USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 435 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 32 ASN : amide:sc= 0.953 K(o=2.1,f=-2.5) USER MOD Set 1.2: A 35 LYS NZ :NH3+ 178:sc= 1.12 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0403) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= 1.22 (180deg=1.22) USER MOD Single : A 18 ASN : amide:sc= 0.865 K(o=0.86,f=-0.051) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.22) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -64:sc= 1.3 USER MOD Single : A 28 GLN : amide:sc= 0.794 K(o=0.79,f=-0.018) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 178:sc= 0 (180deg=-0.0144) USER MOD Single : A 57 SER OG : rot 180:sc= 0.122 USER MOD Single : A 58 SER OG : rot -12:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -10.330 11.491 -4.261 1.00 0.00 N ATOM 35 CA LEU A 3 -9.392 12.102 -5.204 1.00 0.00 C ATOM 36 C LEU A 3 -9.746 11.831 -6.672 1.00 0.00 C ATOM 37 O LEU A 3 -10.706 11.122 -6.983 1.00 0.00 O ATOM 38 CB LEU A 3 -7.974 11.605 -4.858 1.00 0.00 C ATOM 39 CG LEU A 3 -7.418 12.192 -3.550 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.949 11.802 -3.396 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.466 13.715 -3.544 1.00 0.00 C ATOM 0 HA LEU A 3 -9.449 13.186 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.988 10.518 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.300 11.859 -5.676 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.034 11.799 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.557 12.219 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.862 10.716 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.379 12.192 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.064 14.088 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.870 14.101 -4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.498 14.047 -3.655 1.00 0.00 H new ATOM 52 N THR A 4 -8.963 12.421 -7.579 1.00 0.00 N ATOM 53 CA THR A 4 -9.078 12.209 -9.031 1.00 0.00 C ATOM 54 C THR A 4 -8.626 10.803 -9.448 1.00 0.00 C ATOM 55 O THR A 4 -8.297 9.953 -8.614 1.00 0.00 O ATOM 56 CB THR A 4 -8.299 13.278 -9.820 1.00 0.00 C ATOM 57 OG1 THR A 4 -6.914 13.147 -9.587 1.00 0.00 O ATOM 58 CG2 THR A 4 -8.722 14.705 -9.469 1.00 0.00 C ATOM 0 H THR A 4 -8.219 13.070 -7.325 1.00 0.00 H new ATOM 0 HA THR A 4 -10.136 12.303 -9.275 1.00 0.00 H new ATOM 0 HB THR A 4 -8.530 13.108 -10.872 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.431 13.831 -10.096 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.138 15.413 -10.057 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.781 14.836 -9.691 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.549 14.885 -8.408 1.00 0.00 H new ATOM 66 N GLN A 5 -8.571 10.567 -10.759 1.00 0.00 N ATOM 67 CA GLN A 5 -7.995 9.395 -11.423 1.00 0.00 C ATOM 68 C GLN A 5 -6.643 8.905 -10.870 1.00 0.00 C ATOM 69 O GLN A 5 -6.344 7.715 -10.990 1.00 0.00 O ATOM 70 CB GLN A 5 -7.900 9.699 -12.924 1.00 0.00 C ATOM 71 CG GLN A 5 -6.909 10.824 -13.282 1.00 0.00 C ATOM 72 CD GLN A 5 -7.068 11.271 -14.734 1.00 0.00 C ATOM 73 OE1 GLN A 5 -6.246 10.992 -15.600 1.00 0.00 O ATOM 74 NE2 GLN A 5 -8.127 11.989 -15.056 1.00 0.00 N ATOM 0 H GLN A 5 -8.953 11.233 -11.431 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.666 8.560 -11.219 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.605 8.790 -13.449 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.889 9.972 -13.291 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.068 11.675 -12.619 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.889 10.478 -13.117 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.817 12.227 -14.344 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.255 12.306 -16.017 1.00 0.00 H new ATOM 81 N GLY A 6 -5.836 9.775 -10.246 1.00 0.00 N ATOM 82 CA GLY A 6 -4.640 9.348 -9.529 1.00 0.00 C ATOM 83 C GLY A 6 -3.927 10.434 -8.727 1.00 0.00 C ATOM 84 O GLY A 6 -2.700 10.433 -8.729 1.00 0.00 O ATOM 0 H GLY A 6 -5.997 10.782 -10.227 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.915 8.541 -8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.936 8.932 -10.249 1.00 0.00 H new ATOM 88 N GLU A 7 -4.619 11.342 -8.025 1.00 0.00 N ATOM 89 CA GLU A 7 -3.996 12.438 -7.280 1.00 0.00 C ATOM 90 C GLU A 7 -3.109 11.978 -6.107 1.00 0.00 C ATOM 91 O GLU A 7 -2.330 12.760 -5.578 1.00 0.00 O ATOM 92 CB GLU A 7 -5.082 13.434 -6.827 1.00 0.00 C ATOM 93 CG GLU A 7 -4.887 14.753 -7.592 1.00 0.00 C ATOM 94 CD GLU A 7 -5.941 15.847 -7.326 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.637 15.825 -6.284 1.00 0.00 O ATOM 96 OE2 GLU A 7 -6.055 16.775 -8.165 1.00 0.00 O ATOM 0 H GLU A 7 -5.637 11.334 -7.960 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.306 12.937 -7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.074 13.027 -7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.013 13.606 -5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.904 15.154 -7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.880 14.534 -8.660 1.00 0.00 H new ATOM 101 N LEU A 8 -3.152 10.696 -5.749 1.00 0.00 N ATOM 102 CA LEU A 8 -2.177 10.039 -4.863 1.00 0.00 C ATOM 103 C LEU A 8 -1.306 8.977 -5.576 1.00 0.00 C ATOM 104 O LEU A 8 -0.245 8.606 -5.073 1.00 0.00 O ATOM 105 CB LEU A 8 -2.931 9.526 -3.624 1.00 0.00 C ATOM 106 CG LEU A 8 -3.805 8.276 -3.866 1.00 0.00 C ATOM 107 CD1 LEU A 8 -3.100 7.029 -3.325 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.159 8.376 -3.163 1.00 0.00 C ATOM 0 H LEU A 8 -3.884 10.063 -6.073 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.431 10.764 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.205 9.298 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.566 10.327 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.961 8.209 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.724 6.153 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.145 6.901 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.928 7.144 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.739 7.475 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.005 8.479 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.700 9.245 -3.537 1.00 0.00 H new ATOM 119 N MET A 9 -1.689 8.527 -6.774 1.00 0.00 N ATOM 120 CA MET A 9 -0.959 7.531 -7.573 1.00 0.00 C ATOM 121 C MET A 9 0.320 8.136 -8.141 1.00 0.00 C ATOM 122 O MET A 9 1.423 7.691 -7.831 1.00 0.00 O ATOM 123 CB MET A 9 -1.878 6.937 -8.671 1.00 0.00 C ATOM 124 CG MET A 9 -1.191 6.577 -9.992 1.00 0.00 C ATOM 125 SD MET A 9 -1.985 5.259 -10.957 1.00 0.00 S ATOM 126 CE MET A 9 -3.607 6.005 -11.273 1.00 0.00 C ATOM 0 H MET A 9 -2.540 8.854 -7.231 1.00 0.00 H new ATOM 0 HA MET A 9 -0.659 6.704 -6.929 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.353 6.040 -8.274 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.673 7.653 -8.880 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.139 7.474 -10.610 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.165 6.278 -9.777 1.00 0.00 H new ATOM 0 HE1 MET A 9 -4.216 5.316 -11.858 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.103 6.213 -10.325 1.00 0.00 H new ATOM 0 HE3 MET A 9 -3.478 6.935 -11.826 1.00 0.00 H new ATOM 134 N LYS A 10 0.185 9.169 -8.973 1.00 0.00 N ATOM 135 CA LYS A 10 1.299 9.781 -9.717 1.00 0.00 C ATOM 136 C LYS A 10 2.242 10.638 -8.838 1.00 0.00 C ATOM 137 O LYS A 10 3.010 11.451 -9.354 1.00 0.00 O ATOM 138 CB LYS A 10 0.697 10.499 -10.947 1.00 0.00 C ATOM 139 CG LYS A 10 -0.278 11.642 -10.608 1.00 0.00 C ATOM 140 CD LYS A 10 -1.475 11.744 -11.567 1.00 0.00 C ATOM 141 CE LYS A 10 -2.329 12.988 -11.288 1.00 0.00 C ATOM 142 NZ LYS A 10 -1.640 14.247 -11.676 1.00 0.00 N ATOM 0 H LYS A 10 -0.714 9.615 -9.156 1.00 0.00 H new ATOM 0 HA LYS A 10 1.985 9.011 -10.072 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.511 10.900 -11.551 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.176 9.765 -11.561 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.649 11.501 -9.593 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.266 12.586 -10.620 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.115 11.775 -12.595 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.093 10.851 -11.472 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.270 12.909 -11.833 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.577 13.025 -10.