51 7.776 2.968 7.274 1.00 4.23 C ATOM 828 CG GLU A 51 7.163 3.012 8.667 1.00 42.54 C ATOM 829 CD GLU A 51 7.532 4.276 9.425 1.00 14.01 C ATOM 830 OE1 GLU A 51 7.225 5.379 8.926 1.00 41.54 O ATOM 831 OE2 GLU A 51 8.112 4.178 10.526 1.00 72.15 O ATOM 0 H GLU A 51 8.878 0.678 7.576 1.00 54.43 H new ATOM 0 HA GLU A 51 6.338 1.602 6.433 1.00 24.42 H new ATOM 0 HB2 GLU A 51 8.860 3.034 7.364 1.00 4.23 H new ATOM 0 HB3 GLU A 51 7.448 3.846 6.717 1.00 4.23 H new ATOM 0 HG2 GLU A 51 6.078 2.945 8.585 1.00 42.54 H new ATOM 0 HG3 GLU A 51 7.495 2.142 9.234 1.00 42.54 H new ATOM 838 N ILE A 52 7.036 1.878 4.066 1.00 65.21 N ATOM 839 CA ILE A 52 7.412 1.938 2.648 1.00 33.05 C ATOM 840 C ILE A 52 6.839 3.188 1.954 1.00 11.04 C ATOM 841 O ILE A 52 5.687 3.564 2.179 1.00 31.45 O ATOM 842 CB ILE A 52 6.923 0.669 1.896 1.00 5.14 C ATOM 843 CG1 ILE A 52 7.487 -0.603 2.558 1.00 55.55 C ATOM 844 CG2 ILE A 52 7.314 0.726 0.418 1.00 52.53 C ATOM 845 CD1 ILE A 52 7.065 -1.893 1.879 1.00 65.51 C ATOM 0 H ILE A 52 6.030 1.861 4.232 1.00 65.21 H new ATOM 0 HA ILE A 52 8.500 1.991 2.612 1.00 33.05 H new ATOM 0 HB ILE A 52 5.835 0.636 1.957 1.00 5.14 H new ATOM 0 HG12 ILE A 52 8.575 -0.546 2.562 1.00 55.55 H new ATOM 0 HG13 ILE A 52 7.166 -0.631 3.599 1.00 55.55 H new ATOM 0 HG21 ILE A 52 6.961 -0.173 -0.087 1.00 52.53 H new ATOM 0 HG22 ILE A 52 6.862 1.603 -0.044 1.00 52.53 H new ATOM 0 HG23 ILE A 52 8.399 0.789 0.331 1.00 52.53 H new ATOM 0 HD11 ILE A 52 7.503 -2.741 2.405 1.00 65.51 H new ATOM 0 HD12 ILE A 52 5.978 -1.976 1.899 1.00 65.51 H new ATOM 0 HD13 ILE A 52 7.410 -1.890 0.845 1.00 65.51 H new ATOM 857 N ILE A 53 7.658 3.832 1.120 1.00 2.23 N ATOM 858 CA ILE A 53 7.210 4.979 0.318 1.00 11.44 C ATOM 859 C ILE A 53 6.523 4.496 -0.968 1.00 21.04 C ATOM 860 O ILE A 53 7.168 3.945 -1.864 1.00 13.22 O ATOM 861 CB ILE A 53 8.396 5.909 -0.055 1.00 53.32 C ATOM 862 CG1 ILE A 53 9.121 6.397 1.212 1.00 41.54 C ATOM 863 CG2 ILE A 53 7.907 7.095 -0.887 1.00 20.22 C ATOM 864 CD1 ILE A 53 10.334 7.266 0.932 1.00 41.44 C ATOM 0 H ILE A 53 8.637 3.581 0.980 1.00 2.23 H new ATOM 0 HA ILE A 53 6.502 5.544 0.924 1.00 11.44 H new ATOM 0 HB ILE A 53 9.104 5.338 -0.655 1.00 53.32 H new ATOM 0 HG12 ILE A 53 8.418 6.959 1.827 1.00 41.54 H new ATOM 0 HG13 ILE A 53 9.434 5.531 1.796 1.00 41.54 H new ATOM 0 HG21 ILE A 53 8.752 7.736 -1.139 1.00 20.22 H new ATOM 0 HG22 ILE A 53 7.443 6.730 -1.803 1.00 20.22 H new ATOM 0 HG23 ILE A 53 7.177 7.666 -0.313 1.00 20.22 H new ATOM 0 HD11 ILE A 53 10.790 7.569 1.875 1.00 41.44 H new ATOM 0 HD12 ILE