USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 501 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 Single : A 4 THR OG1 : rot 180:sc= 0.0235 USER MOD Single : A 5 GLN :FLIP amide:sc= -1.52 F(o=-3,f=-1.5) USER MOD Single : A 20 THR OG1 : rot -62:sc= -1.27 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -86:sc= 0.288 USER MOD Single : A 31 LYS NZ :NH3+ -178:sc= -0.422 (180deg=-0.489) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 108:sc= -8.43! USER MOD Single : A 44 MET CE :methyl -133:sc= -13.3! (180deg=-17.6!) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.453 F(o=-1.7,f=-0.45) USER MOD Single : A 51 THR OG1 : rot 160:sc= -1.44 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 136:sc= 0.985 (180deg=-1.15!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0751 K(o=-0.075,f=-1.2) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 -9.789 1.775 -8.229 1.00 0.00 N ATOM 44 CA THR A 4 -10.443 1.982 -6.947 1.00 0.00 C ATOM 45 C THR A 4 -9.698 1.233 -5.842 1.00 0.00 C ATOM 46 O THR A 4 -8.664 0.616 -6.093 1.00 0.00 O ATOM 47 CB THR A 4 -11.906 1.559 -7.089 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.594 2.359 -6.131 1.00 0.00 O ATOM 49 CG2 THR A 4 -12.149 0.123 -6.619 1.00 0.00 C ATOM 0 HA THR A 4 -10.421 3.032 -6.656 1.00 0.00 H new ATOM 0 HB THR A 4 -12.212 1.657 -8.131 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.551 2.150 -6.157 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.203 -0.126 -6.741 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.543 -0.562 -7.212 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.874 0.033 -5.568 1.00 0.00 H new ATOM 57 N GLN A 5 -10.253 1.310 -4.641 1.00 0.00 N ATOM 58 CA GLN A 5 -9.654 0.647 -3.495 1.00 0.00 C ATOM 59 C GLN A 5 -9.431 -0.836 -3.797 1.00 0.00 C ATOM 60 O GLN A 5 -8.291 -1.291 -3.889 1.00 0.00 O ATOM 61 CB GLN A 5 -10.515 0.828 -2.244 1.00 0.00 C ATOM 62 CG GLN A 5 -9.844 0.201 -1.021 1.00 0.00 C ATOM 63 CD GLN A 5 -8.857 1.177 -0.376 1.00 0.00 C ATOM 64 OE1 GLN A 5 -7.699 1.279 -1.020 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 -9.131 1.795 0.639 1.00 0.00 N flip ATOM 0 H GLN A 5 -11.111 1.822 -4.437 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.686 1.108 -3.299 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.685 1.890 -2.066 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.492 0.371 -2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.603 -0.088 -0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.321 -0.709 -1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.041 1.669 1.083 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.451 2.438 1.044 1.00 0.00 H new ATOM 72 N GLU A 6 -10.537 -1.551 -3.944 1.00 0.00 N ATOM 73 CA GLU A 6 -10.478 -2.972 -4.234 1.00 0.00 C ATOM 74 C GLU A 6 -9.555 -3.233 -5.426 1.00 0.00 C ATOM 75 O GLU A 6 -9.080 -4.352 -5.616 1.00 0.00 O ATOM 76 CB GLU A 6 -11.876 -3.540 -4.488 1.00 0.00 C ATOM 77 CG GLU A 6 -12.358 -4.366 -3.294 1.00 0.00 C ATOM 78 CD GLU A 6 -13.822 -4.059 -2.971 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.687 -4.934 -3.124 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.047 -2.862 -2.546 1.00 0.00 O ATOM 0 H GLU A 6 -11.480 -1.171 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.068 -3.483 -3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.575 -2.725 -4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.863 -4.162 -5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.245 -5.428 -3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.737 -4.151 -2.424 1.00 0.00 H new ATOM 86 N GLU A 7 -9.329 -2.181 -6.199 1.00 0.00 N ATOM 87 CA GLU A 7 -8.471 -2.282 -7.368 1.00 0.00 C ATOM 88 C GLU A 7 -7.002 -2.339 -6.945 1.00 0.00 C ATOM 89 O GLU A 7 -6.228 -3.127 -7.485 1.00 0.00 O ATOM 90 CB GLU A 7 -8.719 -1.120 -8.332 1.00 0.00 C ATOM 91 CG GLU A 7 -9.193 -1.630 -9.695 1.00 0.00 C ATOM 92 CD GLU A 7 -10.632 -1.191 -9.974 1.00 0.00 C ATOM 93 OE1 GLU A 7 -11.383 -0.894 -9.033 1.00 0.00 O ATOM 94 OE2 GLU A 7 -10.963 -1.165 -11.221 1.00 0.00 O ATOM 0 H GLU A 7 -9.725 -1.255 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.714 -3.206 -7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.466 -0.447 -7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.803 -0.542 -8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.535 -1.252 -10.478 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.129 -2.718 -9.723 1.00 0.00 H new ATOM 100 N ILE A 8 -6.663 -1.493 -5.984 1.00 0.00 N ATOM 101 CA ILE A 8 -5.300 -1.437 -5.482 1.00 0.00 C ATOM 102 C ILE A 8 -5.177 -2.338 -4.252 1.00 0.00 C ATOM 103 O ILE A 8 -4.088 -2.500 -3.703 1.00 0.00 O ATOM 104 CB ILE A 8 -4.881 0.011 -5.228 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.444 0.942 -6.305 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.361 0.130 -5.107 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.288 2.409 -5.899 1.00 0.00 C ATOM 0 H ILE A 8 -7.308 -0.840 -5.539 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.603 -1.819 -6.228 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.305 0.326 -4.275 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.928 0.766 -7.249 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.498 0.717 -6.471 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.091 1.170 -4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.013 -0.485 -4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.895 -0.211 -6.031 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.696 3.049 -6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.825 2.588 -4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.232 2.637 -5.758 1.00 0.00 H new ATOM 118 N ILE A 9 -6.309 -2.901 -3.854 1.00 0.00 N ATOM 119 CA ILE A 9 -6.341 -3.781 -2.698 1.00 0.00 C ATOM 120 C ILE A 9 -6.496 -5.229 -3.169 1.00 0.00 C ATOM 121 O ILE A 9 -5.840 -6.128 -2.646 1.00 0.00 O ATOM 122 CB ILE A 9 -7.426 -3.335 -1.715 1.00 0.00 C ATOM 123 CG1 ILE A 9 -7.130 -1.937 -1.169 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.607 -4.362 -0.596 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.763 -1.741 0.210 1.00 0.00 C ATOM 0 H ILE A 9 -7.210 -2.765 -4.311 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.401 -3.722 -2.149 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.372 -3.276 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.052 -1.790 -1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.513 -1.185 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.384 -4.021 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.897 -5.321 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.669 -4.477 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.537 -0.739 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.843 -1.865 0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.360 -2.479 0.904 1.00 0.00 H new ATOM 136 N ALA A 10 -7.365 -5.408 -4.152 1.00 0.00 N ATOM 137 CA ALA A 10 -7.614 -6.731 -4.699 1.00 0.00 C ATOM 138 C ALA A 10 -6.699 -6.960 -5.904 1.00 0.00 C ATOM 139 O ALA A 10 -6.219 -8.072 -6.121 1.00 0.00 O ATOM 140 CB ALA A 10 -9.096 -6.866 -5.058 1.00 0.00 C ATOM 0 H ALA A 10 -7.906 -4.659 -4.584 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.387 -7.500 -3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.282 -7.859 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.702 -6.724 -4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.361 -6.112 -5.799 1.00 0.00 H new ATOM 146 N GLY A 11 -6.486 -5.890 -6.656 1.00 0.00 N ATOM 147 CA GLY A 11 -5.637 -5.961 -7.833 1.00 0.00 C ATOM 148 C