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.308 15.042 -11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.839 14.416 -11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.291 14.165 -12.652 1.00 0.00 H new ATOM 152 N LEU A 11 2.162 10.462 -7.512 1.00 0.00 N ATOM 153 CA LEU A 11 2.785 11.226 -6.429 1.00 0.00 C ATOM 154 C LEU A 11 3.614 10.312 -5.521 1.00 0.00 C ATOM 155 O LEU A 11 4.755 10.649 -5.200 1.00 0.00 O ATOM 156 CB LEU A 11 1.706 11.923 -5.569 1.00 0.00 C ATOM 157 CG LEU A 11 0.915 13.084 -6.199 1.00 0.00 C ATOM 158 CD1 LEU A 11 1.841 14.205 -6.660 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.065 12.644 -7.387 1.00 0.00 C ATOM 0 H LEU A 11 1.599 9.700 -7.135 1.00 0.00 H new ATOM 0 HA LEU A 11 3.435 11.972 -6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.990 11.164 -5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.190 12.299 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 11 0.254 13.445 -5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.249 15.008 -7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.399 14.591 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.538 13.819 -7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.470 13.504 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.709 12.223 -8.159 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.652 11.891 -7.062 1.00 0.00 H new ATOM 170 N ILE A 12 3.077 9.151 -5.114 1.00 0.00 N ATOM 171 CA ILE A 12 3.787 8.262 -4.175 1.00 0.00 C ATOM 172 C ILE A 12 5.089 7.717 -4.768 1.00 0.00 C ATOM 173 O ILE A 12 6.091 7.600 -4.064 1.00 0.00 O ATOM 174 CB ILE A 12 2.902 7.107 -3.666 1.00 0.00 C ATOM 175 CG1 ILE A 12 2.286 6.225 -4.779 1.00 0.00 C ATOM 176 CG2 ILE A 12 1.816 7.653 -2.733 1.00 0.00 C ATOM 177 CD1 ILE A 12 2.846 4.798 -4.722 1.00 0.00 C ATOM 0 H ILE A 12 2.165 8.807 -5.415 1.00 0.00 H new ATOM 0 HA ILE A 12 4.041 8.884 -3.317 1.00 0.00 H new ATOM 0 HB ILE A 12 3.566 6.439 -3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.202 6.199 -4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.497 6.664 -5.754 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.195 6.831 -2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.283 8.149 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.197 8.368 -3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.397 4.199 -5.514 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.927 4.826 -4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.612 4.354 -3.755 1.00 0.00 H new ATOM 188 N LYS A 13 5.115 7.462 -6.081 1.00 0.00 N ATOM 189 CA LYS A 13 6.341 7.022 -6.781 1.00 0.00 C ATOM 190 C LYS A 13 7.286 8.178 -7.122 1.00 0.00 C ATOM 191 O LYS A 13 8.464 7.978 -7.392 1.00 0.00 O ATOM 192 CB LYS A 13 5.962 6.176 -8.010 1.00 0.00 C ATOM 193 CG LYS A 13 5.101 6.875 -9.079 1.00 0.00 C ATOM 194 CD LYS A 13 5.903 7.661 -10.127 1.00 0.00 C ATOM 195 CE LYS A 13 4.953 8.298 -11.146 1.00 0.00 C ATOM 196 NZ LYS A 13 5.699 9.072 -12.168 1.00 0.00 N ATOM 0 H LYS A 13 4.300 7.551 -6.688 1.00 0.00 H new ATOM 0 HA LYS A 13 6.913 6.394 -6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.881 5.829 -8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.427 5.291 -7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.497 6.124 -9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.410 7.556 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.496 8.434 -9.638 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.602 6.997 -10.635 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.365 7.521 -11.633 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.251 8.954 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.053 9.348 -12.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.103 9.925 -11.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.466 8.486 -12.556 1.00 0.00 H new ATOM 206 N GLU A 14 6.780 9.402 -7.089 1.00 0.00 N ATOM 207 CA GLU A 14 7.413 10.622 -7.592 1.00 0.00 C ATOM 208 C GLU A 14 8.165 11.372 -6.485 1.00 0.00 C ATOM 209 O GLU A 14 9.042 12.187 -6.783 1.00 0.00 O ATOM 210 CB GLU A 14 6.324 11.497 -8.240 1.00 0.00 C ATOM 211 CG GLU A 14 6.846 12.619 -9.152 1.00 0.00 C ATOM 212 CD GLU A 14 7.663 12.093 -10.349 1.00 0.00 C ATOM 213 OE1 GLU A 14 7.186 11.176 -11.061 1.00 0.00 O ATOM 214 OE2 GLU A 14 8.785 12.601 -10.596 1.00 0.00 O ATOM 0 H GLU A 14 5.861 9.586 -6.687 1.00 0.00 H new ATOM 0 HA GLU A 14 8.165 10.363 -8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.663 10.855 -8.822 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.721 11.944 -7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.002 13.200 -9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.466 13.297 -8.566 1.00 0.00 H new ATOM 219 N ILE A 15 7.890 11.050 -5.214 1.00 0.00 N ATOM 220 CA ILE A 15 8.661 11.501 -4.059 1.00 0.00 C ATOM 221 C ILE A 15 9.536 10.354 -3.554 1.00 0.00 C ATOM 222 O ILE A 15 10.730 10.554 -3.357 1.00 0.00 O ATOM 223 CB ILE A 15 7.750 12.103 -2.963 1.00 0.00 C ATOM 224 CG1 ILE A 15 6.835 11.064 -2.273 1.00 0.00 C ATOM 225 CG2 ILE A 15 6.913 13.263 -3.532 1.00 0.00 C ATOM 226 CD1 ILE A 15 7.389 10.654 -0.905 1.00 0.00 C ATOM 0 H ILE A 15 7.103 10.453 -4.959 1.00 0.00 H new ATOM 0 HA ILE A 15 9.322 12.314 -4.360 1.00 0.00 H new ATOM 0 HB ILE A 15 8.419 12.479 -2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.835 11.481 -2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.739 10.183 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.279 13.674 -2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.578 14.042 -3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.289 12.896 -4.347 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.723 9.923 -0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.379 10.215 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.460 11.532 -0.263 1.00 0.00 H new ATOM 237 N VAL A 16 9.010 9.129 -3.404 1.00 0.00 N ATOM 238 CA VAL A 16 9.798 8.048 -2.802 1.00 0.00 C ATOM 239 C VAL A 16 10.958 7.630 -3.711 1.00 0.00 C ATOM 240 O VAL A 16 12.041 7.312 -3.210 1.00 0.00 O ATOM 241 CB VAL A 16 8.946 6.823 -2.418 1.00 0.00 C ATOM 242 CG1 VAL A 16 9.829 5.781 -1.725 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.835 7.176 -1.423 1.00 0.00 C ATOM 0 H VAL A 16 8.065 8.867 -3.684 1.00 0.00 H new ATOM 0 HA VAL A 16 10.206 8.454 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 16 8.507 6.449 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.225 4.915 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.625 5.471 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.266 6.215 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.263 6.280 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.277 7.578 -0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.174 7.921 -1.865 1.00 0.00 H new ATOM 253 N GLU A 17 10.797 7.709 -5.041 1.00 0.00 N ATOM 254 CA GLU A 17 11.922 7.400 -5.952 1.00 0.00 C ATOM 255 C GLU A 17 12.908 8.576 -6.095 1.00 0.00 C ATOM 256 O GLU A 17 13.918 8.467 -6.794 1.00 0.00 O ATOM 257 CB GLU A 17 11.438 6.936 -7.337 1.00 0.00 C ATOM 258 CG GLU A 17 10.558 5.677 -7.316 1.00 0.00 C ATOM 259 CD GLU A 17 11.329 4.441 -6.843 1.00 0.00 C ATOM 260 OE1 GLU A 17 12.170 3.903 -7.602 1.00 0.00 O ATOM 261 OE2 GLU A 17 11.100 3.978 -5.702 1.00 0.00 O ATOM 0 H GLU A 17 9.928 7.975 -5.504 1.00 0.00 H new ATOM 0 HA