A 53 11.058 6.702 0.344 1.00 41.44 H new ATOM 0 HD13 ILE A 53 10.027 8.152 0.376 1.00 41.44 H new ATOM 876 N VAL A 54 5.210 4.694 -1.054 1.00 5.43 N ATOM 877 CA VAL A 54 4.424 4.185 -2.184 1.00 44.54 C ATOM 878 C VAL A 54 3.619 5.290 -2.885 1.00 62.51 C ATOM 879 O VAL A 54 3.392 6.372 -2.341 1.00 61.54 O ATOM 880 CB VAL A 54 3.450 3.061 -1.733 1.00 21.11 C ATOM 881 CG1 VAL A 54 4.220 1.832 -1.251 1.00 20.34 C ATOM 882 CG2 VAL A 54 2.505 3.567 -0.644 1.00 5.32 C ATOM 0 H VAL A 54 4.665 5.202 -0.358 1.00 5.43 H new ATOM 0 HA VAL A 54 5.147 3.782 -2.894 1.00 44.54 H new ATOM 0 HB VAL A 54 2.851 2.769 -2.596 1.00 21.11 H new ATOM 0 HG11 VAL A 54 3.516 1.060 -0.941 1.00 20.34 H new ATOM 0 HG12 VAL A 54 4.842 1.452 -2.061 1.00 20.34 H new ATOM 0 HG13 VAL A 54 4.852 2.107 -0.407 1.00 20.34 H new ATOM 0 HG21 VAL A 54 1.832 2.764 -0.344 1.00 5.32 H new ATOM 0 HG22 VAL A 54 3.086 3.895 0.218 1.00 5.32 H new ATOM 0 HG23 VAL A 54 1.922 4.404 -1.028 1.00 5.32 H new ATOM 892 N GLN A 55 3.202 5.009 -4.113 1.00 22.14 N ATOM 893 CA GLN A 55 2.330 5.914 -4.863 1.00 62.24 C ATOM 894 C GLN A 55 0.896 5.375 -4.889 1.00 51.55 C ATOM 895 O GLN A 55 0.654 4.257 -5.355 1.00 41.01 O ATOM 896 CB GLN A 55 2.849 6.083 -6.296 1.00 60.13 C ATOM 897 CG GLN A 55 1.996 7.007 -7.164 1.00 2.42 C ATOM 898 CD GLN A 55 2.523 7.129 -8.586 1.00 44.54 C ATOM 899 OE1 GLN A 55 3.126 6.205 -9.119 1.00 41.31 O ATOM 900 NE2 GLN A 55 2.298 8.267 -9.212 1.00 42.41 N ATOM 0 H GLN A 55 3.453 4.158 -4.616 1.00 22.14 H new ATOM 0 HA GLN A 55 2.332 6.885 -4.367 1.00 62.24 H new ATOM 0 HB2 GLN A 55 3.866 6.474 -6.259 1.00 60.13 H new ATOM 0 HB3 GLN A 55 2.901 5.103 -6.770 1.00 60.13 H new ATOM 0 HG2 GLN A 55 0.973 6.631 -7.191 1.00 2.42 H new ATOM 0 HG3 GLN A 55 1.960 7.996 -6.708 1.00 2.42 H new ATOM 0 HE21 GLN A 55 1.793 9.017 -8.740 1.00 42.41 H new ATOM 0 HE22 GLN A 55 2.629 8.397 -10.168 1.00 42.41 H new ATOM 909 N ALA A 56 -0.046 6.162 -4.380 1.00 70.01 N ATOM 910 CA ALA A 56 -1.460 5.785 -4.403 1.00 50.41 C ATOM 911 C ALA A 56 -2.037 5.938 -5.814 1.00 75.51 C ATOM 912 O ALA A 56 -2.453 7.025 -6.209 1.00 4.32 O ATOM 913 CB ALA A 56 -2.251 6.622 -3.401 1.00 12.24 C ATOM 0 H ALA A 56 0.141 7.066 -3.946 1.00 70.01 H new ATOM 0 HA ALA A 56 -1.543 4.737 -4.115 1.00 50.41 H new ATOM 0 HB1 ALA A 56 -3.301 6.329 -3.431 1.00 12.24 H new ATOM 0 HB2 ALA A 56 -1.857 6.458 -2.398 1.00 12.24 H new ATOM 0 HB3 ALA A 56 -2.161 7.678 -3.658 1.00 12.24 H new ATOM 919 N ILE A 57 -2.038 4.844 -6.575 1.00 12.13 N ATOM 920 CA ILE A 57 -2.485 4.859 -7.972 1.00 22.45 