GLY A 11 -4.173 -6.177 -7.442 1.00 0.00 C ATOM 149 O GLY A 11 -3.474 -6.981 -8.057 1.00 0.00 O ATOM 0 H GLY A 11 -6.886 -4.970 -6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.969 -6.776 -8.477 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.731 -5.041 -8.410 1.00 0.00 H new ATOM 153 N ILE A 12 -3.753 -5.446 -6.419 1.00 0.00 N ATOM 154 CA ILE A 12 -2.385 -5.548 -5.939 1.00 0.00 C ATOM 155 C ILE A 12 -2.227 -6.843 -5.139 1.00 0.00 C ATOM 156 O ILE A 12 -1.332 -7.641 -5.415 1.00 0.00 O ATOM 157 CB ILE A 12 -1.997 -4.291 -5.158 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.911 -3.076 -6.084 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.700 -4.509 -4.377 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.648 -2.259 -5.801 1.00 0.00 C ATOM 0 H ILE A 12 -4.336 -4.781 -5.910 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.689 -5.602 -6.776 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.781 -4.086 -4.429 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.910 -3.406 -7.123 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.792 -2.449 -5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.447 -3.600 -3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.833 -5.330 -3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.106 -4.752 -5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.611 -1.401 -6.473 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.664 -1.911 -4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.232 -2.882 -5.960 1.00 0.00 H new ATOM 171 N ALA A 13 -3.106 -7.009 -4.163 1.00 0.00 N ATOM 172 CA ALA A 13 -3.075 -8.192 -3.320 1.00 0.00 C ATOM 173 C ALA A 13 -2.806 -9.424 -4.188 1.00 0.00 C ATOM 174 O ALA A 13 -1.969 -10.259 -3.847 1.00 0.00 O ATOM 175 CB ALA A 13 -4.388 -8.302 -2.543 1.00 0.00 C ATOM 0 H ALA A 13 -3.845 -6.344 -3.937 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.270 -8.121 -2.589 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.364 -9.190 -1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.518 -7.417 -1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.220 -8.378 -3.243 1.00 0.00 H new ATOM 181 N GLU A 14 -3.532 -9.498 -5.294 1.00 0.00 N ATOM 182 CA GLU A 14 -3.382 -10.614 -6.214 1.00 0.00 C ATOM 183 C GLU A 14 -1.936 -10.705 -6.706 1.00 0.00 C ATOM 184 O GLU A 14 -1.349 -11.787 -6.722 1.00 0.00 O ATOM 185 CB GLU A 14 -4.355 -10.489 -7.388 1.00 0.00 C ATOM 186 CG GLU A 14 -5.695 -11.153 -7.063 1.00 0.00 C ATOM 187 CD GLU A 14 -6.402 -11.614 -8.339 1.00 0.00 C ATOM 188 OE1 GLU A 14 -6.663 -12.815 -8.503 1.00 0.00 O ATOM 189 OE2 GLU A 14 -6.683 -10.674 -9.177 1.00 0.00 O ATOM 0 H GLU A 14 -4.225 -8.804 -5.574 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.622 -11.535 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.514 -9.436 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.922 -10.951 -8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.532 -12.006 -6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.331 -10.451 -6.524 1.00 0.00 H new ATOM 195 N ILE A 15 -1.403 -9.556 -7.096 1.00 0.00 N ATOM 196 CA ILE A 15 -0.038 -9.494 -7.588 1.00 0.00 C ATOM 197 C ILE A 15 0.924 -9.866 -6.457 1.00 0.00 C ATOM 198 O ILE A 15 1.858 -10.640 -6.660 1.00 0.00 O ATOM 199 CB ILE A 15 0.245 -8.126 -8.211 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.654 -7.881 -9.425 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.728 -7.977 -8.557 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.274 -6.580 -10.135 1.00 0.00 C ATOM 0 H ILE A 15 -1.892 -8.661 -7.081 1.00 0.00 H new ATOM 0 HA ILE A 15 0.113 -10.220 -8.387 1.00 0.00 H new ATOM 0 HB ILE A 15 0.008 -7.359 -7.474 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.569 -8.717 -10.120 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.696 -7.835 -9.107 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.902 -6.996 -8.998 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.325 -8.078 -7.651 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.015 -8.751 -9.269 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.928 -6.430 -10.994 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.383 -5.743 -9.445 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.761 -6.639 -10.473 1.00 0.00 H new ATOM 213 N ILE A 16 0.663 -9.295 -5.290 1.00 0.00 N ATOM 214 CA ILE A 16 1.494 -9.555 -4.127 1.00 0.00 C ATOM 215 C ILE A 16 1.601 -11.067 -3.911 1.00 0.00 C ATOM 216 O ILE A 16 2.625 -11.558 -3.438 1.00 0.00 O ATOM 217 CB ILE A 16 0.965 -8.796 -2.909 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.928 -7.290 -3.176 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.774 -9.137 -1.656 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.639 -6.512 -1.890 1.00 0.00 C ATOM 0 H ILE A 16 -0.112 -8.653 -5.125 1.00 0.00 H new ATOM 0 HA ILE A 16 2.505 -9.183 -4.290 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.061 -9.116 -2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.882 -6.968 -3.594 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.163 -7.068 -3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.377 -8.584 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.705 -10.207 -1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.818 -8.864 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.618 -5.444 -2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.326 -6.819 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.419 -6.718 -1.157 1.00 0.00 H new ATOM 231 N GLU A 17 0.530 -11.760 -4.266 1.00 0.00 N ATOM 232 CA GLU A 17 0.491 -13.205 -4.118 1.00 0.00 C ATOM 233 C GLU A 17 1.273 -13.877 -5.248 1.00 0.00 C ATOM 234 O GLU A 17 1.287 -15.102 -5.355 1.00 0.00 O ATOM 235 CB GLU A 17 -0.951 -13.713 -4.072 1.00 0.00 C ATOM 236 CG GLU A 17 -1.000 -15.193 -3.688 1.00 0.00 C ATOM 237 CD GLU A 17 -1.505 -16.045 -4.855 1.00 0.00 C ATOM 238 OE1 GLU A 17 -2.622 -15.826 -5.345 1.00 0.00 O ATOM 239 OE2 GLU A 17 -0.690 -16.963 -5.252 1.00 0.00 O ATOM 0 H GLU A 17 -0.318 -11.348 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 17 0.964 -13.466 -3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.523 -13.128 -3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.422 -13.570 -5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.006 -15.529 -3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.653 -15.327 -2.826 1.00 0.00 H new ATOM 245 N GLU A 18 1.907 -13.045 -6.061 1.00 0.00 N ATOM 246 CA GLU A 18 2.691 -13.543 -7.180 1.00 0.00 C ATOM 247 C GLU A 18 4.178 -13.273 -6.948 1.00 0.00 C ATOM 248 O GLU A 18 5.015 -14.141 -7.188 1.00 0.00 O ATOM 249 CB GLU A 18 2.219 -12.925 -8.497 1.00 0.00 C ATOM 250 CG GLU A 18 0.715 -13.132 -8.693 1.00 0.00 C ATOM 251 CD GLU A 18 0.438 -14.038 -9.895 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.113 -15.222 -9.716 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.569 -13.472 -11.046 1.00 0.00 O ATOM 0 H GLU A 18 1.894 -12.029 -5.968 1.00 0.00 H new ATOM 0 HA GLU A 18 2.545 -14.621 -7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.447 -11.859 -8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.763 -13.373 -9.329 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.285 -13.573 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.228 -12.168 -8.840 1.00 0.00 H new ATOM 259 N VAL A 19 4.462 -12.064 -6.485 1.00 0.00 N ATOM 260 CA VAL A 19 5.834 -11.667 -6.218 1.00 0.00 C ATOM 261 C VAL A 19 6.255 -12.194 -4.844 1.00 0.00 C ATOM 262 O VAL A 19 7.242 -12.919 -4.729 1.00 0.00 O ATOM 263 CB VAL A 19 5.975 -10.150 -6.346 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.441 -9.747 -6.515 1.00 0.00 C ATOM 265 CG2 VAL A 19 5.123 -9.615 -7.499 1.00 0.00 C ATOM 0 H VAL A 19 3.765 -11.346 -6.288 1.00 0.00 H new ATOM 0 HA VAL A 19 6.508 -12.105 -6.954 1.00 0.00 H new ATOM 0 HB VAL A 19 5.609 -9.701 -5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.512 -8.663 -6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.012 -10.079 -5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.845 -10.212 -7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.242 -8.534 -7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.444 -10.076 -8.433 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.075 -9.854 -7.318 1.00 0.00 H new ATOM 275 N THR A 20 5.485 -11.808 -3.837 1.00 0.00 N ATOM 276 CA THR A 20 5.765 -12.232 -2.476 1.00 0.00 C ATOM 277 C THR A 20 5.074 -13.564 -2.179 1.00 0.00 C ATOM 278 O THR A 20 5.495 -14.302 -1.290 1.00 0.00 O ATOM 279 CB THR A 20 5.341 -11.103 -1.533 1.00 0.00 C ATOM 280 OG1 THR A 20 3.917 -11.172 -1.527 1.00 0.00 O ATOM 281 CG2 THR A 20 5.645 -9.717 -2.105 1.00 0.00 C ATOM 0 H THR A 20 4.667 -11.206 -3.937 1.00 0.00 H new ATOM 0 HA THR A 20 6.829 -12.415 -2.330 1.00 0.00 H new ATOM 0 HB THR A 20 5.849 -11.220 -0.576 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.578 -11.004 -2.431 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.325 -8.953 -1.397 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.717 -9.623 -2.280 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.111 -9.586 -3.046 1.00 0.00 H new ATOM 289 N GLY A 21 4.022 -13.831 -2.939 1.00 0.00 N ATOM 290 CA GLY A 21 3.268 -15.061 -2.770 1.00 0.00 C ATOM 291 C GLY A 21 2.365 -14.985 -1.538 1.00 0.00 C ATOM 292 O GLY A 21 1.938 -16.011 -1.010 1.00 0.00 O ATOM 0 H GLY A 21 3.674 -13.216 -3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.663 -15.246 -3.658 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.954 -15.902 -2.671 1.00 0.00 H new ATOM 296 N ILE A 22 2.099 -13.758 -1.114 1.00 0.00 N ATOM 297 CA ILE A 22 1.254 -13.533 0.047 1.00 0.00 C ATOM 298 C ILE A 22 -0.209 -13.761 -0.340 1.00 0.00 C ATOM 299 O ILE A 22 -0.536 -13.840 -1.524 1.00 0.00 O ATOM 300 CB ILE A 22 1.523 -12.151 0.646 1.00 0.00 C ATOM 301 CG1 ILE A 22 2.973 -12.030 1.116 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.529 -11.837 1.768 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.373 -10.563 1.289 1.00 0.00 C ATOM 0 H ILE A 22 2.454 -12.909 -1.554 1.00 0.00 H new ATOM 0 HA ILE A 22 1.491 -14.248 0.835 1.00 0.00 H new ATOM 0 HB ILE A 22 1.374 -11.405 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.098 -12.559 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.634 -12.508 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.742 -10.849 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.486 -11.854 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.622 -12.584 2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.409 -10.505 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.270 -10.043 0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.725 -10.094 2.030 1.00 0.00 H new ATOM 314 N GLU A 23 -1.049 -13.862 0.679 1.00 0.00 N ATOM 315 CA GLU A 23 -2.469 -14.079 0.459 1.00 0.00 C ATOM 316 C GLU A 23 -3.116 -12.819 -0.119 1.00 0.00 C ATOM 317 O GLU A 23 -2.666 -11.707 0.150 1.00 0.00 O ATOM 318 CB GLU A 23 -3.164 -14.508 1.754 1.00 0.00 C ATOM 319 CG GLU A 23 -3.547 -15.988 1.706 1.00 0.00 C ATOM 320 CD GLU A 23 -4.898 -16.227 2.383 1.00 0.00 C ATOM 321 OE1 GLU A 23 -5.774 -15.350 2.346 1.00 0.00 O ATOM 322 OE2 GLU A 23 -5.022 -17.372 2.964 1.00 0.00 O ATOM 0 H GLU A 23 -0.774 -13.798 1.659 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.586 -14.887 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.504 -14.327 2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.057 -13.902 1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.591 -16.322 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.778 -16.582 2.200 1.00 0.00 H new ATOM 328 N PRO A 24 -4.189 -13.042 -0.924 1.00 0.00 N ATOM 329 CA PRO A 24 -4.902 -11.938 -1.543 1.00 0.00 C ATOM 330 C PRO A 24 -5.777 -11.209 -0.521 1.00 0.00 C ATOM 331 O PRO A 24 -5.735 -9.984 -0.425 1.00 0.00 O ATOM 332 CB PRO A 24 -5.705 -12.570 -2.668 1.00 0.00 C ATOM 333 CG PRO A 24 -5.776 -14.054 -2.348 1.00 0.00 C ATOM 334 CD PRO A 24 -4.749 -14.346 -1.265 1.00 0.00 C ATOM 0 HA PRO A 24 -4.233 -11.170 -1.931 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.703 -12.135 -2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.226 -12.401 -3.632 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.776 -14.324 -2.009 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.571 -14.647 -3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.211 -14.817 -0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.977 -15.027 -1.624 1.00 0.00 H new ATOM 339 N SER A 25 -6.549 -11.994 0.216 1.00 0.00 N ATOM 340 CA SER A 25 -7.432 -11.438 1.228 1.00 0.00 C ATOM 341 C SER A 25 -6.610 -10.881 2.391 1.00 0.00 C ATOM 342 O SER A 25 -7.095 -10.050 3.157 1.00 0.00 O ATOM 343 CB SER A 25 -8.422 -12.490 1.733 1.00 0.00 C ATOM 344 OG SER A 25 -9.771 -12.039 1.644 1.00 0.00 O ATOM 0 H SER A 25 -6.582 -13.010 0.133 1.00 0.00 H new ATOM 0 HA SER A 25 -8.004 -10.628 0.775 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.306 -13.405 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.190 -12.738 2.769 1.00 0.00 H new ATOM 0 HG SER A 25 -10.372 -12.739 1.974 1.00 0.00 H new ATOM 349 N GLU A 26 -5.379 -11.362 2.488 1.00 0.00 N ATOM 350 CA GLU A 26 -4.485 -10.923 3.546 1.00 0.00 C ATOM 351 C GLU A 26 -4.144 -9.441 3.371 1.00 0.00 C ATOM 352 O GLU A 26 -4.280 -8.655 4.307 1.00 0.00 O ATOM 353 CB GLU A 26 -3.217 -11.777 3.582 1.00 0.00 C ATOM 354 CG GLU A 26 -2.449 -11.565 4.889 1.00 0.00 C ATOM 355 CD GLU A 26 -0.942 -11.502 4.636 1.00 0.00 C ATOM 356 OE1 GLU A 26 -0.450 -10.517 4.063 1.00 0.00 O ATOM 357 OE2 GLU A 26 -0.275 -12.521 5.058 1.00 0.00 O ATOM 0 H GLU A 26 -4.980 -12.051 1.851 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.994 -11.048 4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.480 -12.830 3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.579 -11.522 2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.780 -10.642 5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.671 -12.377 5.581 1.00 0.00 H new ATOM 363 N ILE A 27 -3.706 -9.106 2.167 1.00 0.00 N ATOM 364 CA ILE A 27 -3.345 -7.734 1.857 1.00 0.00 C ATOM 365 C ILE A 27 -4.516 -6.811 2.201 1.00 0.00 C ATOM 366 O ILE A 27 -5.646 -7.051 1.777 1.00 0.00 O ATOM 367 CB ILE A 27 -2.877 -7.616 0.405 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.396 -7.979 0.275 1.00 0.00 C ATOM 369 CG2 ILE A 27 -3.178 -6.225 -0.158 1.00 0.00 C ATOM 370 CD1 ILE A 27 -1.029 -9.131 1.212 1.00 0.00 C ATOM 0 H ILE A 27 -3.593 -9.762 1.394 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.499 -7.418 2.467 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.438 -8.333 -0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.176 -8.259 -0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.783 -7.108 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.835 -6.169 -1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.252 -6.042 -0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.662 -5.472 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.029 -9.369 1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.227 -8.839 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.626 -10.008 0.962 1.00 0.00 H new ATOM 381 N THR A 28 -4.208 -5.776 2.968 1.00 0.00 N