GLU A 17 12.458 6.573 -5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.878 7.747 -7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.307 6.746 -7.967 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.704 5.844 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.162 5.496 -8.315 1.00 0.00 H new ATOM 266 N ASN A 18 12.632 9.698 -5.423 1.00 0.00 N ATOM 267 CA ASN A 18 13.392 10.940 -5.476 1.00 0.00 C ATOM 268 C ASN A 18 14.156 11.238 -4.168 1.00 0.00 C ATOM 269 O ASN A 18 15.039 12.101 -4.172 1.00 0.00 O ATOM 270 CB ASN A 18 12.409 12.077 -5.827 1.00 0.00 C ATOM 271 CG ASN A 18 12.638 12.653 -7.215 1.00 0.00 C ATOM 272 OD1 ASN A 18 13.746 13.002 -7.607 1.00 0.00 O ATOM 273 ND2 ASN A 18 11.595 12.790 -8.000 1.00 0.00 N ATOM 0 H ASN A 18 11.830 9.762 -4.796 1.00 0.00 H new ATOM 0 HA ASN A 18 14.164 10.850 -6.240 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.388 11.701 -5.760 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.505 12.873 -5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.708 13.186 -8.933 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.672 12.501 -7.677 1.00 0.00 H new ATOM 279 N GLU A 19 13.842 10.553 -3.061 1.00 0.00 N ATOM 280 CA GLU A 19 14.350 10.906 -1.728 1.00 0.00 C ATOM 281 C GLU A 19 15.509 10.004 -1.287 1.00 0.00 C ATOM 282 O GLU A 19 16.661 10.246 -1.657 1.00 0.00 O ATOM 283 CB GLU A 19 13.181 10.918 -0.727 1.00 0.00 C ATOM 284 CG GLU A 19 12.194 12.067 -0.953 1.00 0.00 C ATOM 285 CD GLU A 19 12.773 13.422 -0.507 1.00 0.00 C ATOM 286 OE1 GLU A 19 12.825 13.680 0.721 1.00 0.00 O ATOM 287 OE2 GLU A 19 13.174 14.239 -1.371 1.00 0.00 O ATOM 0 H GLU A 19 13.228 9.738 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 19 14.777 11.908 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.645 9.971 -0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.580 10.987 0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.930 12.116 -2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.274 11.868 -0.404 1.00 0.00 H new ATOM 292 N ASP A 20 15.226 8.963 -0.504 1.00 0.00 N ATOM 293 CA ASP A 20 16.207 8.005 -0.001 1.00 0.00 C ATOM 294 C ASP A 20 15.657 6.583 -0.120 1.00 0.00 C ATOM 295 O ASP A 20 15.092 6.021 0.818 1.00 0.00 O ATOM 296 CB ASP A 20 16.628 8.335 1.442 1.00 0.00 C ATOM 297 CG ASP A 20 17.652 9.473 1.514 1.00 0.00 C ATOM 298 OD1 ASP A 20 18.844 9.211 1.212 1.00 0.00 O ATOM 299 OD2 ASP A 20 17.294 10.608 1.909 1.00 0.00 O ATOM 0 H ASP A 20 14.276 8.758 -0.193 1.00 0.00 H new ATOM 0 HA ASP A 20 17.106 8.076 -0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.745 8.609 2.020 1.00 0.00 H new ATOM 0 HB3 ASP A 20 17.049 7.443 1.906 1.00 0.00 H new ATOM 303 N LYS A 21 15.888 5.957 -1.274 1.00 0.00 N ATOM 304 CA LYS A 21 15.712 4.504 -1.463 1.00 0.00 C ATOM 305 C LYS A 21 16.590 3.668 -0.506 1.00 0.00 C ATOM 306 O LYS A 21 16.265 2.518 -0.210 1.00 0.00 O ATOM 307 CB LYS A 21 15.951 4.153 -2.942 1.00 0.00 C ATOM 308 CG LYS A 21 14.886 4.799 -3.852 1.00 0.00 C ATOM 309 CD LYS A 21 15.065 4.476 -5.341 1.00 0.00 C ATOM 310 CE LYS A 21 14.879 2.983 -5.636 1.00 0.00 C ATOM 311 NZ LYS A 21 14.674 2.741 -7.086 1.00 0.00 N ATOM 0 H LYS A 21 16.205 6.441 -2.114 1.00 0.00 H new ATOM 0 HA LYS A 21 14.686 4.242 -1.203 1.00 0.00 H new ATOM 0 HB2 LYS A 21 16.943 4.492 -3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 21 15.932 3.071 -3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.899 4.465 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.915 5.880 -3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.347 5.052 -5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.059 4.787 -5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.754 2.431 -5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.023 2.604 -5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.670 1.717 -7.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.764 3.150 -7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.444 3.186 -7.625 1.00 0.00 H new ATOM 321 N ARG A 22 17.657 4.274 0.038 1.00 0.00 N ATOM 322 CA ARG A 22 18.535 3.803 1.127 1.00 0.00 C ATOM 323 C ARG A 22 17.877 3.814 2.517 1.00 0.00 C ATOM 324 O ARG A 22 18.337 3.102 3.414 1.00 0.00 O ATOM 325 CB ARG A 22 19.782 4.709 1.191 1.00 0.00 C ATOM 326 CG ARG A 22 20.669 4.701 -0.068 1.00 0.00 C ATOM 327 CD ARG A 22 20.221 5.581 -1.246 1.00 0.00 C ATOM 328 NE ARG A 22 20.106 7.015 -0.898 1.00 0.00 N ATOM 329 CZ ARG A 22 20.281 8.049 -1.704 1.00 0.00 C ATOM 330 NH1 ARG A 22 20.612 7.919 -2.960 1.00 0.00 N ATOM 331 NH2 ARG A 22 20.116 9.255 -1.255 1.00 0.00 N ATOM 0 H ARG A 22 17.956 5.188 -0.302 1.00 0.00 H new ATOM 0 HA ARG A 22 18.778 2.767 0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 22 19.458 5.732 1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.388 4.404 2.044 1.00 0.00 H new ATOM 0 HG2 ARG A 22 21.673 5.011 0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 22 20.743 3.673 -0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 22 20.932 5.469 -2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.257 5.225 -1.610 1.00 0.00 H new ATOM 0 HE ARG A 22 19.865 7.229 0.070 1.00 0.00 H new ATOM 0 HH11 ARG A 22 20.747 6.990 -3.358 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.736 8.747 -3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 22 19.852 9.405 -0.281 1.00 0.00 H new ATOM 0 HH22 ARG A 22 20.251 10.053 -1.876 1.00 0.00 H new ATOM 342 N LYS A 23 16.839 4.639 2.707 1.00 0.00 N ATOM 343 CA LYS A 23 16.121 4.912 3.972 1.00 0.00 C ATOM 344 C LYS A 23 14.635 5.226 3.672 1.00 0.00 C ATOM 345 O LYS A 23 14.224 6.389 3.772 1.00 0.00 O ATOM 346 CB LYS A 23 16.800 6.084 4.724 1.00 0.00 C ATOM 347 CG LYS A 23 18.293 5.880 5.037 1.00 0.00 C ATOM 348 CD LYS A 23 18.884 7.024 5.873 1.00 0.00 C ATOM 349 CE LYS A 23 18.939 8.338 5.078 1.00 0.00 C ATOM 350 NZ LYS A 23 19.577 9.421 5.865 1.00 0.00 N ATOM 0 H LYS A 23 16.447 5.173 1.931 1.00 0.00 H new ATOM 0 HA LYS A 23 16.162 4.031 4.612 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.690 6.990 4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 23 16.268 6.252 5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 23 18.423 4.939 5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.848 5.794 4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 23 18.283 7.167 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.888 6.754 6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.495 8.182 4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.929 8.637 4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.599 10.294 5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 19.032 9.585 6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 20.549 9.144 6.112 1.00 0.00 H new ATOM 360 N PRO A 24 13.832 4.234 3.238 1.00 0.00 N ATOM 361 CA PRO A 24 12.537 4.479 2.605 1.00 0.00 C ATOM 362 C PRO A 24 11.452 4.960 3.585 1.00 0.00 C ATOM 363 O PRO A 24 11.577 4.823 4.806 1.00 0.00 O ATOM 364 CB PRO A 24 12.157 3.139 1.973 1.00 0.00 C ATOM 365 CG PRO A 24 12.785 2.117 2.916 1.00 0.00 C ATOM 366 CD PRO A 24 14.087 2.804 3.322 1.00 0.00 C ATOM 0 HA PRO A 24 12.612 5.288 1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.076 3.016 1.909 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.549 3.046 0.960 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.148 1.913 3.776 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.966 1.164 2.420 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.379 2.519 4.333 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.903 2.514 2.660 1.00 0.00 H new ATOM 371 N TYR A 25 10.351 5.482 3.032 1.00 0.00 N ATOM 372 CA TYR A 25 9.086 5.711 3.742 1.00 0.00 C ATOM 373 C TYR A 25 8.316 4.383 3.949 1.00 0.00 C ATOM 374 O TYR A 25 8.827 3.287 3.687 1.00 0.00 O ATOM 375 CB TYR A 25 8.238 6.762 2.990 1.00 0.00 C ATOM 376 CG TYR A 25 8.901 8.112 