C ATOM 921 C ILE A 57 -3.930 5.370 -8.098 1.00 4.34 C ATOM 922 O ILE A 57 -4.170 6.452 -8.634 1.00 34.13 O ATOM 923 CB ILE A 57 -2.385 3.450 -8.612 1.00 72.12 C ATOM 924 CG1 ILE A 57 -0.960 2.885 -8.463 1.00 31.21 C ATOM 925 CG2 ILE A 57 -2.795 3.497 -10.086 1.00 24.31 C ATOM 926 CD1 ILE A 57 -0.799 1.485 -9.019 1.00 74.13 C ATOM 0 H ILE A 57 -1.732 3.928 -6.246 1.00 12.13 H new ATOM 0 HA ILE A 57 -1.822 5.541 -8.504 1.00 22.45 H new ATOM 0 HB ILE A 57 -3.072 2.787 -8.086 1.00 72.12 H new ATOM 0 HG12 ILE A 57 -0.260 3.550 -8.969 1.00 31.21 H new ATOM 0 HG13 ILE A 57 -0.689 2.881 -7.407 1.00 31.21 H new ATOM 0 HG21 ILE A 57 -2.718 2.499 -10.517 1.00 24.31 H new ATOM 0 HG22 ILE A 57 -3.824 3.849 -10.167 1.00 24.31 H new ATOM 0 HG23 ILE A 57 -2.136 4.177 -10.626 1.00 24.31 H new ATOM 0 HD11 ILE A 57 0.230 1.154 -8.879 1.00 74.13 H new ATOM 0 HD12 ILE A 57 -1.473 0.806 -8.497 1.00 74.13 H new ATOM 0 HD13 ILE A 57 -1.038 1.486 -10.083 1.00 74.13 H new ATOM 938 N ASP A 58 -4.885 4.583 -7.602 1.00 30.34 N ATOM 939 CA ASP A 58 -6.298 4.978 -7.599 1.00 65.11 C ATOM 940 C ASP A 58 -6.944 4.732 -6.227 1.00 20.40 C ATOM 941 O ASP A 58 -6.594 3.787 -5.518 1.00 64.43 O ATOM 942 CB ASP A 58 -7.084 4.220 -8.681 1.00 51.45 C ATOM 943 CG ASP A 58 -6.726 4.660 -10.088 1.00 31.20 C ATOM 944 OD1 ASP A 58 -7.088 5.795 -10.472 1.00 32.23 O ATOM 945 OD2 ASP A 58 -6.094 3.874 -10.825 1.00 14.23 O ATOM 0 H ASP A 58 -4.707 3.665 -7.195 1.00 30.34 H new ATOM 0 HA ASP A 58 -6.334 6.046 -7.816 1.00 65.11 H new ATOM 0 HB2 ASP A 58 -6.893 3.152 -8.580 1.00 51.45 H new ATOM 0 HB3 ASP A 58 -8.152 4.370 -8.519 1.00 51.45 H new ATOM 950 N VAL A 59 -7.882 5.600 -5.857 1.00 41.01 N ATOM 951 CA VAL A 59 -8.654 5.435 -4.622 1.00 51.11 C ATOM 952 C VAL A 59 -10.087 4.993 -4.949 1.00 11.43 C ATOM 953 O VAL A 59 -10.882 5.780 -5.463 1.00 51.51 O ATOM 954 CB VAL A 59 -8.692 6.746 -3.792 1.00 22.44 C ATOM 955 CG1 VAL A 59 -9.484 6.553 -2.497 1.00 35.33 C ATOM 956 CG2 VAL A 59 -7.273 7.235 -3.499 1.00 0.33 C ATOM 0 H VAL A 59 -8.129 6.430 -6.396 1.00 41.01 H new ATOM 0 HA VAL A 59 -8.160 4.668 -4.025 1.00 51.11 H new ATOM 0 HB VAL A 59 -9.201 7.509 -4.381 1.00 22.44 H new ATOM 0 HG11 VAL A 59 -9.495 7.487 -1.935 1.00 35.33 H new ATOM 0 HG12 VAL A 59 -10.507 6.261 -2.736 1.00 35.33 H new ATOM 0 HG13 VAL A 59 -9.015 5.773 -1.897 1.00 35.33 H new ATOM 0 HG21 VAL A 59 -7.318 8.155 -2.916 1.00 0.33 H new ATOM 0 HG22 VAL A 59 -6.735 6.474 -2.934 1.00 0.33 H new ATOM 0 HG23 VAL A 59 -6.753 7.425 -4.438 1.00 0.33 H new ATOM 966 N ARG A 60 -10.405 