ATOM 382 CA THR A 28 -5.220 -4.817 3.375 1.00 0.00 C ATOM 383 C THR A 28 -4.653 -3.397 3.347 1.00 0.00 C ATOM 384 O THR A 28 -3.439 -3.211 3.277 1.00 0.00 O ATOM 385 CB THR A 28 -5.743 -5.235 4.751 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.605 -5.801 5.397 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.740 -6.393 4.672 1.00 0.00 C ATOM 0 H THR A 28 -3.270 -5.580 3.319 1.00 0.00 H new ATOM 0 HA THR A 28 -6.060 -4.811 2.680 1.00 0.00 H new ATOM 0 HB THR A 28 -6.217 -4.380 5.234 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.533 -6.750 5.162 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.080 -6.650 5.675 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.595 -6.096 4.064 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.257 -7.259 4.220 1.00 0.00 H new ATOM 395 N PRO A 29 -5.582 -2.405 3.404 1.00 0.00 N ATOM 396 CA PRO A 29 -5.186 -1.007 3.385 1.00 0.00 C ATOM 397 C PRO A 29 -4.602 -0.585 4.735 1.00 0.00 C ATOM 398 O PRO A 29 -4.899 0.501 5.232 1.00 0.00 O ATOM 399 CB PRO A 29 -6.450 -0.245 3.021 1.00 0.00 C ATOM 400 CG PRO A 29 -7.604 -1.193 3.304 1.00 0.00 C ATOM 401 CD PRO A 29 -7.028 -2.588 3.487 1.00 0.00 C ATOM 0 HA PRO A 29 -4.393 -0.804 2.665 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.540 0.667 3.611 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.438 0.054 1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.143 -0.882 4.199 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.319 -1.180 2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.319 -3.014 4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.386 -3.269 2.715 1.00 0.00 H new ATOM 406 N GLU A 30 -3.781 -1.465 5.289 1.00 0.00 N ATOM 407 CA GLU A 30 -3.152 -1.197 6.571 1.00 0.00 C ATOM 408 C GLU A 30 -1.677 -1.603 6.534 1.00 0.00 C ATOM 409 O GLU A 30 -0.988 -1.548 7.553 1.00 0.00 O ATOM 410 CB GLU A 30 -3.889 -1.912 7.705 1.00 0.00 C ATOM 411 CG GLU A 30 -5.309 -1.363 7.868 1.00 0.00 C ATOM 412 CD GLU A 30 -5.454 -0.603 9.188 1.00 0.00 C ATOM 413 OE1 GLU A 30 -5.002 0.546 9.294 1.00 0.00 O ATOM 414 OE2 GLU A 30 -6.061 -1.249 10.124 1.00 0.00 O ATOM 0 H GLU A 30 -3.537 -2.364 4.874 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.209 -0.126 6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.930 -2.982 7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.338 -1.788 8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.545 -0.701 7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.026 -2.183 7.836 1.00 0.00 H new ATOM 420 N LYS A 31 -1.235 -2.002 5.351 1.00 0.00 N ATOM 421 CA LYS A 31 0.145 -2.418 5.168 1.00 0.00 C ATOM 422 C LYS A 31 1.065 -1.209 5.353 1.00 0.00 C ATOM 423 O LYS A 31 0.602 -0.070 5.380 1.00 0.00 O ATOM 424 CB LYS A 31 0.318 -3.122 3.822 1.00 0.00 C ATOM 425 CG LYS A 31 -0.584 -4.355 3.727 1.00 0.00 C ATOM 426 CD LYS A 31 0.238 -5.617 3.459 1.00 0.00 C ATOM 427 CE LYS A 31 -0.003 -6.669 4.543 1.00 0.00 C ATOM 428 NZ LYS A 31 0.938 -7.800 4.387 1.00 0.00 N ATOM 0 H LYS A 31 -1.809 -2.046 4.509 1.00 0.00 H new ATOM 0 HA LYS A 31 0.426 -3.152 5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.081 -2.431 3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.359 -3.418 3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.145 -4.472 4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.313 -4.216 2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.026 -6.027 2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.298 -5.364 3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.120 -6.219 5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.029 -7.032 4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.738 -8.520 5.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.825 -8.218 3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.914 -7.458 4.500 1.00 0.00 H new ATOM 437 N SER A 32 2.352 -1.500 5.476 1.00 0.00 N ATOM 438 CA SER A 32 3.341 -0.451 5.657 1.00 0.00 C ATOM 439 C SER A 32 4.469 -0.614 4.636 1.00 0.00 C ATOM 440 O SER A 32 5.528 -0.002 4.772 1.00 0.00 O ATOM 441 CB SER A 32 3.907 -0.467 7.078 1.00 0.00 C ATOM 442 OG SER A 32 4.043 0.846 7.614 1.00 0.00 O ATOM 0 H SER A 32 2.732 -2.446 5.454 1.00 0.00 H new ATOM 0 HA SER A 32 2.852 0.510 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.253 -1.055 7.722 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.879 -0.960 7.075 1.00 0.00 H new ATOM 0 HG SER A 32 4.406 0.792 8.523 1.00 0.00 H new ATOM 447 N PHE A 33 4.203 -1.439 3.634 1.00 0.00 N ATOM 448 CA PHE A 33 5.182 -1.690 2.590 1.00 0.00 C ATOM 449 C PHE A 33 6.214 -2.725 3.041 1.00 0.00 C ATOM 450 O PHE A 33 6.640 -3.567 2.253 1.00 0.00 O ATOM 451 CB PHE A 33 5.894 -0.363 2.318 1.00 0.00 C ATOM 452 CG PHE A 33 6.257 -0.142 0.848 1.00 0.00 C ATOM 453 CD1 PHE A 33 7.282 -0.839 0.288 1.00 0.00 C ATOM 454 CD2 PHE A 33 5.555 0.752 0.101 1.00 0.00 C ATOM 455 CE1 PHE A 33 7.619 -0.634 -1.076 1.00 0.00 C ATOM 456 CE2 PHE A 33 5.892 0.957 -1.263 1.00 0.00 C ATOM 457 CZ PHE A 33 6.916 0.260 -1.824 1.00 0.00 C ATOM 0 H PHE A 33 3.323 -1.943 3.523 1.00 0.00 H new ATOM 0 HA PHE A 33 4.685 -2.077 1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.255 0.455 2.651 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.804 -0.321 2.917 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.840 -1.549 0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.741 1.306 0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.433 -1.187 -1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.334 1.667 -1.856 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.171 0.416 -2.862 1.00 0.00 H new ATOM 466 N VAL A 34 6.585 -2.628 4.309 1.00 0.00 N ATOM 467 CA VAL A 34 7.559 -3.546 4.877 1.00 0.00 C ATOM 468 C VAL A 34 7.099 -3.973 6.272 1.00 0.00 C ATOM 469 O VAL A 34 6.970 -5.165 6.549 1.00 0.00 O ATOM 470 CB VAL A 34 8.947 -2.903 4.876 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.614 -3.036 6.246 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.828 -3.502 3.777 1.00 0.00 C ATOM 0 H VAL A 34 6.229 -1.928 4.960 1.00 0.00 H new ATOM 0 HA VAL A 34 7.633 -4.448 4.269 1.00 0.00 H new ATOM 0 HB VAL A 34 8.824 -1.841 4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.599 -2.571 6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.001 -2.541 6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.718 -4.091 6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.809 -3.027 3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.939 -4.573 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.364 -3.332 2.806 1.00 0.00 H new ATOM 482 N ASP A 35 6.863 -2.978 7.113 1.00 0.00 N ATOM 483 CA ASP A 35 6.420 -3.235 8.472 1.00 0.00 C ATOM 484 C ASP A 35 5.443 -4.412 8.471 1.00 0.00 C ATOM 485 O ASP A 35 5.375 -5.169 9.438 1.00 0.00 O ATOM 486 CB ASP A 35 5.696 -2.021 9.056 1.00 0.00 C ATOM 487 CG ASP A 35 5.739 -1.914 10.581 1.00 0.00 C ATOM 488 OD1 ASP A 35 6.810 -2.001 11.199 1.00 0.00 O ATOM 489 OD2 ASP A 35 4.593 -1.732 11.146 1.00 0.00 O ATOM 0 H ASP A 35 6.970 -1.991 6.879 1.00 0.00 H new ATOM 0 HA ASP A 35 7.300 -3.454 9.077 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.133 -1.117 8.631 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.654 -2.051 8.738 1.00 0.00 H new ATOM 494 N ASP A 36 4.710 -4.530 7.373 1.00 0.00 N ATOM 495 CA ASP A 36 3.739 -5.602 7.234 1.00 0.00 C ATOM 496 C ASP A 36 4.270 -6.639 6.241 1.00 0.00 C ATOM 497 O ASP A 36 4.589 -7.764 6.624 1.00 0.00 O ATOM 498 CB ASP A 36 2.407 -5.073 6.697 1.00 0.00 C ATOM 499 CG ASP A 36 1.193 -5.364 7.581 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.712 -6.505 7.649 1.00 0.00 O ATOM 501 OD2 ASP A 36 0.732 -4.347 8.227 1.00 0.00 O ATOM 0 H ASP A 36 4.769 -3.901 6.572 1.00 0.00 H new ATOM 0 HA ASP A 36 3.581 -6.044 8.218 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.489 -3.995 6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.232 -5.505 5.712 1.00 0.00 H new ATOM 506 N LEU A 37 4.348 -6.223 4.986 1.00 0.00 N ATOM 507 CA LEU A 37 4.835 -7.101 3.935 1.00 0.00 C ATOM 508 C LEU A 37 6.045 -7.883 4.450 1.00 0.00 C ATOM 509 O LEU A 37 6.053 -9.113 4.418 1.00 0.00 O ATOM 510 CB LEU A 37 5.114 -6.306 2.658 1.00 0.00 C ATOM 511 CG LEU A 37 3.885 -5.780 1.913 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.294 -5.020 0.650 1.00 0.00 C ATOM 513 CD2 LEU A 37 2.904 -6.913 1.606 1.00 0.00 C ATOM 0 H LEU A 37 4.082 -5.289 4.673 1.00 0.00 H new ATOM 0 HA LEU A 37 4.073 -7.833 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.750 -5.458 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.684 -6.938 1.977 1.00 0.00 H new ATOM 0 HG LEU A 37 3.369 -5.073 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.402 -4.657 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.926 -4.175 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.846 -5.686 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.040 -6.512 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.396 -7.661 0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.577 -7.374 2.538 1.00 0.00 H new ATOM 524 N ASP A 38 7.038 -7.138 4.912 1.00 0.00 N ATOM 525 CA ASP A 38 8.251 -7.746 5.432 1.00 0.00 C ATOM 526 C ASP A 38 9.012 -8.417 4.288 1.00 0.00 C ATOM 527 O ASP A 38 9.946 -9.182 4.524 1.00 0.00 O ATOM 528 CB ASP A 38 7.925 -8.816 6.476 1.00 0.00 C ATOM 529 CG ASP A 38 8.890 -8.877 7.663 1.00 0.00 C ATOM 530 OD1 ASP A 38 9.818 -9.698 7.689 1.00 0.00 O ATOM 531 OD2 ASP A 38 8.656 -8.023 8.601 1.00 0.00 O ATOM 0 H ASP A 38 7.028 -6.118 4.937 1.00 0.00 H new ATOM 0 HA ASP A 38 8.851 -6.962 5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.918 -8.638 6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.914 -9.789 5.986 1.00 0.00 H new ATOM 536 N ILE A 39 8.583 -8.107 3.072 1.00 0.00 N ATOM 537 CA ILE A 39 9.213 -8.672 1.891 1.00 0.00 C ATOM 538 C ILE A 39 10.285 -7.707 1.380 1.00 0.00 C ATOM 539 O ILE A 39 11.161 -8.098 0.610 1.00 0.00 O ATOM 540 CB ILE A 39 8.158 -9.030 0.842 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.578 -10.265 0.042 1.00 0.00 C ATOM 542 CG2 ILE A 39 7.857 -7.835 -0.064 1.00 0.00 C ATOM 543 CD1 ILE A 39 9.956 -10.064 -0.593 1.00 0.00 C ATOM 0 H ILE A 39 7.808 -7.473 2.880 1.00 0.00 H new ATOM 0 HA ILE A 39 9.716 -9.607 2.137 1.00 0.00 H new ATOM 0 HB ILE A 39 7.233 -9.281 1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.599 -11.137 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.841 -10.467 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.104 -8.117 -0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.483 -7.007 0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.769 -7.528 -0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.231 -10.956 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.925 -9.206 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.694 -9.886 0.189 1.00 0.00 H new ATOM 554 N ASP A 40 10.182 -6.465 1.830 1.00 0.00 N ATOM 555 CA ASP A 40 11.131 -5.442 1.428 1.00 0.00 C ATOM 556 C ASP A 40 10.627 -4.755 0.156 1.00 0.00 C ATOM 557 O ASP A 40 9.503 -4.997 -0.280 1.00 0.00 O ATOM 558 CB ASP A 40 12.501 -6.051 1.125 1.00 0.00 C ATOM 559 CG ASP A 40 13.689 -5.111 1.343 1.00 0.00 C ATOM 560 OD1 ASP A 40 13.525 -3.886 1.436 1.00 0.00 O ATOM 561 OD2 ASP A 40 14.838 -5.693 1.416 1.00 0.00 O ATOM 0 H ASP A 40 9.455 -6.144 2.470 1.00 0.00 H new ATOM 0 HA ASP A 40 11.226 -4.730 2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.636 -6.934 1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.510 -6.390 0.089 1.00 0.00 H new ATOM 566 N SER A 41 11.483 -3.913 -0.402 1.00 0.00 N ATOM 567 CA SER A 41 11.139 -3.190 -1.615 1.00 0.00 C ATOM 568 C SER A 41 11.542 -4.008 -2.843 1.00 0.00 C ATOM 569 O SER A 41 11.286 -3.600 -3.976 1.00 0.00 O ATOM 570 CB SER A 41 11.813 -1.817 -1.647 1.00 0.00 C ATOM 571 OG SER A 41 13.229 -1.920 -1.769 1.00 0.00 O ATOM 0 H SER A 41 12.415 -3.715 -0.037 1.00 0.00 H new ATOM 0 HA SER A 41 10.060 -3.035 -1.627 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.418 -1.239 -2.482 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.566 -1.271 -0.737 1.00 0.00 H new ATOM 0 HG SER A 41 13.622 -1.022 -1.788 1.00 0.00 H new ATOM 576 N LEU A 42 12.164 -5.147 -2.579 1.00 0.00 N ATOM 577 CA LEU A 42 12.605 -6.025 -3.649 1.00 0.00 C ATOM 578 C LEU A 42 11.383 -6.555 -4.403 1.00 0.00 C ATOM 579 O LEU A 42 11.213 -6.276 -5.589 1.00 0.00 O ATOM 580 CB LEU A 42 13.513 -7.127 -3.099 1.00 0.00 C ATOM 581 CG LEU A 42 14.957 -7.121 -3.605 1.00 0.00 C ATOM 582 CD1 LEU A 42 15.921 -7.593 -2.516 1.00 0.00 C ATOM 583 CD2 LEU A 42 15.092 -7.944 -4.888 1.00 0.00 C ATOM 0 H LEU A 42 12.373 -5.483 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 42 13.211 -5.474 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.530 -7.048 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.068 -8.092 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 42 15.229 -6.095 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.940 -7.579 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.850 -6.929 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.661 -8.608 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.128 -7.923 -5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.795 -8.974 -4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.450 -7.522 -5.661 1.00 0.00 H new ATOM 594 N SER A 43 10.566 -7.310 -3.685 1.00 0.00 N ATOM 595 CA SER A 43 9.365 -7.882 -4.271 1.00 0.00 C ATOM 596 C SER A 43 8.386 -6.768 -4.647 1.00 0.00 C ATOM 597 O SER A 43 7.957 -6.675 -5.795 1.00 0.00 O ATOM 598 CB SER A 43 8.701 -8.872 -3.312 1.00 0.00 C ATOM 599 OG SER A 43 7.738 -9.689 -3.971 1.00 0.00 O ATOM 0 H SER A 43 10.712 -7.540 -2.702 1.00 0.00 H new ATOM 0 HA SER A 43 9.649 -8.427 -5.171 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.464 -9.505 -2.859 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.219 -8.324 -2.502 1.00 0.00 H new ATOM 0 HG SER A 43 8.089 -10.600 -4.062 1.00 0.00 H new ATOM 604 N MET A 44 8.059 -5.951 -3.655 1.00 0.00 N ATOM 605 CA MET A 44 7.138 -4.849 -3.866 1.00 0.00 C ATOM 606 C MET A 44 7.455 -4.111 -5.170 1.00 0.00 C ATOM 607 O MET A 44 6.548 -3.685 -5.882 1.00 0.00 O ATOM 608 CB MET A 44 7.232 -3.872 -2.692 1.00 0.00 C ATOM 609 CG MET A 44 6.250 -4.255 -1.582 1.00 0.00 C ATOM 610 SD MET A 44 4.646 -3.550 -1.916 1.00 0.00 S ATOM 611 CE MET A 44 4.753 -2.058 -0.941 1.00 0.00 C ATOM 0 H MET A 44 8.416 -6.032 -2.703 1.00 0.00 H new ATOM 0 HA MET A 44 6.128 -5.253 -3.934 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.248 -3.867 -2.298 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.020 -2.860 -3.038 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.172 -5.340 -1.513 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.619 -3.900 -0.620 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.843 -1.942 -0.352 1.00 0.00 H new ATOM 0 HE2 MET A 44 5.612 -2.120 -0.273 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.869 -1.199 -1.602 1.00 0.00 H new ATOM 619 N VAL A 45 8.745 -3.984 -5.441 1.00 0.00 N ATOM 620 CA VAL A 45 9.193 -3.306 -6.646 1.00 0.00 C ATOM 621 C VAL A 45 8.532 -3.952 -7.864 1.00 0.00 C ATOM 622 O VAL A 45 8.168 -3.263 -8.817 1.00 0.00 O ATOM 623 CB