2.753 1.00 0.00 C ATOM 377 CD1 TYR A 25 9.791 8.306 1.676 1.00 0.00 C ATOM 378 CD2 TYR A 25 8.590 9.192 3.599 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.380 9.568 1.448 1.00 0.00 C ATOM 380 CE2 TYR A 25 9.189 10.447 3.396 1.00 0.00 C ATOM 381 CZ TYR A 25 10.086 10.641 2.323 1.00 0.00 C ATOM 382 OH TYR A 25 10.646 11.869 2.162 1.00 0.00 O ATOM 0 H TYR A 25 10.314 5.764 2.053 1.00 0.00 H new ATOM 0 HA TYR A 25 9.305 6.106 4.734 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.953 6.345 2.024 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.318 6.925 3.551 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.024 7.481 1.019 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.888 9.056 4.408 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.049 9.714 0.613 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.962 11.266 4.063 1.00 0.00 H new ATOM 0 HH TYR A 25 10.319 12.472 2.862 1.00 0.00 H new ATOM 391 N SER A 26 7.070 4.469 4.414 1.00 0.00 N ATOM 392 CA SER A 26 6.116 3.363 4.582 1.00 0.00 C ATOM 393 C SER A 26 4.715 3.839 4.200 1.00 0.00 C ATOM 394 O SER A 26 4.505 5.043 4.041 1.00 0.00 O ATOM 395 CB SER A 26 6.133 2.872 6.037 1.00 0.00 C ATOM 396 OG SER A 26 5.861 3.931 6.941 1.00 0.00 O ATOM 0 H SER A 26 6.672 5.363 4.702 1.00 0.00 H new ATOM 0 HA SER A 26 6.402 2.535 3.933 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.393 2.082 6.165 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.106 2.437 6.265 1.00 0.00 H new ATOM 0 HG SER A 26 6.575 4.600 6.885 1.00 0.00 H new ATOM 401 N ASP A 27 3.738 2.941 4.067 1.00 0.00 N ATOM 402 CA ASP A 27 2.344 3.303 3.784 1.00 0.00 C ATOM 403 C ASP A 27 1.731 4.304 4.794 1.00 0.00 C ATOM 404 O ASP A 27 0.961 5.175 4.394 1.00 0.00 O ATOM 405 CB ASP A 27 1.479 2.049 3.570 1.00 0.00 C ATOM 406 CG ASP A 27 1.390 1.054 4.745 1.00 0.00 C ATOM 407 OD1 ASP A 27 1.899 1.330 5.857 1.00 0.00 O ATOM 408 OD2 ASP A 27 0.712 0.011 4.574 1.00 0.00 O ATOM 0 H ASP A 27 3.890 1.936 4.153 1.00 0.00 H new ATOM 0 HA ASP A 27 2.355 3.856 2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.468 2.372 3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.865 1.515 2.702 1.00 0.00 H new ATOM 412 N GLN A 28 2.112 4.290 6.076 1.00 0.00 N ATOM 413 CA GLN A 28 1.763 5.356 7.012 1.00 0.00 C ATOM 414 C GLN A 28 2.454 6.673 6.626 1.00 0.00 C ATOM 415 O GLN A 28 1.809 7.714 6.501 1.00 0.00 O ATOM 416 CB GLN A 28 2.103 4.908 8.446 1.00 0.00 C ATOM 417 CG GLN A 28 1.971 6.025 9.493 1.00 0.00 C ATOM 418 CD GLN A 28 0.573 6.651 9.571 1.00 0.00 C ATOM 419 OE1 GLN A 28 -0.288 6.221 10.330 1.00 0.00 O ATOM 420 NE2 GLN A 28 0.293 7.690 8.808 1.00 0.00 N ATOM 0 H GLN A 28 2.668 3.542 6.489 1.00 0.00 H new ATOM 0 HA GLN A 28 0.691 5.549 6.966 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.447 4.083 8.724 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.123 4.524 8.464 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.232 5.623 10.472 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.695 6.808 9.266 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.999 8.060 8.171 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.629 8.124 8.855 1.00 0.00 H new ATOM 427 N GLU A 29 3.773 6.670 6.467 1.00 0.00 N ATOM 428 CA GLU A 29 4.539 7.885 6.235 1.00 0.00 C ATOM 429 C GLU A 29 4.155 8.587 4.930 1.00 0.00 C ATOM 430 O GLU A 29 3.847 9.777 4.975 1.00 0.00 O ATOM 431 CB GLU A 29 6.024 7.548 6.317 1.00 0.00 C ATOM 432 CG GLU A 29 6.465 7.206 7.747 1.00 0.00 C ATOM 433 CD GLU A 29 7.883 6.618 7.748 1.00 0.00 C ATOM 434 OE1 GLU A 29 8.033 5.448 7.320 1.00 0.00 O ATOM 435 OE2 GLU A 29 8.838 7.312 8.178 1.00 0.00 O ATOM 0 H GLU A 29 4.340 5.823 6.496 1.00 0.00 H new ATOM 0 HA GLU A 29 4.300 8.611 7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.240 6.705 5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.607 8.393 5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.437 8.102 8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.769 6.492 8.187 1.00 0.00 H new ATOM 440 N ILE A 30 4.080 7.886 3.793 1.00 0.00 N ATOM 441 CA ILE A 30 3.588 8.481 2.539 1.00 0.00 C ATOM 442 C ILE A 30 2.155 9.005 2.670 1.00 0.00 C ATOM 443 O ILE A 30 1.884 10.101 2.185 1.00 0.00 O ATOM 444 CB ILE A 30 3.815 7.585 1.302 1.00 0.00 C ATOM 445 CG1 ILE A 30 2.920 6.331 1.284 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.305 7.237 1.192 1.00 0.00 C ATOM 447 CD1 ILE A 30 3.237 5.326 0.166 1.00 0.00 C ATOM 0 H ILE A 30 4.353 6.906 3.712 1.00 0.00 H new ATOM 0 HA ILE A 30 4.209 9.358 2.353 1.00 0.00 H new ATOM 0 HB ILE A 30 3.516 8.151 0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.010 5.824 2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.881 6.645 1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.467 6.604 0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.886 8.153 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.622 6.705 2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.556 4.478 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.117 5.810 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.264 4.976 0.272 1.00 0.00 H new ATOM 458 N ALA A 31 1.267 8.325 3.407 1.00 0.00 N ATOM 459 CA ALA A 31 -0.088 8.848 3.641 1.00 0.00 C ATOM 460 C ALA A 31 -0.080 10.173 4.433 1.00 0.00 C ATOM 461 O ALA A 31 -0.896 11.066 4.185 1.00 0.00 O ATOM 462 CB ALA A 31 -0.910 7.787 4.382 1.00 0.00 C ATOM 0 H ALA A 31 1.457 7.424 3.846 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.539 9.067 2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.917 8.165 4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.965 6.881 3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.434 7.559 5.336 1.00 0.00 H new ATOM 468 N ASN A 32 0.858 10.320 5.372 1.00 0.00 N ATOM 469 CA ASN A 32 0.997 11.489 6.235 1.00 0.00 C ATOM 470 C ASN A 32 1.440 12.745 5.476 1.00 0.00 C ATOM 471 O ASN A 32 0.805 13.790 5.596 1.00 0.00 O ATOM 472 CB ASN A 32 1.980 11.137 7.358 1.00 0.00 C ATOM 473 CG ASN A 32 2.197 12.283 8.331 1.00 0.00 C ATOM 474 OD1 ASN A 32 1.267 12.811 8.924 1.00 0.00 O ATOM 475 ND2 ASN A 32 3.422 12.718 8.522 1.00 0.00 N ATOM 0 H ASN A 32 1.562 9.605 5.556 1.00 0.00 H new ATOM 0 HA ASN A 32 0.020 11.736 6.649 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.607 10.270 7.903 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.937 10.851 6.921 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.594 13.493 9.163 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.201 12.281 8.030 1.00 0.00 H new ATOM 481 N ILE A 33 2.510 12.660 4.688 1.00 0.00 N ATOM 482 CA ILE A 33 3.042 13.813 3.935 1.00 0.00 C ATOM 483 C ILE A 33 2.025 14.309 2.903 1.00 0.00 C ATOM 484 O ILE A 33 1.885 15.512 2.695 1.00 0.00 O ATOM 485 CB ILE A 33 4.355 13.440 3.229 1.00 0.00 C ATOM 486 CG1 ILE A 33 5.388 12.829 4.203 1.00 0.00 C ATOM 487 CG2 ILE A 33 4.993 14.627 2.499 1.00 0.00 C ATOM 488 CD1 ILE A 33 5.886 11.520 3.609 1.00 0.00 C ATOM 0 H ILE A 33 3.036 11.798 4.548 1.00 0.00 H new ATOM 0 HA ILE A 33 3.237 14.614 4.648 1.00 0.00 H new ATOM 0 HB ILE A 33 4.077 12.689 2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.219 13.517 4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.934 12.655 5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.917 14.305 2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.303 15.003 1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.213 15.419 3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.617 11.071 4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.046 10.837 3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.352 11.713 2.643 1.00 0.00 H new ATOM 499 N LEU A 34 1.265 13.392 2.299 1.00 0.00 N ATOM 500 CA LEU A 34 0.194 13.672 1.337 1.00 0.00 C ATOM 501 C LEU A 34 -0.947 14.488 1.947 1.00 0.00 C ATOM 502 O LEU A 34 -1.636 15.222 1.231 1.00 0.00 O ATOM 503 CB LEU