3.732 -4.662 1.00 4.32 N ATOM 967 CA ARG A 60 -11.723 3.167 -4.981 1.00 71.04 C ATOM 968 C ARG A 60 -12.684 3.297 -3.780 1.00 33.54 C ATOM 969 O ARG A 60 -12.621 2.497 -2.844 1.00 22.00 O ATOM 970 CB ARG A 60 -11.570 1.686 -5.361 1.00 32.53 C ATOM 971 CG ARG A 60 -10.475 1.413 -6.390 1.00 0.54 C ATOM 972 CD ARG A 60 -10.311 -0.082 -6.649 1.00 11.24 C ATOM 973 NE ARG A 60 -9.058 -0.390 -7.328 1.00 2.42 N ATOM 974 CZ ARG A 60 -8.717 -1.582 -7.734 1.00 61.14 C ATOM 975 NH1 ARG A 60 -9.516 -2.591 -7.585 1.00 13.31 N ATOM 976 NH2 ARG A 60 -7.564 -1.760 -8.286 1.00 43.54 N ATOM 0 H ARG A 60 -9.768 3.077 -4.208 1.00 4.32 H new ATOM 0 HA ARG A 60 -12.143 3.722 -5.820 1.00 71.04 H new ATOM 0 HB2 ARG A 60 -11.357 1.111 -4.460 1.00 32.53 H new ATOM 0 HB3 ARG A 60 -12.520 1.323 -5.753 1.00 32.53 H new ATOM 0 HG2 ARG A 60 -10.717 1.921 -7.324 1.00 0.54 H new ATOM 0 HG3 ARG A 60 -9.531 1.828 -6.037 1.00 0.54 H new ATOM 0 HD2 ARG A 60 -10.350 -0.619 -5.702 1.00 11.24 H new ATOM 0 HD3 ARG A 60 -11.146 -0.438 -7.252 1.00 11.24 H new ATOM 0 HE ARG A 60 -8.406 0.376 -7.496 1.00 2.42 H new ATOM 0 HH11 ARG A 60 -10.427 -2.460 -7.145 1.00 13.31 H new ATOM 0 HH12 ARG A 60 -9.234 -3.517 -7.908 1.00 13.31 H new ATOM 0 HH21 ARG A 60 -6.927 -0.972 -8.402 1.00 43.54 H new ATOM 0 HH22 ARG A 60 -7.290 -2.689 -8.606 1.00 43.54 H new ATOM 990 N PRO A 61 -13.588 4.301 -3.791 1.00 34.22 N ATOM 991 CA PRO A 61 -14.487 4.575 -2.650 1.00 31.45 C ATOM 992 C PRO A 61 -15.431 3.401 -2.339 1.00 52.30 C ATOM 993 O PRO A 61 -15.354 2.794 -1.265 1.00 63.22 O ATOM 994 CB PRO A 61 -15.285 5.816 -3.106 1.00 3.30 C ATOM 995 CG PRO A 61 -14.485 6.404 -4.222 1.00 52.41 C ATOM 996 CD PRO A 61 -13.819 5.240 -4.903 1.00 14.05 C ATOM 0 HA PRO A 61 -13.929 4.730 -1.726 1.00 31.45 H new ATOM 0 HB2 PRO A 61 -16.285 5.541 -3.440 1.00 3.30 H new ATOM 0 HB3 PRO A 61 -15.407 6.528 -2.290 1.00 3.30 H new ATOM 0 HG2 PRO A 61 -15.124 6.950 -4.916 1.00 52.41 H new ATOM 0 HG3 PRO A 61 -13.747 7.111 -3.844 1.00 52.41 H new ATOM 0 HD2 PRO A 61 -14.454 4.805 -5.675 1.00 14.05 H new ATOM 0 HD3 PRO A 61 -12.887 5.533 -5.386 1.00 14.05 H new ATOM 1004 N GLU A 62 -16.302 3.073 -3.296 1.00 10.14 N ATOM 1005 CA GLU A 62 -17.270 1.978 -3.143 1.00 64.15 C ATOM 1006 C GLU A 62 -16.579 0.623 -2.909 1.00 43.04 C ATOM 1007 O GLU A 62 -17.100 -0.238 -2.200 1.00 31.41 O ATOM 1008 CB GLU A 62 -18.153 1.889 -4.396 1.00 41.03 C ATOM 1009 CG GLU A 62 -17.366 1.584 -5.667 1.00 11.33 C ATOM 1010 CD GLU A 62 -18.229 1.570 -6.914 1.00 2.43 C ATOM 1011 OE1 GLU A 62 -18.446 2.649 -7.505 1.00 73.42 O ATOM 1012 OE2 GLU A 62 -18.683 0.480 -7.318 1.00 43.32 O ATOM 0 H GLU A 62 -16.359 3.554 -4.194 1.00 10.14 H new ATOM 0 HA GLU A 62 -17.878 2.199 -2.266 1.00 64.15 H new ATOM 0 HB2 GLU A 62 -18.905 1.114 -4.248 1.00 41.03 H new ATOM 0 HB3 GLU A 62 -18.686 2.831 -4.524 1.00 41.03 H new ATOM 0 HG2 GLU A 62 -16.578 2.328 -5.786 1.00 11.33 H new ATOM 0 HG3 GLU A 62 -16.877 0.616 -5.560 1.00 11.33 H new ATOM 1019 N LYS A 63 -15.407 0.437 -3.517 1.00 2.11 N ATOM 1020 CA LYS A 63 -14.671 -0.827 -3.410 1.00 11.41 C ATOM 1021 C LYS A 63 -13.871 -0.911 -2.102 1.00 41.12 C ATOM 1022 O LYS A 63 -13.446 -1.995 -1.703 1.00 53.42 O ATOM 1023 CB LYS A 63 -13.720 -1.004 -4.601 1.00 72.42 C ATOM 1024 CG LYS A 63 -14.403 -0.991 -5.969 1.00 23.10 C ATOM 1025 CD LYS A 63 -15.472 -2.076 -6.095 1.00 2.25 C ATOM 1026 CE LYS A 63 -15.953 -2.237 -7.535 1.00 71.42 C ATOM 1027 NZ LYS A 63 -16.482 -0.969 -8.102 1.00 72.11 N ATOM 0 H LYS A 63 -14.945 1.144 -4.089 1.00 2.11 H new ATOM 0 HA LYS A 63 -15.411 -1.628 -3.413 1.00 11.41 H new ATOM 0 HB2 LYS A 63 -12.974 -0.210 -4.575 1.00 72.42 H new ATOM 0 HB3 LYS A 63 -13.186 -1.947 -4.485 1.00 72.42 H new ATOM 0 HG2 LYS A 63 -14.858 -0.015 -6.136 1.00 23.10 H new ATOM 0 HG3 LYS A 63 -13.653 -1.131 -6.748 1.00 23.10 H new ATOM 0 HD2 LYS A 63 -15.070 -3.024 -5.738 1.00 2.25 H new ATOM 0 HD3 LYS A 63 -16.319 -1.827 -5.455 1.00 2.25 H new ATOM 0 HE2 LYS A 63 -15.128 -2.592 -8.153 1.00 71.42 H new ATOM 0 HE3 LYS A 63 -16.730 -3.000 -7.572 1.00 71.42 H new ATOM 0 HZ1 LYS A 63 -16.796 -1.130 -9.080 1.00 72.11 H new ATOM 0 HZ2 LYS A 63 -17.287 -0.642 -7.530 1.00 72.11 H new ATOM 0 HZ3 LYS A 63 -15.734 -0.246 -8.093 1.00 72.11 H new ATOM 1041 N ARG A 64 -13.668 0.238 -1.447 1.00 2.34 N ATOM 1042 CA ARG A 64 -12.916 0.301 -0.183 1.00 1.53 C ATOM 1043 C ARG A 64 -11.456 -0.156 -0.366 1.00 54.22 C ATOM 1044 O ARG A 64 -10.822 -0.646 0.571 1.00 24.01 O ATOM 1045 CB ARG A 64 -13.618 -0.554 0.886 1.00 20.34 C ATOM 1046 CG ARG A 64 -15.042 -0.099 1.186 1.00 62.21 C ATOM 1047 CD ARG A 64 -15.771 -1.080 2.093 1.00 4.04 C ATOM 1048 NE ARG A 64 -17.102 -0.597 2.457 1.00 65.13 N ATOM 1049 CZ ARG A 64 -18.219 -1.167 2.097 1.00 62.32 C ATOM 1050 NH1 ARG A 64 -18.218 -2.208 1.327 1.00 70.05 N ATOM 1051 NH2 ARG A 64 -19.344 -0.683 2.503 1.00 32.13 N ATOM 0 H ARG A 64 -14.014 1.141 -1.771 1.00 2.34 H new ATOM 0 HA ARG A 64 -12.893 1.340 0.145 1.00 1.53 H new ATOM 0 HB2 ARG A 64 -13.638 -1.592 0.555 1.00 20.34 H new ATOM 0 HB3 ARG A 64 -13.034 -0.524 1.806 1.00 20.34 H new ATOM 0 HG2 