VAL A 45 10.721 -3.319 -6.716 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.202 -3.468 -8.160 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.311 -2.065 -6.068 1.00 0.00 C ATOM 0 H VAL A 45 9.495 -4.339 -4.847 1.00 0.00 H new ATOM 0 HA VAL A 45 8.891 -2.259 -6.630 1.00 0.00 H new ATOM 0 HB VAL A 45 11.074 -4.184 -6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.292 -3.474 -8.182 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.825 -4.403 -8.574 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.832 -2.633 -8.755 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.399 -2.100 -6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.945 -1.180 -6.589 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.010 -2.020 -5.021 1.00 0.00 H new ATOM 635 N GLU A 46 8.400 -5.269 -7.798 1.00 0.00 N ATOM 636 CA GLU A 46 7.790 -6.016 -8.884 1.00 0.00 C ATOM 637 C GLU A 46 6.281 -5.763 -8.921 1.00 0.00 C ATOM 638 O GLU A 46 5.736 -5.392 -9.960 1.00 0.00 O ATOM 639 CB GLU A 46 8.091 -7.511 -8.758 1.00 0.00 C ATOM 640 CG GLU A 46 8.908 -8.007 -9.953 1.00 0.00 C ATOM 641 CD GLU A 46 10.357 -8.286 -9.547 1.00 0.00 C ATOM 642 OE1 GLU A 46 10.826 -7.766 -8.524 1.00 0.00 O ATOM 643 OE2 GLU A 46 11.001 -9.076 -10.339 1.00 0.00 O ATOM 0 H GLU A 46 8.706 -5.838 -7.008 1.00 0.00 H new ATOM 0 HA GLU A 46 8.220 -5.669 -9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.639 -7.699 -7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.157 -8.070 -8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.458 -8.915 -10.355 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.886 -7.262 -10.748 1.00 0.00 H new ATOM 649 N ILE A 47 5.649 -5.972 -7.777 1.00 0.00 N ATOM 650 CA ILE A 47 4.214 -5.771 -7.666 1.00 0.00 C ATOM 651 C ILE A 47 3.818 -4.515 -8.445 1.00 0.00 C ATOM 652 O ILE A 47 2.820 -4.517 -9.165 1.00 0.00 O ATOM 653 CB ILE A 47 3.790 -5.741 -6.195 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.651 -7.159 -5.636 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.508 -4.925 -6.011 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.510 -7.339 -4.382 1.00 0.00 C ATOM 0 H ILE A 47 6.104 -6.279 -6.917 1.00 0.00 H new ATOM 0 HA ILE A 47 3.676 -6.607 -8.113 1.00 0.00 H new ATOM 0 HB ILE A 47 4.574 -5.244 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.606 -7.359 -5.398 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.950 -7.884 -6.393 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.228 -4.919 -4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.677 -3.902 -6.347 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.705 -5.372 -6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.394 -8.355 -4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.557 -7.161 -4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.192 -6.629 -3.618 1.00 0.00 H new ATOM 667 N ALA A 48 4.621 -3.474 -8.277 1.00 0.00 N ATOM 668 CA ALA A 48 4.366 -2.216 -8.957 1.00 0.00 C ATOM 669 C ALA A 48 4.748 -2.351 -10.431 1.00 0.00 C ATOM 670 O ALA A 48 3.956 -2.026 -11.314 1.00 0.00 O ATOM 671 CB ALA A 48 5.134 -1.093 -8.256 1.00 0.00 C ATOM 0 H ALA A 48 5.448 -3.476 -7.680 1.00 0.00 H new ATOM 0 HA ALA A 48 3.306 -1.964 -8.913 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.943 -0.149 -8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.805 -1.019 -7.220 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.202 -1.311 -8.283 1.00 0.00 H new ATOM 677 N VAL A 49 5.963 -2.832 -10.654 1.00 0.00 N ATOM 678 CA VAL A 49 6.460 -3.014 -12.007 1.00 0.00 C ATOM 679 C VAL A 49 5.381 -3.692 -12.855 1.00 0.00 C ATOM 680 O VAL A 49 5.349 -3.526 -14.072 1.00 0.00 O ATOM 681 CB VAL A 49 7.777 -3.793 -11.981 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.560 -5.250 -12.394 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.829 -3.122 -12.866 1.00 0.00 C ATOM 0 H VAL A 49 6.618 -3.101 -9.920 1.00 0.00 H new ATOM 0 HA VAL A 49 6.677 -2.050 -12.467 1.00 0.00 H new ATOM 0 HB VAL A 49 8.150 -3.787 -10.957 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.511 -5.781 -12.367 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.860 -5.723 -11.705 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.153 -5.285 -13.405 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.755 -3.696 -12.829 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.468 -3.081 -13.894 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.015 -2.110 -12.507 1.00 0.00 H new ATOM 693 N GLN A 50 4.524 -4.442 -12.176 1.00 0.00 N ATOM 694 CA GLN A 50 3.448 -5.145 -12.852 1.00 0.00 C ATOM 695 C GLN A 50 2.215 -4.246 -12.964 1.00 0.00 C ATOM 696 O GLN A 50 1.763 -3.943 -14.067 1.00 0.00 O ATOM 697 CB GLN A 50 3.109 -6.452 -12.131 1.00 0.00 C ATOM 698 CG GLN A 50 4.332 -7.368 -12.056 1.00 0.00 C ATOM 699 CD GLN A 50 3.937 -8.773 -11.594 1.00 0.00 C ATOM 700 OE1 GLN A 50 4.180 -9.007 -10.308 1.00 0.00 O flip ATOM 701 NE2 GLN A 50 3.444 -9.589 -12.355 1.00 0.00 N flip ATOM 0 H GLN A 50 4.554 -4.577 -11.165 1.00 0.00 H new ATOM 0 HA GLN A 50 3.782 -5.399 -13.858 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.751 -6.234 -11.125 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.300 -6.961 -12.654 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.810 -7.424 -13.034 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.064 -6.947 -11.367 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.284 -9.344 -13.332 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.192 -10.517 -12.014 1.00 0.00 H new ATOM 708 N THR A 51 1.706 -3.846 -11.808 1.00 0.00 N ATOM 709 CA THR A 51 0.535 -2.988 -11.763 1.00 0.00 C ATOM 710 C THR A 51 0.739 -1.759 -12.651 1.00 0.00 C ATOM 711 O THR A 51 -0.190 -1.312 -13.322 1.00 0.00 O ATOM 712 CB THR A 51 0.260 -2.640 -10.299 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.663 -3.639 -9.873 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.512 -1.328 -10.144 1.00 0.00 C ATOM 0 H THR A 51 2.084 -4.101 -10.895 1.00 0.00 H new ATOM 0 HA THR A 51 -0.343 -3.496 -12.162 1.00 0.00 H new ATOM 0 HB THR A 51 1.204 -2.571 -9.758 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.653 -3.698 -8.895 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.681 -1.128 -9.086 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.065 -0.513 -10.580 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.471 -1.408 -10.656 1.00 0.00 H new ATOM 722 N GLU A 52 1.961 -1.248 -12.627 1.00 0.00 N ATOM 723 CA GLU A 52 2.300 -0.079 -13.423 1.00 0.00 C ATOM 724 C GLU A 52 2.412 -0.458 -14.901 1.00 0.00 C ATOM 725 O GLU A 52 2.659 0.400 -15.747 1.00 0.00 O ATOM 726 CB GLU A 52 3.593 0.567 -12.923 1.00 0.00 C ATOM 727 CG GLU A 52 3.304 1.602 -11.833 1.00 0.00 C ATOM 728 CD GLU A 52 4.171 1.354 -10.598 1.00 0.00 C ATOM 729 OE1 GLU A 52 5.389 1.582 -10.638 1.00 0.00 O ATOM 730 OE2 GLU A 52 3.536 0.908 -9.566 1.00 0.00 O ATOM 0 H GLU A 52 2.729 -1.621 -12.069 1.00 0.00 H new ATOM 0 HA GLU A 52 1.501 0.654 -13.316 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.260 -0.201 -12.532 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.110 1.045 -13.755 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.492 2.604 -12.219 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.250 1.560 -11.557 1.00 0.00 H new ATOM 736 N ASP A 53 2.222 -1.742 -15.166 1.00 0.00 N ATOM 737 CA ASP A 53 2.299 -2.244 -16.528 1.00 0.00 C ATOM 738 C ASP A 53 0.948 -2.845 -16.922 1.00 0.00 C ATOM 739 O ASP A 53 0.277 -2.337 -17.819 1.00 0.00 O ATOM 740 CB ASP A 53 3.358 -3.341 -16.652 1.00 0.00 C ATOM 741 CG ASP A 53 4.316 -3.183 -17.834 