A 34 -0.292 12.326 0.764 1.00 0.00 C ATOM 504 CG LEU A 34 0.437 11.866 -0.518 1.00 0.00 C ATOM 505 CD1 LEU A 34 1.937 12.173 -0.540 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.232 10.366 -0.726 1.00 0.00 C ATOM 0 H LEU A 34 1.383 12.394 2.473 1.00 0.00 H new ATOM 0 HA LEU A 34 0.584 14.297 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.173 11.558 1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.358 12.402 0.551 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.009 12.443 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.368 11.816 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.089 13.249 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.423 11.673 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.749 10.050 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.633 9.822 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.833 10.154 -0.824 1.00 0.00 H new ATOM 517 N LYS A 35 -1.101 14.440 3.272 1.00 0.00 N ATOM 518 CA LYS A 35 -2.098 15.267 3.969 1.00 0.00 C ATOM 519 C LYS A 35 -1.656 16.726 4.144 1.00 0.00 C ATOM 520 O LYS A 35 -2.490 17.588 4.424 1.00 0.00 O ATOM 521 CB LYS A 35 -2.506 14.568 5.278 1.00 0.00 C ATOM 522 CG LYS A 35 -1.886 15.187 6.539 1.00 0.00 C ATOM 523 CD LYS A 35 -1.983 14.222 7.727 1.00 0.00 C ATOM 524 CE LYS A 35 -1.613 14.900 9.053 1.00 0.00 C ATOM 525 NZ LYS A 35 -0.177 15.263 9.115 1.00 0.00 N ATOM 0 H LYS A 35 -0.551 13.839 3.886 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.988 15.350 3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.592 14.596 5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.218 13.518 5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.841 15.435 6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.397 16.119 6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.997 13.829 7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.322 13.372 7.558 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.219 15.797 9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.853 14.232 9.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.020 15.748 10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.402 14.401 9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.056 15.895 8.322 1.00 0.00 H new ATOM 535 N GLU A 36 -0.366 17.019 3.954 1.00 0.00 N ATOM 536 CA GLU A 36 0.182 18.380 4.067 1.00 0.00 C ATOM 537 C GLU A 36 -0.007 19.181 2.769 1.00 0.00 C ATOM 538 O GLU A 36 0.038 20.416 2.779 1.00 0.00 O ATOM 539 CB GLU A 36 1.676 18.334 4.434 1.00 0.00 C ATOM 540 CG GLU A 36 1.970 17.496 5.689 1.00 0.00 C ATOM 541 CD GLU A 36 3.414 17.718 6.172 1.00 0.00 C ATOM 542 OE1 GLU A 36 4.358 17.129 5.590 1.00 0.00 O ATOM 543 OE2 GLU A 36 3.619 18.484 7.148 1.00 0.00 O ATOM 0 H GLU A 36 0.334 16.316 3.716 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.370 18.884 4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.237 17.925 3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.035 19.351 4.593 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.272 17.764 6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.814 16.440 5.471 1.00 0.00 H new ATOM 548 N LYS A 37 -0.227 18.480 1.646 1.00 0.00 N ATOM 549 CA LYS A 37 -0.379 19.030 0.292 1.00 0.00 C ATOM 550 C LYS A 37 -1.851 19.345 0.054 1.00 0.00 C ATOM 551 O LYS A 37 -2.228 20.489 -0.211 1.00 0.00 O ATOM 552 CB LYS A 37 0.123 18.002 -0.741 1.00 0.00 C ATOM 553 CG LYS A 37 1.333 17.192 -0.274 1.00 0.00 C ATOM 554 CD LYS A 37 2.650 17.970 -0.353 1.00 0.00 C ATOM 555 CE LYS A 37 3.661 17.300 0.577 1.00 0.00 C ATOM 556 NZ LYS A 37 5.033 17.827 0.375 1.00 0.00 N ATOM 0 H LYS A 37 -0.308 17.463 1.659 1.00 0.00 H new ATOM 0 HA LYS A 37 0.208 19.943 0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.690 17.316 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.382 18.524 -1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.171 16.870 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.415 16.291 -0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.024 17.980 -1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.495 19.009 -0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.361 17.457 1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.656 16.224 0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.688 17.347 1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.330 17.655 -0.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.044 18.849 0.565 1.00 0.00 H new ATOM 566 N GLY A 38 -2.665 18.298 0.202 1.00 0.00 N ATOM 567 CA GLY A 38 -4.126 18.380 0.163 1.00 0.00 C ATOM 568 C GLY A 38 -4.816 17.071 -0.222 1.00 0.00 C ATOM 569 O GLY A 38 -6.029 17.065 -0.445 1.00 0.00 O ATOM 0 H GLY A 38 -2.320 17.350 0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.488 18.694 1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.417 19.154 -0.548 1.00 0.00 H new ATOM 573 N PHE A 39 -4.072 15.963 -0.324 1.00 0.00 N ATOM 574 CA PHE A 39 -4.624 14.682 -0.770 1.00 0.00 C ATOM 575 C PHE A 39 -5.385 13.957 0.345 1.00 0.00 C ATOM 576 O PHE A 39 -6.264 13.146 0.056 1.00 0.00 O ATOM 577 CB PHE A 39 -3.492 13.797 -1.301 1.00 0.00 C ATOM 578 CG PHE A 39 -2.644 14.479 -2.354 1.00 0.00 C ATOM 579 CD1 PHE A 39 -3.218 14.806 -3.597 1.00 0.00 C ATOM 580 CD2 PHE A 39 -1.303 14.814 -2.084 1.00 0.00 C ATOM 581 CE1 PHE A 39 -2.457 15.474 -4.568 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.534 15.456 -3.075 1.00 0.00 C ATOM 583 CZ PHE A 39 -1.113 15.797 -4.312 1.00 0.00 C ATOM 0 H PHE A 39 -3.077 15.931 -0.101 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.342 14.886 -1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.855 13.496 -0.470 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.919 12.886 -1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.245 14.542 -3.803 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.867 14.580 -1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.905 15.741 -5.514 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.504 15.687 -2.885 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.526 16.306 -5.063 1.00 0.00 H new ATOM 592 N LYS A 40 -5.032 14.275 1.606 1.00 0.00 N ATOM 593 CA LYS A 40 -5.492 13.734 2.899 1.00 0.00 C ATOM 594 C LYS A 40 -5.865 12.246 2.872 1.00 0.00 C ATOM 595 O LYS A 40 -6.795 11.814 3.556 1.00 0.00 O ATOM 596 CB LYS A 40 -6.566 14.662 3.509 1.00 0.00 C ATOM 597 CG LYS A 40 -7.772 14.909 2.584 1.00 0.00 C ATOM 598 CD LYS A 40 -9.122 14.915 3.315 1.00 0.00 C ATOM 599 CE LYS A 40 -9.504 13.496 3.763 1.00 0.00 C ATOM 600 NZ LYS A 40 -10.813 13.471 4.460 1.00 0.00 N ATOM 0 H LYS A 40 -4.335 15.004 1.760 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.640 13.737 3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.920 14.227 4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.108 15.619 3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.640 15.865 2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.790 14.139 1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.069 15.573 4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.895 15.315 2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.542 12.839 2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.732 13.104 4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.035 12.496 4.