ARG A 64 -15.018 0.883 1.658 1.00 62.21 H new ATOM 0 HG3 ARG A 64 -15.593 0.010 0.252 1.00 62.21 H new ATOM 0 HD2 ARG A 64 -15.859 -2.043 1.590 1.00 4.04 H new ATOM 0 HD3 ARG A 64 -15.184 -1.244 2.997 1.00 4.04 H new ATOM 0 HE ARG A 64 -17.161 0.243 3.032 1.00 65.13 H new ATOM 0 HH11 ARG A 64 -17.335 -2.594 0.993 1.00 70.05 H new ATOM 0 HH12 ARG A 64 -19.100 -2.642 1.055 1.00 70.05 H new ATOM 0 HH21 ARG A 64 -19.358 0.142 3.103 1.00 32.13 H new ATOM 0 HH22 ARG A 64 -20.220 -1.125 2.224 1.00 32.13 H new ATOM 1065 N GLU A 65 -10.922 0.042 -1.572 1.00 74.11 N ATOM 1066 CA GLU A 65 -9.549 -0.362 -1.900 1.00 33.11 C ATOM 1067 C GLU A 65 -8.732 0.815 -2.458 1.00 42.12 C ATOM 1068 O GLU A 65 -9.153 1.483 -3.404 1.00 21.13 O ATOM 1069 CB GLU A 65 -9.563 -1.507 -2.929 1.00 34.31 C ATOM 1070 CG GLU A 65 -10.162 -2.811 -2.408 1.00 34.41 C ATOM 1071 CD GLU A 65 -10.160 -3.919 -3.453 1.00 62.34 C ATOM 1072 OE1 GLU A 65 -9.084 -4.495 -3.719 1.00 2.43 O ATOM 1073 OE2 GLU A 65 -11.233 -4.216 -4.022 1.00 30.43 O ATOM 0 H GLU A 65 -11.422 0.483 -2.344 1.00 74.11 H new ATOM 0 HA GLU A 65 -9.078 -0.701 -0.978 1.00 33.11 H new ATOM 0 HB2 GLU A 65 -10.127 -1.186 -3.805 1.00 34.31 H new ATOM 0 HB3 GLU A 65 -8.542 -1.696 -3.259 1.00 34.31 H new ATOM 0 HG2 GLU A 65 -9.600 -3.141 -1.534 1.00 34.41 H new ATOM 0 HG3 GLU A 65 -11.185 -2.630 -2.079 1.00 34.41 H new ATOM 1080 N ILE A 66 -7.573 1.076 -1.858 1.00 63.23 N ATOM 1081 CA ILE A 66 -6.629 2.064 -2.391 1.00 61.44 C ATOM 1082 C ILE A 66 -5.404 1.355 -2.988 1.00 4.21 C ATOM 1083 O ILE A 66 -4.739 0.573 -2.307 1.00 71.11 O ATOM 1084 CB ILE A 66 -6.170 3.066 -1.299 1.00 23.54 C ATOM 1085 CG1 ILE A 66 -7.386 3.788 -0.692 1.00 43.31 C ATOM 1086 CG2 ILE A 66 -5.181 4.075 -1.881 1.00 43.02 C ATOM 1087 CD1 ILE A 66 -7.031 4.781 0.399 1.00 22.10 C ATOM 0 H ILE A 66 -7.262 0.618 -1.001 1.00 63.23 H new ATOM 0 HA ILE A 66 -7.145 2.626 -3.170 1.00 61.44 H new ATOM 0 HB ILE A 66 -5.667 2.511 -0.507 1.00 23.54 H new ATOM 0 HG12 ILE A 66 -7.919 4.311 -1.486 1.00 43.31 H new ATOM 0 HG13 ILE A 66 -8.071 3.045 -0.284 1.00 43.31 H new ATOM 0 HG21 ILE A 66 -4.869 4.770 -1.101 1.00 43.02 H new ATOM 0 HG22 ILE A 66 -4.308 3.548 -2.267 1.00 43.02 H new ATOM 0 HG23 ILE A 66 -5.659 4.628 -2.690 1.00 43.02 H new ATOM 0 HD11 ILE A 66 -7.941 5.248 0.776 1.00 22.10 H new ATOM 0 HD12 ILE A 66 -6.525 4.262 1.213 1.00 22.10 H new ATOM 0 HD13 ILE A 66 -6.371 5.548 -0.007 1.00 22.10 H new ATOM 1099 N ASP A 67 -5.107 1.638 -4.252 1.00 43.42 N ATOM 1100 CA ASP A 67 -4.046 0.930 -4.974 1.00 21.22 C ATOM 