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.545 -3.200 -17.667 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.746 -3.037 -18.982 1.00 0.00 O ATOM 0 H ASP A 53 2.015 -2.450 -14.461 1.00 0.00 H new ATOM 0 HA ASP A 53 2.564 -1.412 -17.180 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.941 -3.368 -15.732 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.854 -4.304 -16.738 1.00 0.00 H new ATOM 748 N LYS A 54 0.590 -3.918 -16.232 1.00 0.00 N ATOM 749 CA LYS A 54 -0.669 -4.594 -16.499 1.00 0.00 C ATOM 750 C LYS A 54 -1.783 -3.553 -16.627 1.00 0.00 C ATOM 751 O LYS A 54 -2.650 -3.670 -17.491 1.00 0.00 O ATOM 752 CB LYS A 54 -0.941 -5.659 -15.435 1.00 0.00 C ATOM 753 CG LYS A 54 -0.404 -7.022 -15.875 1.00 0.00 C ATOM 754 CD LYS A 54 -0.114 -7.913 -14.666 1.00 0.00 C ATOM 755 CE LYS A 54 0.823 -9.062 -15.044 1.00 0.00 C ATOM 756 NZ LYS A 54 0.335 -10.338 -14.475 1.00 0.00 N ATOM 0 H LYS A 54 1.149 -4.336 -15.489 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.622 -5.129 -17.447 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.474 -5.366 -14.495 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.013 -5.729 -15.251 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.130 -7.510 -16.525 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.507 -6.887 -16.459 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.336 -7.318 -13.871 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.048 -8.315 -14.273 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.889 -9.143 -16.129 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.828 -8.855 -14.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.983 -11.107 -14.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.294 -10.263 -13.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.615 -10.542 -14.845 1.00 0.00 H new ATOM 765 N TYR A 55 -1.724 -2.558 -15.753 1.00 0.00 N ATOM 766 CA TYR A 55 -2.718 -1.499 -15.758 1.00 0.00 C ATOM 767 C TYR A 55 -2.156 -0.222 -16.384 1.00 0.00 C ATOM 768 O TYR A 55 -2.828 0.433 -17.179 1.00 0.00 O ATOM 769 CB TYR A 55 -3.052 -1.227 -14.289 1.00 0.00 C ATOM 770 CG TYR A 55 -4.457 -1.673 -13.877 1.00 0.00 C ATOM 771 CD1 TYR A 55 -5.556 -1.224 -14.579 1.00 0.00 C ATOM 772 CD2 TYR A 55 -4.623 -2.524 -12.804 1.00 0.00 C ATOM 773 CE1 TYR A 55 -6.878 -1.644 -14.191 1.00 0.00 C ATOM 774 CE2 TYR A 55 -5.945 -2.944 -12.416 1.00 0.00 C ATOM 775 CZ TYR A 55 -7.007 -2.482 -13.129 1.00 0.00 C ATOM 776 OH TYR A 55 -8.255 -2.878 -12.763 1.00 0.00 O ATOM 0 H TYR A 55 -1.003 -2.464 -15.037 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.592 -1.796 -16.338 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.321 -1.736 -13.661 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.950 -0.159 -14.095 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.425 -0.558 -15.419 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.762 -2.875 -12.255 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.747 -1.301 -14.732 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.090 -3.610 -11.578 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.195 -3.476 -11.989 1.00 0.00 H new ATOM 785 N GLY A 56 -0.926 0.094 -16.004 1.00 0.00 N ATOM 786 CA GLY A 56 -0.265 1.281 -16.519 1.00 0.00 C ATOM 787 C GLY A 56 -0.408 2.454 -15.547 1.00 0.00 C ATOM 788 O GLY A 56 -0.552 3.600 -15.970 1.00 0.00 O ATOM 0 H GLY A 56 -0.370 -0.452 -15.345 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.791 1.070 -16.686 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.693 1.550 -17.485 1.00 0.00 H new ATOM 792 N VAL A 57 -0.365 2.126 -14.265 1.00 0.00 N ATOM 793 CA VAL A 57 -0.488 3.139 -13.230 1.00 0.00 C ATOM 794 C VAL A 57 0.714 4.083 -13.299 1.00 0.00 C ATOM 795 O VAL A 57 1.562 3.950 -14.181 1.00 0.00 O ATOM 796 CB VAL A 57 -0.645 2.472 -11.862 1.00 0.00 C ATOM 797 CG1 VAL A 57 -1.331 3.412 -10.869 1.00 0.00 C ATOM 798 CG2 VAL A 57 -1.407 1.150 -11.980 1.00 0.00 C ATOM 0 H VAL A 57 -0.247 1.174 -13.919 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.383 3.740 -13.390 1.00 0.00 H new ATOM 0 HB VAL A 57 0.352 2.251 -11.481 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.430 2.913 -9.905 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.733 4.315 -10.750 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.320 3.678 -11.243 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.504 0.697 -10.993 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.398 1.337 -12.393 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.862 0.473 -12.638 1.00 0.00 H new ATOM 808 N LYS A 58 0.750 5.015 -12.358 1.00 0.00 N ATOM 809 CA LYS A 58 1.834 5.980 -12.302 1.00 0.00 C ATOM 810 C LYS A 58 2.394 6.030 -10.879 1.00 0.00 C ATOM 811 O LYS A 58 1.817 6.674 -10.003 1.00 0.00 O ATOM 812 CB LYS A 58 1.369 7.340 -12.827 1.00 0.00 C ATOM 813 CG LYS A 58 2.411 8.423 -12.544 1.00 0.00 C ATOM 814 CD LYS A 58 1.766 9.650 -11.899 1.00 0.00 C ATOM 815 CE LYS A 58 1.228 9.318 -10.506 1.00 0.00 C ATOM 816 NZ LYS A 58 2.344 9.067 -9.566 1.00 0.00 N ATOM 0 H LYS A 58 0.046 5.122 -11.628 1.00 0.00 H new ATOM 0 HA LYS A 58 2.650 5.673 -12.956 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.187 7.277 -13.900 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.422 7.610 -12.359 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.184 8.026 -11.886 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.902 8.712 -13.473 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.498 10.455 -11.828 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.954 10.012 -12.530 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.615 10.142 -10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.584 8.440 -10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.154 9.551 -8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.433 8.045 -9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.229 9.429 -9.974 1.00 0.00 H new ATOM 825 N ILE A 59 3.510 5.341 -10.691 1.00 0.00 N ATOM 826 CA ILE A 59 4.154 5.299 -9.390 1.00 0.00 C ATOM 827 C ILE A 59 5.651 5.043 -9.574 1.00 0.00 C ATOM 828 O ILE A 59 6.125 3.928 -9.361 1.00 0.00 O ATOM 829 CB ILE A 59 3.463 4.278 -8.484 1.00 0.00 C ATOM 830 CG1 ILE A 59 1.966 4.573 -8.367 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.142 4.212 -7.114 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.305 3.657 -7.336 1.00 0.00 C ATOM 0 H ILE A 59 3.985 4.807 -11.419 1.00 0.00 H new ATOM 0 HA ILE A 59 4.055 6.260 -8.885 1.00 0.00 H new ATOM 0 HB ILE A 59 3.563 3.294 -8.941 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.818 5.614 -8.081 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.488 4.438 -9.337 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.631 3.479 -6.490 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.185 3.919 -7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.094 5.191 -6.637 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.242 3.888 -7.273 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.433 2.617 -7.638 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.768 3.812 -6.362 1.00 0.00 H new ATOM 843 N PRO A 60 6.373 6.123 -9.979 1.00 0.00 N ATOM 844 CA PRO A 60 7.807 6.026 -10.195 1.00 0.00 C ATOM 845 C PRO A 60 8.560 5.979 -8.863 1.00 0.00 C ATOM 846 O PRO A 60 7.971 6.196 -7.805 1.00 0.00 O ATOM 847 CB PRO A 60 8.161 7.242 -11.033 1.00 0.00 C ATOM 848 CG PRO A 60 7.005 8.216 -10.866 1.00 0.00 C ATOM 849 CD PRO A 60 5.845 7.458 -10.241 1.00 0.00 C ATOM 0 HA PRO A 60 8.094 5.108 -10.707 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.098 7.687 -10.698 