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.769 14.078 5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.554 13.821 3.820 1.00 0.00 H new ATOM 610 N VAL A 41 -5.134 11.460 2.078 1.00 0.00 N ATOM 611 CA VAL A 41 -5.425 10.032 1.872 1.00 0.00 C ATOM 612 C VAL A 41 -4.824 9.222 3.031 1.00 0.00 C ATOM 613 O VAL A 41 -3.725 9.508 3.512 1.00 0.00 O ATOM 614 CB VAL A 41 -5.005 9.519 0.474 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.567 9.934 0.132 1.00 0.00 C ATOM 616 CG2 VAL A 41 -5.046 7.991 0.403 1.00 0.00 C ATOM 0 H VAL A 41 -4.322 11.792 1.558 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.506 9.892 1.884 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.713 9.959 -0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.305 9.557 -0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.491 11.021 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.883 9.519 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.745 7.665 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.363 7.574 1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.059 7.644 0.608 1.00 0.00 H new ATOM 626 N ALA A 42 -5.556 8.218 3.502 1.00 0.00 N ATOM 627 CA ALA A 42 -5.210 7.304 4.574 1.00 0.00 C ATOM 628 C ALA A 42 -4.250 6.194 4.106 1.00 0.00 C ATOM 629 O ALA A 42 -4.177 5.842 2.924 1.00 0.00 O ATOM 630 CB ALA A 42 -6.515 6.700 5.115 1.00 0.00 C ATOM 0 H ALA A 42 -6.475 8.010 3.112 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.684 7.852 5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.287 6.007 5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.157 7.497 5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.028 6.167 4.315 1.00 0.00 H new ATOM 636 N ARG A 43 -3.572 5.563 5.066 1.00 0.00 N ATOM 637 CA ARG A 43 -2.631 4.457 4.838 1.00 0.00 C ATOM 638 C ARG A 43 -3.233 3.279 4.070 1.00 0.00 C ATOM 639 O ARG A 43 -2.541 2.663 3.263 1.00 0.00 O ATOM 640 CB ARG A 43 -2.019 4.056 6.192 1.00 0.00 C ATOM 641 CG ARG A 43 -1.250 2.724 6.158 1.00 0.00 C ATOM 642 CD ARG A 43 -2.136 1.538 6.576 1.00 0.00 C ATOM 643 NE ARG A 43 -1.707 0.294 5.922 1.00 0.00 N ATOM 644 CZ ARG A 43 -2.363 -0.843 5.828 1.00 0.00 C ATOM 645 NH1 ARG A 43 -3.480 -1.049 6.460 1.00 0.00 N ATOM 646 NH2 ARG A 43 -1.885 -1.795 5.085 1.00 0.00 N ATOM 0 H ARG A 43 -3.662 5.811 6.051 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.839 4.804 4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.344 4.846 6.523 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.815 3.986 6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.865 2.553 5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.388 2.785 6.823 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.096 1.415 7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.174 1.748 6.318 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.785 0.314 5.486 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.874 -0.317 7.051 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.963 -1.943 6.365 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.009 -1.658 4.581 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.386 -2.680 5.005 1.00 0.00 H new ATOM 657 N ARG A 44 -4.514 2.967 4.275 1.00 0.00 N ATOM 658 CA ARG A 44 -5.141 1.763 3.696 1.00 0.00 C ATOM 659 C ARG A 44 -5.215 1.843 2.177 1.00 0.00 C ATOM 660 O ARG A 44 -5.129 0.838 1.477 1.00 0.00 O ATOM 661 CB ARG A 44 -6.550 1.549 4.289 1.00 0.00 C ATOM 662 CG ARG A 44 -6.686 0.195 4.999 1.00 0.00 C ATOM 663 CD ARG A 44 -6.433 -1.025 4.101 1.00 0.00 C ATOM 664 NE ARG A 44 -7.454 -1.179 3.045 1.00 0.00 N ATOM 665 CZ ARG A 44 -7.314 -1.815 1.896 1.00 0.00 C ATOM 666 NH1 ARG A 44 -6.220 -2.450 1.580 1.00 0.00 N ATOM 667 NH2 ARG A 44 -8.280 -1.840 1.024 1.00 0.00 N ATOM 0 H ARG A 44 -5.147 3.532 4.841 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.514 0.910 3.954 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.770 2.350 4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.291 1.614 3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.987 0.166 5.835 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.689 0.119 5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.450 -0.933 3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.414 -1.925 4.715 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.362 -0.749 3.222 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.434 -2.467 2.230 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.150 -2.930 0.683 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.160 -1.364 1.224 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.157 -2.335 0.141 1.00 0.00 H new ATOM 678 N THR A 45 -5.357 3.064 1.682 1.00 0.00 N ATOM 679 CA THR A 45 -5.534 3.462 0.308 1.00 0.00 C ATOM 680 C THR A 45 -4.188 3.559 -0.373 1.00 0.00 C ATOM 681 O THR A 45 -3.966 2.999 -1.445 1.00 0.00 O ATOM 682 CB THR A 45 -6.146 4.861 0.337 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.198 4.977 1.274 1.00 0.00 O ATOM 684 CG2 THR A 45 -6.636 5.225 -1.042 1.00 0.00 C ATOM 0 H THR A 45 -5.349 3.875 2.301 1.00 0.00 H new ATOM 0 HA THR A 45 -6.158 2.744 -0.224 1.00 0.00 H new ATOM 0 HB THR A 45 -5.365 5.553 0.653 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.554 5.890 1.255 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.073 6.223 -1.021 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.800 5.209 -1.741 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.390 4.506 -1.362 1.00 0.00 H new ATOM 692 N VAL A 46 -3.265 4.266 0.279 1.00 0.00 N ATOM 693 CA VAL A 46 -1.944 4.536 -0.258 1.00 0.00 C ATOM 694 C VAL A 46 -1.124 3.240 -0.397 1.00 0.00 C ATOM 695 O VAL A 46 -0.267 3.119 -1.276 1.00 0.00 O ATOM 696 CB VAL A 46 -1.266 5.610 0.607 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.329 5.042 1.663 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.470 6.589 -0.251 1.00 0.00 C ATOM 0 H VAL A 46 -3.421 4.668 1.203 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.020 4.931 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.086 6.117 1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.113 5.858 2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.889 4.391 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.462 4.469 1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.002 7.337 0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.301 6.048 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.139 7.082 -0.956 1.00 0.00 H new ATOM 708 N ALA A 47 -1.441 2.244 0.441 1.00 0.00 N ATOM 709 CA ALA A 47 -0.849 0.920 0.478 1.00 0.00 C ATOM 710 C ALA A 47 -1.233 0.092 -0.746 1.00 0.00 C ATOM 711 O ALA A 47 -0.411 -0.664 -1.255 1.00 0.00 O ATOM 712 CB ALA A 47 -1.336 0.191 1.730 1.00 0.00 C ATOM 0 H ALA A 47 -2.164 2.359 1.151 1.00 0.00 H new ATOM 0 HA ALA A 47 0.235 1.038 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.895 -0.805 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.038 0.751 2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.422 0.107 1.702 1.00 0.00 H new ATOM 718 N LYS A 48 -2.466 0.239 -1.246 1.00 0.00 N ATOM 719 CA LYS A 48 -2.874 -0.396 -2.502 1.00 0.00 C ATOM 720 C LYS A 48 -2.094 0.153 -3.687 1.00 0.00 C ATOM 721 O LYS A 48 -1.754 -0.586 -4.610 1.00 0.00 O ATOM 722 CB LYS A 48 -4.362 -0.125 -2.745 1.00 0.00 C ATOM 723 CG LYS A 48 -5.358 -0.860 -1.838 1.00 0.00 C ATOM 724 CD LYS A 48 -6.801 -0.644 -2.338 1.00 0.00 C ATOM 725 CE LYS A 48 -7.139 0.847 -2.483 1.00 0.00 C ATOM 726 NZ LYS A 48 -8.492 1.085 -3.040 1.00 0.00 N ATOM 0 H LYS A 48 -3.197 0.792 -0.799 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.676 -1.464 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.534 0.946 -2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.590 -0.384 -3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.127 -1.925 -1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.263 -0.498 -0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.930 -1.141 -3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.500 -1.109 -1.642 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.065 1.327 -1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.399 1.320 -3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.662 2.108 -3.