1101 C ASP A 67 -2.666 1.555 -4.724 1.00 3.14 C ATOM 1102 O ASP A 67 -2.468 2.752 -4.931 1.00 60.41 O ATOM 1103 CB ASP A 67 -4.353 0.927 -6.476 1.00 15.20 C ATOM 1104 CG ASP A 67 -5.729 0.363 -6.775 1.00 60.53 C ATOM 1105 OD1 ASP A 67 -6.046 -0.724 -6.259 1.00 60.41 O ATOM 1106 OD2 ASP A 67 -6.488 0.986 -7.549 1.00 52.53 O ATOM 0 H ASP A 67 -5.584 2.353 -4.801 1.00 43.42 H new ATOM 0 HA ASP A 67 -4.017 -0.094 -4.600 1.00 21.22 H new ATOM 0 HB2 ASP A 67 -4.287 1.944 -6.861 1.00 15.20 H new ATOM 0 HB3 ASP A 67 -3.599 0.339 -6.999 1.00 15.20 H new ATOM 1111 N PHE A 68 -1.716 0.738 -4.272 1.00 44.52 N ATOM 1112 CA PHE A 68 -0.346 1.204 -4.044 1.00 74.34 C ATOM 1113 C PHE A 68 0.643 0.599 -5.044 1.00 20.31 C ATOM 1114 O PHE A 68 0.462 -0.519 -5.529 1.00 32.24 O ATOM 1115 CB PHE A 68 0.116 0.869 -2.621 1.00 13.34 C ATOM 1116 CG PHE A 68 -0.639 1.596 -1.540 1.00 20.23 C ATOM 1117 CD1 PHE A 68 -1.144 2.874 -1.757 1.00 34.34 C ATOM 1118 CD2 PHE A 68 -0.830 1.009 -0.300 1.00 10.24 C ATOM 1119 CE1 PHE A 68 -1.828 3.540 -0.761 1.00 50.32 C ATOM 1120 CE2 PHE A 68 -1.512 1.674 0.697 1.00 54.34 C ATOM 1121 CZ PHE A 68 -2.010 2.939 0.468 1.00 23.34 C ATOM 0 H PHE A 68 -1.867 -0.247 -4.056 1.00 44.52 H new ATOM 0 HA PHE A 68 -0.360 2.285 -4.182 1.00 74.34 H new ATOM 0 HB2 PHE A 68 0.014 -0.204 -2.461 1.00 13.34 H new ATOM 0 HB3 PHE A 68 1.176 1.105 -2.530 1.00 13.34 H new ATOM 0 HD1 PHE A 68 -0.999 3.350 -2.716 1.00 34.34 H new ATOM 0 HD2 PHE A 68 -0.440 0.019 -0.112 1.00 10.24 H new ATOM 0 HE1 PHE A 68 -2.220 4.530 -0.943 1.00 50.32 H new ATOM 0 HE2 PHE A 68 -1.656 1.203 1.658 1.00 54.34 H new ATOM 0 HZ PHE A 68 -2.542 3.460 1.250 1.00 23.34 H new ATOM 1131 N LYS A 69 1.686 1.366 -5.338 1.00 53.14 N ATOM 1132 CA LYS A 69 2.810 0.910 -6.161 1.00 0.34 C ATOM 1133 C LYS A 69 4.131 1.316 -5.493 1.00 64.13 C ATOM 1134 O LYS A 69 4.196 2.350 -4.827 1.00 5.11 O ATOM 1135 CB LYS A 69 2.728 1.537 -7.562 1.00 12.33 C ATOM 1136 CG LYS A 69 3.841 1.093 -8.511 1.00 43.30 C ATOM 1137 CD LYS A 69 3.863 1.919 -9.795 1.00 12.43 C ATOM 1138 CE LYS A 69 4.110 3.394 -9.505 1.00 15.42 C ATOM 1139 NZ LYS A 69 4.208 4.205 -10.746 1.00 41.23 N ATOM 0 H LYS A 69 1.780 2.328 -5.012 1.00 53.14 H new ATOM 0 HA LYS A 69 2.765 -0.175 -6.255 1.00 0.34 H new ATOM 0 HB2 LYS A 69 1.765 1.284 -8.005 1.00 12.33 H new ATOM 0 HB3 LYS A 69 2.759 2.622 -7.465 1.00 12.33 H new ATOM 0 HG2 LYS A 69 4.803 1.181 -8.007 1.00 43.30 H new ATOM 0 HG3 LYS A 69 3.707 0.040 -8.760 1.00 43.30 H new ATOM 0 HD2 LYS A 69 4.642 1.542 -10.458 1.00 12.43 H new ATOM 0 HD3 LYS A 69 2.914 1.804 -10.319 1.00 12.43 H new ATOM 0 HE2 LYS A 69 3.301 3.780 -8.884 1.00 15.42 H new ATOM 0 HE3 LYS A 69 5.031 3.500 -8.931 1.00 15.42 H new ATOM 0 HZ1 LYS A 69 3.841 5.161 -10.566 1.00 41.23 H new ATOM 0 HZ2 LYS A 69 5.203 4.266 -11.043 1.00 41.23 H new ATOM 0 HZ3 LYS A 69 3.648 3.756 -11.499 1.00 41.23 H new ATOM 1153 N TYR A 70 5.186 0.530 -5.686 1.00 71.52 N ATOM 1154 CA TYR A 70 6.490 0.865 -5.110 1.00 61.33 C ATOM 1155 C TYR A 70 7.254 1.791 -6.059 1.00 23.41 C ATOM 1156 O TYR A 70 7.559 1.426 -7.192 1.00 54.14 O ATOM 1157 CB TYR A 70 7.323 -0.399 -4.837 1.00 55.53 C ATOM 1158 CG TYR A 70 8.658 -0.105 -4.160 1.00 74.42 C ATOM 1159 CD1 TYR A 70 9.771 0.296 -4.900 1.00 74.13 C ATOM 1160 CD2 TYR A 70 8.800 -0.214 -2.781 1.00 63.13 C ATOM 1161 CE1 TYR A 70 10.975 0.581 -4.284 1.00 51.52 C ATOM 1162 CE2 TYR A 70 10.005 0.066 -2.162 1.00 3.53 C ATOM 1163 CZ TYR A 70 11.088 0.464 -2.918 1.00 14.22 C ATOM 1164 OH TYR A 70 12.286 0.753 -2.305 1.00 1.04 O ATOM 0 H TYR A 70 5.168 -0.333 -6.229 1.00 71.52 H new ATOM 0 HA TYR A 70 6.319 1.371 -4.160 1.00 61.33 H new ATOM 0 HB2 TYR A 70 6.746 -1.078 -4.209 1.00 55.53 H new ATOM 0 HB3 TYR A 70 7.507 -0.916 -5.779 1.00 55.53 H new ATOM 0 HD1 TYR A 70 9.690 0.385 -5.973 1.00 74.13 H new ATOM 0 HD2 TYR A 70 7.955 -0.522 -2.183 1.00 63.13 H new ATOM 0 HE1 TYR A 70 11.824 0.894 -4.873 1.00 51.52 H new ATOM 0 HE2 TYR A 70 10.098 -0.027 -1.090 1.00 3.53 H new ATOM 0 HH TYR A 70 12.199 0.622 -1.338 1.00 1.04 H new ATOM 1174 N ILE A 71 7.560 2.989 -5.582 1.00 11.15 N ATOM 1175 CA ILE A 71 8.227 3.996 -6.402 1.00 21.30 C ATOM 1176 C ILE A 71 9.684 4.222 -5.967 1.00 65.32 C ATOM 1177 O ILE A 71 9.972 4.434 -4.782 1.00 40.24 O ATOM 1178 CB ILE A 71 7.464 5.346 -6.351 1.00 11.44 C ATOM 1179 CG1 ILE A 71 7.201 5.761 -4.892 1.00 15.33 C ATOM 1180 CG2 ILE A 71 6.158 5.249 -7.137 1.00 3.11 C ATOM 1181 CD1 ILE A 71 6.415 7.046 -4.743 1.00 5.02 C ATOM 0 H ILE A 71 7.357 3.290 -4.629 1.00 11.15 H new ATOM 0 HA ILE A 71 8.228 3.615 -7.423 1.00 21.30 H new ATOM 0 HB ILE A 71 8.082 6.115 -6.814 1.00 11.44 H new ATOM 0 HG12 ILE A 71 6.661 4.958 -4.390 1.00 15.33 H new ATOM 0 HG13 ILE A 71 8.157 5.872 -4.380 1.00 15.33 H new ATOM 0 HG21 ILE A 71 5.634 6.204 -7.092 1.00 3.11 H new ATOM 0 HG22 ILE A 71 6.376 5.004 -8.176 1.00 3.11 H new ATOM 0 HG23 ILE A 71 5.530 4.470 -6.705 1.00 3.11 H new ATOM 0 HD11 ILE A 71 6.274 7.266 -3.685 1.00 5.02 H new ATOM 0 HD12 ILE A 71 6.961 7.863 -5.214 1.00 5.02 H new ATOM 0 HD13 ILE A 71 5.443 6.936 -5.223 1.00 5.02 H new