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.560 0.654 -3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.205 0.660 -2.413 1.00 0.00 H new ATOM 736 N TYR A 49 -1.844 1.460 -3.685 1.00 0.00 N ATOM 737 CA TYR A 49 -1.415 2.159 -4.895 1.00 0.00 C ATOM 738 C TYR A 49 0.028 1.851 -5.273 1.00 0.00 C ATOM 739 O TYR A 49 0.303 1.631 -6.454 1.00 0.00 O ATOM 740 CB TYR A 49 -1.720 3.656 -4.788 1.00 0.00 C ATOM 741 CG TYR A 49 -3.115 4.004 -5.300 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.209 3.123 -5.148 1.00 0.00 C ATOM 743 CD2 TYR A 49 -3.295 5.202 -6.005 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.443 3.411 -5.764 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.523 5.502 -6.621 1.00 0.00 C ATOM 746 CZ TYR A 49 -5.597 4.593 -6.522 1.00 0.00 C ATOM 747 OH TYR A 49 -6.779 4.876 -7.133 1.00 0.00 O ATOM 0 H TYR A 49 -1.931 2.056 -2.862 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.000 1.777 -5.731 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.629 3.969 -3.748 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.977 4.217 -5.356 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.099 2.225 -4.557 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.478 5.905 -6.076 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.272 2.727 -5.657 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.643 6.425 -7.168 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.705 5.729 -7.609 1.00 0.00 H new ATOM 756 N ARG A 50 0.922 1.680 -4.289 1.00 0.00 N ATOM 757 CA ARG A 50 2.290 1.176 -4.556 1.00 0.00 C ATOM 758 C ARG A 50 2.325 -0.087 -5.432 1.00 0.00 C ATOM 759 O ARG A 50 3.251 -0.244 -6.226 1.00 0.00 O ATOM 760 CB ARG A 50 3.091 0.957 -3.258 1.00 0.00 C ATOM 761 CG ARG A 50 2.326 0.157 -2.199 1.00 0.00 C ATOM 762 CD ARG A 50 3.235 -0.573 -1.199 1.00 0.00 C ATOM 763 NE ARG A 50 3.400 -2.009 -1.523 1.00 0.00 N ATOM 764 CZ ARG A 50 2.549 -2.979 -1.239 1.00 0.00 C ATOM 765 NH1 ARG A 50 1.339 -2.741 -0.843 1.00 0.00 N ATOM 766 NH2 ARG A 50 2.897 -4.226 -1.345 1.00 0.00 N ATOM 0 H ARG A 50 0.732 1.879 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 50 2.772 1.967 -5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.019 0.437 -3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.367 1.926 -2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.668 0.832 -1.652 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.690 -0.574 -2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.213 -0.093 -1.185 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.818 -0.476 -0.197 1.00 0.00 H new ATOM 0 HE ARG A 50 4.254 -2.275 -2.013 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.016 -1.779 -0.742 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.710 -3.516 -0.633 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.839 -4.468 -1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.228 -4.963 -1.122 1.00 0.00 H new ATOM 777 N GLU A 51 1.297 -0.939 -5.349 1.00 0.00 N ATOM 778 CA GLU A 51 1.234 -2.207 -6.096 1.00 0.00 C ATOM 779 C GLU A 51 1.013 -2.002 -7.607 1.00 0.00 C ATOM 780 O GLU A 51 1.569 -2.749 -8.417 1.00 0.00 O ATOM 781 CB GLU A 51 0.128 -3.102 -5.507 1.00 0.00 C ATOM 782 CG GLU A 51 0.202 -4.552 -6.007 1.00 0.00 C ATOM 783 CD GLU A 51 -0.960 -5.396 -5.449 1.00 0.00 C ATOM 784 OE1 GLU A 51 -2.074 -5.359 -6.030 1.00 0.00 O ATOM 785 OE2 GLU A 51 -0.767 -6.123 -4.443 1.00 0.00 O ATOM 0 H GLU A 51 0.481 -0.771 -4.761 1.00 0.00 H new ATOM 0 HA GLU A 51 2.203 -2.695 -5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.202 -3.094 -4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.845 -2.684 -5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.174 -4.565 -7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.152 -4.994 -5.708 1.00 0.00 H new ATOM 790 N MET A 52 0.215 -1.000 -8.002 1.00 0.00 N ATOM 791 CA MET A 52 -0.152 -0.765 -9.410 1.00 0.00 C ATOM 792 C MET A 52 0.863 0.098 -10.175 1.00 0.00 C ATOM 793 O MET A 52 0.915 0.048 -11.408 1.00 0.00 O ATOM 794 CB MET A 52 -1.583 -0.205 -9.522 1.00 0.00 C ATOM 795 CG MET A 52 -1.768 1.190 -8.915 1.00 0.00 C ATOM 796 SD MET A 52 -3.394 1.952 -9.185 1.00 0.00 S ATOM 797 CE MET A 52 -4.433 0.912 -8.119 1.00 0.00 C ATOM 0 H MET A 52 -0.196 -0.327 -7.355 1.00 0.00 H new ATOM 0 HA MET A 52 -0.128 -1.739 -9.899 1.00 0.00 H new ATOM 0 HB2 MET A 52 -1.865 -0.170 -10.574 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.269 -0.895 -9.031 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.590 1.126 -7.842 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.004 1.850 -9.326 1.00 0.00 H new ATOM 0 HE1 MET A 52 -5.460 1.275 -8.147 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.402 -0.118 -8.474 1.00 0.00 H new ATOM 0 HE3 MET A 52 -4.061 0.954 -7.095 1.00 0.00 H new ATOM 805 N LEU A 53 1.688 0.871 -9.460 1.00 0.00 N ATOM 806 CA LEU A 53 2.728 1.740 -10.016 1.00 0.00 C ATOM 807 C LEU A 53 4.044 0.979 -10.235 1.00 0.00 C ATOM 808 O LEU A 53 4.472 0.807 -11.380 1.00 0.00 O ATOM 809 CB LEU A 53 2.859 2.957 -9.088 1.00 0.00 C ATOM 810 CG LEU A 53 1.644 3.882 -9.279 1.00 0.00 C ATOM 811 CD1 LEU A 53 1.191 4.483 -7.953 1.00 0.00 C ATOM 812 CD2 LEU A 53 2.017 4.954 -10.294 1.00 0.00 C ATOM 0 H LEU A 53 1.647 0.909 -8.442 1.00 0.00 H new ATOM 0 HA LEU A 53 2.453 2.091 -11.011 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.921 2.631 -8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.779 3.498 -9.308 1.00 0.00 H new ATOM 0 HG LEU A 53 0.796 3.310 -9.655 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.331 5.131 -8.122 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.913 3.683 -7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.005 5.065 -7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.169 5.622 -10.445 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.868 5.526 -9.923 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.281 4.483 -11.241 1.00 0.00 H new ATOM 823 N GLY A 54 4.662 0.484 -9.160 1.00 0.00 N ATOM 824 CA GLY A 54 5.762 -0.486 -9.253 1.00 0.00 C ATOM 825 C GLY A 54 6.533 -0.821 -7.969 1.00 0.00 C ATOM 826 O GLY A 54 7.409 -1.689 -8.005 1.00 0.00 O ATOM 0 H GLY A 54 4.417 0.741 -8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.356 -1.416 -9.651 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.478 -0.111 -9.985 1.00 0.00 H new ATOM 830 N ILE A 55 6.260 -0.148 -6.847 1.00 0.00 N ATOM 831 CA ILE A 55 6.983 -0.331 -5.579 1.00 0.00 C ATOM 832 C ILE A 55 6.531 -1.630 -4.869 1.00 0.00 C ATOM 833 O ILE A 55 5.340 -1.785 -4.580 1.00 0.00 O ATOM 834 CB ILE A 55 6.831 0.927 -4.699 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.667 2.075 -5.311 1.00 0.00 C ATOM 836 CG2 ILE A 55 7.298 0.680 -3.253 1.00 0.00 C ATOM 837 CD1 ILE A 55 7.115 3.457 -4.957 1.00 0.00 C ATOM 0 H ILE A 55 5.519 0.551 -6.791 1.00 0.00 H new ATOM 0 HA ILE A 55 8.047 -0.452 -5.781 1.00 0.00 H new ATOM 0 HB ILE A 55 5.773 1.189 -4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.696 1.998 -4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.691 1.964 -6.395 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.173 1.592 -2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.703 -0.119 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.349 0.391 -3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.740 4.226 -5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.096 3.549 -5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.116 3.583 -3.874 1.00 0.00 H new ATOM 848 N PRO A 56 7.453 -2.569 -4.568 1.00 0.00 N ATOM 849 CA PRO A 56 7.128 -3.849 -3.935 1.00 0.00 C ATOM 850 C PRO A 56 6.709 -3.641 -2.471 1.00 0.00 C ATOM 851 O PRO A 56 5.571 -3.923 -2.104 1.00 0.00 O ATOM 852 CB PRO A 56 8.380 -4.718 -4.115 1.00 0.00 C ATOM 853 CG PRO A 56 9.530 -3.716 -4.224 1.00 0.00 C ATOM 854 CD PRO A 56 8.886 -2.459 -4.808 1.00 0.00 C ATOM 0 HA PRO A 56 6.270 -4.346 -4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.520 -5.392 -3.270 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.308 -5.338 -5.009 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.977 -3.517 -3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.324 -4.092 -4.869 1.00 0.00 H new ATOM 0 HD2 PRO A 56 9.289 -1.563 -4.336 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.094 -2.378 -5.875 1.00 0.00 H new ATOM 859 N SER A 57 7.593 -3.066 -1.655 1.00 0.00 N ATOM 860 CA SER A 57 7.279 -2.391 -0.376 1.00 0.00 C ATOM 861 C SER A 57 8.191 -1.193 -0.064 1.00 0.00 C ATOM 862 O SER A 57 8.014 -0.484 0.926 1.00 0.00 O ATOM 863 CB SER A 57 7.362 -3.381 0.789 1.00 0.00 C ATOM 864 OG SER A 57 8.706 -3.779 1.021 1.00 0.00 O ATOM 0 H SER A 57 8.591 -3.052 -1.867 1.00 0.00 H new ATOM 0 HA SER A 57 6.265 -2.009 -0.493 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.953 -2.924 1.690 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.751 -4.257 0.571 1.00 0.00 H new ATOM 0 HG SER A 57 8.736 -4.410 1.770 1.00 0.00 H new ATOM 869 N SER A 58 9.224 -0.993 -0.889 1.00 0.00 N ATOM 870 CA SER A 58 10.436 -0.177 -0.695 1.00 0.00 C ATOM 871 C SER A 58 11.337 -0.571 0.488 1.00 0.00 C ATOM 872 O SER A 58 12.539 -0.299 0.437 1.00 0.00 O ATOM 873 CB SER A 58 10.128 1.329 -0.728 1.00 0.00 C ATOM 874 OG SER A 58 9.367 1.750 0.386 1.00 0.00 O ATOM 0 H SER A 58 9.237 -1.443 -1.804 1.00 0.00 H new ATOM 0 HA SER A 58 11.051 -0.416 -1.562 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.064 1.887 -0.757 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.587 1.566 -1.644 1.00 0.00 H new ATOM 0 HG SER A 58 9.021 0.966 0.861 1.00 0.00 H new ATOM 879 N ARG A 59 10.827 -1.302 1.494 1.00 0.00 N ATOM 880 CA ARG A 59 11.592 -1.891 2.603 1.00 0.00 C ATOM 881 C ARG A 59 12.434 -3.048 2.086 1.00 0.00 C ATOM 882 O ARG A 59 13.602 -3.170 2.440 1.00 0.00 O ATOM 883 CB ARG A 59 10.605 -2.342 3.702 1.00 0.00 C ATOM 884 CG ARG A 59 11.153 -3.375 4.710 1.00 0.00 C ATOM 885 CD ARG A 59 10.066 -3.729 5.730 1.00 0.00 C ATOM 886 NE ARG A 59 10.405 -4.911 6.541 1.00 0.00 N ATOM 887 CZ ARG A 59 9.587 -5.550 7.361 1.00 0.00 C ATOM 888 NH1 ARG A 59 8.370 -5.139 7.585 1.00 0.00 N ATOM 889 NH2 ARG A 59 9.981 -6.626 7.977 1.00 0.00 N ATOM 0 H ARG A 59 9.830 -1.506 1.558 1.00 0.00 H new ATOM 0 HA ARG A 59 12.274 -1.157 3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.277 -1.461 4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.722 -2.764 3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.478 -4.273 4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.027 -2.971 5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.902 -2.877 6.390 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.128 -3.911 5.206 1.00 0.00 H new ATOM 0 HE ARG A 59 11.357 -5.269 6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.022 -4.300 7.121 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.766 -5.657 8.224 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.926 -6.982 7.829 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.345 -7.114 8.608 1.00 0.00 H new ATOM 900 N GLU A 60 11.836 -3.885 1.240 1.00 0.00 N ATOM 901 CA GLU A 60 12.439 -5.135 0.773 1.00 0.00 C ATOM 902 C GLU A 60 13.582 -4.906 -0.231 1.00 0.00 C ATOM 903 O GLU A 60 14.496 -5.728 -0.342 1.00 0.00 O ATOM 904 CB GLU A 60 11.350 -6.090 0.253 1.00 0.00 C ATOM 905 CG GLU A 60 10.657 -5.668 -1.055 1.00 0.00 C ATOM 906 CD GLU A 60 11.277 -6.361 -2.287 1.00 0.00 C ATOM 907 OE1 GLU A 60 10.986 -7.559 -2.524 1.00 0.00 O ATOM 908 OE2 GLU A 60 12.046 -5.713 -3.034 1.00 0.00 O ATOM 0 H GLU A 60 10.908 -3.713 0.854 1.00 0.00 H new ATOM 0 HA GLU A 60 12.916 -5.619 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.796 -7.073 0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.589 -6.199 1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.596 -5.911 -0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.731 -4.587 -1.172 1.00 0.00 H new ATOM 913 N ARG A 61 13.569 -3.748 -0.907 1.00 0.00 N ATOM 914 CA ARG A 61 14.669 -3.209 -1.716 1.00 0.00 C ATOM 915 C ARG A 61 15.844 -2.751 -0.852 1.00 0.00 C ATOM 916 O ARG A 61 16.999 -3.039 -1.176 1.00 0.00 O ATOM 917 CB ARG A 61 14.153 -2.015 -2.536 1.00 0.00 C ATOM 918 CG ARG A 61 12.937 -2.354 -3.414 1.00 0.00 C ATOM 919 CD ARG A 61 12.643 -1.241 -4.421 1.00 0.00 C ATOM 920 NE ARG A 61 12.437 0.070 -3.773 1.00 0.00 N ATOM 921 CZ ARG A 61 11.961 1.164 -4.333 1.00 0.00 C ATOM 922 NH1 ARG A 61 11.544 1.206 -5.562 1.00 0.00 N ATOM 923 NH2 ARG A 61 11.912 2.282 -3.680 1.00 0.00 N ATOM 0 H ARG A 61 12.754 -3.135 -0.904 1.00 0.00 H new ATOM 0 HA ARG A 61 15.024 -4.005 -2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.886 -1.206 -1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.958 -1.645 -3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.120 -3.288 -3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.064 -2.513 -2.782 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.470 -1.167 -5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.755 -1.502 -4.996 1.00 0.00 H new ATOM 0 HE ARG A 61 12.690 0.136 -2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.576 0.367 -6.140 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.184 2.078 -5.949 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.245 2.325 -2.717 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.540 3.119 -4.129 1.00 0.00 H new ATOM 934 N ARG A 62 15.555 -2.006 0.226 1.00 0.00 N ATOM 935 CA ARG A 62 16.522 -1.364 1.117 1.00 0.00 C ATOM 936 C ARG A 62 17.273 -2.360 2.013 1.00 0.00 C ATOM 937 O ARG A 62 18.507 -2.376 2.011 1.00 0.00 O ATOM 938 CB ARG A 62 15.728 -0.321 1.919 1.00 0.00 C ATOM 939 CG ARG A 62 16.553 0.377 3.003 1.00 0.00 C ATOM 940 CD ARG A 62 15.935 0.133 4.377 1.00 0.00 C ATOM 941 NE ARG A 62 16.713 0.801 5.434 1.00 0.00 N ATOM 942 CZ ARG A 62 16.462 0.797 6.730 1.00 0.00 C ATOM 943 NH1 ARG A 62 15.443 0.164 7.238 1.00 0.00 N ATOM 944 NH2 ARG A 62 17.240 1.440 7.553 1.00 0.00 N ATOM 0 H ARG A 62 14.592 -1.829 0.510 1.00 0.00 H new ATOM 0 HA ARG A 62 17.319 -0.891 0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.335 0.430 1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.871 -0.808 2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.577 0.005 2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.599 1.447 2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.909 0.501 4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.892 -0.938 4.575 1.00 0.00 H new ATOM 0 HE ARG A 62 17.535 1.324 5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.807 -0.351 6.629 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.281 0.183 8.245 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.048 1.950 7.197 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.041 1.433 8.553 1.00 0.00 H new ATOM 955 N ILE A 63 16.528 -3.117 2.826 1.00 0.00 N ATOM 956 CA ILE A 63 17.009 -3.952 3.948 1.00 0.00 C ATOM 957 C ILE A 63 18.084 -4.987 3.558 1.00 0.00 C ATOM 958 O ILE A 63 19.049 -5.148 4.340 1.00 0.00 O ATOM 959 CB ILE A 63 15.799 -4.549 4.706 1.00 0.00 C ATOM 960 CG1 ILE A 63 16.138 -5.018 6.138 1.00 0.00 C ATOM 961 CG2 ILE A 63 15.152 -5.713 3.934 1.00 0.00 C ATOM 962 CD1 ILE A 63 16.495 -3.867 7.088 1.00 0.00 C ATOM 963 OXT ILE A 63 17.986 -5.617 2.478 1.00 0.00 O ATOM 0 H ILE A 63 15.515 -3.171 2.718 1.00 0.00 H new ATOM 0 HA ILE A 63 17.550 -3.303 4.636 1.00 0.00 H new ATOM 0 HB ILE A 63 15.089 -3.726 4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 63 15.287 -5.564 6.545 1.00 0.00 H new ATOM 0 HG13 ILE A 63 16.974 -5.716 6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 63 14.307 -6.102 4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 63 14.804 -5.357 2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 63 15.886 -6.505 3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 63 16.722 -4.268 8.076 1.00 0.00 H new ATOM 0 HD12 ILE A 63 17.365 -3.335 6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 63 15.652 -3.180 7.160 1.00 0.00 H new