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.294 6.969 -12.080 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.299 9.053 -10.233 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.714 8.632 -11.830 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.508 7.938 -9.322 1.00 0.00 H new ATOM 0 HD3 PRO A 60 4.988 7.420 -10.914 1.00 0.00 H new ATOM 854 N ASP A 61 9.849 5.693 -8.959 1.00 0.00 N ATOM 855 CA ASP A 61 10.689 5.613 -7.775 1.00 0.00 C ATOM 856 C ASP A 61 10.673 6.963 -7.054 1.00 0.00 C ATOM 857 O ASP A 61 10.622 7.013 -5.826 1.00 0.00 O ATOM 858 CB ASP A 61 12.137 5.293 -8.148 1.00 0.00 C ATOM 859 CG ASP A 61 12.575 3.855 -7.865 1.00 0.00 C ATOM 860 OD1 ASP A 61 12.406 2.958 -8.704 1.00 0.00 O ATOM 861 OD2 ASP A 61 13.118 3.667 -6.710 1.00 0.00 O ATOM 0 H ASP A 61 10.334 5.514 -9.838 1.00 0.00 H new ATOM 0 HA ASP A 61 10.299 4.821 -7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.276 5.497 -9.210 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.795 5.971 -7.604 1.00 0.00 H new ATOM 866 N GLU A 62 10.720 8.022 -7.847 1.00 0.00 N ATOM 867 CA GLU A 62 10.712 9.368 -7.299 1.00 0.00 C ATOM 868 C GLU A 62 9.558 9.531 -6.307 1.00 0.00 C ATOM 869 O GLU A 62 9.588 10.418 -5.455 1.00 0.00 O ATOM 870 CB GLU A 62 10.628 10.414 -8.413 1.00 0.00 C ATOM 871 CG GLU A 62 11.941 10.488 -9.194 1.00 0.00 C ATOM 872 CD GLU A 62 12.292 11.937 -9.542 1.00 0.00 C ATOM 873 OE1 GLU A 62 11.391 12.746 -9.806 1.00 0.00 O ATOM 874 OE2 GLU A 62 13.553 12.210 -9.529 1.00 0.00 O ATOM 0 H GLU A 62 10.764 7.976 -8.865 1.00 0.00 H new ATOM 0 HA GLU A 62 11.649 9.527 -6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.811 10.165 -9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.400 11.390 -7.984 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.744 10.047 -8.604 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.858 9.901 -10.108 1.00 0.00 H new ATOM 880 N ASP A 63 8.568 8.661 -6.452 1.00 0.00 N ATOM 881 CA ASP A 63 7.407 8.697 -5.580 1.00 0.00 C ATOM 882 C ASP A 63 7.388 7.438 -4.711 1.00 0.00 C ATOM 883 O ASP A 63 6.960 7.480 -3.558 1.00 0.00 O ATOM 884 CB ASP A 63 6.110 8.733 -6.390 1.00 0.00 C ATOM 885 CG ASP A 63 5.329 10.045 -6.303 1.00 0.00 C ATOM 886 OD1 ASP A 63 5.725 10.978 -5.588 1.00 0.00 O ATOM 887 OD2 ASP A 63 4.256 10.090 -7.017 1.00 0.00 O ATOM 0 H ASP A 63 8.547 7.927 -7.160 1.00 0.00 H new ATOM 0 HA ASP A 63 7.474 9.596 -4.967 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.347 8.538 -7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.466 7.921 -6.052 1.00 0.00 H new ATOM 892 N LEU A 64 7.856 6.346 -5.299 1.00 0.00 N ATOM 893 CA LEU A 64 7.897 5.077 -4.593 1.00 0.00 C ATOM 894 C LEU A 64 8.704 5.240 -3.303 1.00 0.00 C ATOM 895 O LEU A 64 8.601 4.420 -2.393 1.00 0.00 O ATOM 896 CB LEU A 64 8.422 3.970 -5.510 1.00 0.00 C ATOM 897 CG LEU A 64 7.973 2.548 -5.171 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.775 1.985 -3.996 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.465 2.495 -4.912 1.00 0.00 C ATOM 0 H LEU A 64 8.210 6.314 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 64 6.892 4.771 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.112 4.194 -6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.512 3.999 -5.494 1.00 0.00 H new ATOM 0 HG LEU A 64 8.174 1.913 -6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.436 0.973 -3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.834 1.965 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.628 2.616 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.173 1.472 -4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.216 3.148 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.931 2.827 -5.803 1.00 0.00 H new ATOM 910 N ALA A 65 9.491 6.307 -3.267 1.00 0.00 N ATOM 911 CA ALA A 65 10.315 6.588 -2.104 1.00 0.00 C ATOM 912 C ALA A 65 9.432 7.124 -0.976 1.00 0.00 C ATOM 913 O ALA A 65 9.608 6.754 0.183 1.00 0.00 O ATOM 914 CB ALA A 65 11.425 7.568 -2.491 1.00 0.00 C ATOM 0 H ALA A 65 9.575 6.986 -4.024 1.00 0.00 H new ATOM 0 HA ALA A 65 10.794 5.678 -1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.044 7.780 -1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.041 7.129 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.982 8.495 -2.855 1.00 0.00 H new ATOM 920 N GLY A 66 8.501 7.987 -1.355 1.00 0.00 N ATOM 921 CA GLY A 66 7.589 8.578 -0.390 1.00 0.00 C ATOM 922 C GLY A 66 6.568 7.549 0.099 1.00 0.00 C ATOM 923 O GLY A 66 6.312 7.444 1.298 1.00 0.00 O ATOM 0 H GLY A 66 8.358 8.292 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.153 8.968 0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.071 9.423 -0.844 1.00 0.00 H new ATOM 927 N LEU A 67 6.010 6.818 -0.854 1.00 0.00 N ATOM 928 CA LEU A 67 5.020 5.802 -0.535 1.00 0.00 C ATOM 929 C LEU A 67 5.453 5.053 0.726 1.00 0.00 C ATOM 930 O LEU A 67 6.557 4.513 0.785 1.00 0.00 O ATOM 931 CB LEU A 67 4.783 4.889 -1.740 1.00 0.00 C ATOM 932 CG LEU A 67 4.225 5.565 -2.995 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.722 4.529 -4.000 1.00 0.00 C ATOM 934 CD2 LEU A 67 3.143 6.585 -2.632 1.00 0.00 C ATOM 0 H LEU A 67 6.224 6.908 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 67 4.057 6.264 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.727 4.410 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.095 4.098 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 67 5.035 6.112 -3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.331 5.037 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.545 3.876 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.931 3.934 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.763 7.051 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.327 6.081 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.568 7.350 -1.982 1.00 0.00 H new ATOM 945 N ARG A 68 4.562 5.045 1.707 1.00 0.00 N ATOM 946 CA ARG A 68 4.838 4.372 2.964 1.00 0.00 C ATOM 947 C ARG A 68 3.862 3.211 3.170 1.00 0.00 C ATOM 948 O ARG A 68 4.254 2.140 3.630 1.00 0.00 O ATOM 949 CB ARG A 68 4.724 5.339 4.144 1.00 0.00 C ATOM 950 CG ARG A 68 6.093 5.594 4.777 1.00 0.00 C ATOM 951 CD ARG A 68 6.033 5.435 6.298 1.00 0.00 C ATOM 952 NE ARG A 68 6.849 4.275 6.718 1.00 0.00 N ATOM 953 CZ ARG A 68 8.195 4.222 6.621 1.00 0.00 C ATOM 954 NH1 ARG A 68 8.887 5.264 6.116 1.00 0.00 N ATOM 955 NH2 ARG A 68 8.823 3.134 7.028 1.00 0.00 N ATOM 0 H ARG A 68 3.648 5.494 1.656 1.00 0.00 H new ATOM 0 HA ARG A 68 5.858 3.991 2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.294 6.282 3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.045 4.929 4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.824 4.899 4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.432 6.599 4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.398 6.341 6.781 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.000 5.298 6.617 1.00 0.00 H new ATOM 0 HE ARG A 68 6.365 3.465 7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.394 6.100 5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.903 5.215 6.046 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.292 2.351 7.408 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.839 3.077 6.962 1.00 0.00 H new ATOM 964 N THR A 69 2.609 3.464 2.821 1.00 0.00 N ATOM 965 CA THR A 69 1.574 2.454 2.962 1.00 0.00 C ATOM 966 C THR A 69 0.675 2.435 1.723 1.00 0.00 C ATOM 967 O THR A 69 0.743 3.336 0.889 1.00 0.00 O ATOM 968 CB THR A 69 0.814 2.734 4.259 1.00 0.00 C ATOM 969 OG1 THR A 69 0.424 4.101 4.146 1.00 0.00 O ATOM 970 CG2 THR A 69 1.724 2.707 5.489 1.00 0.00 C ATOM 0 H THR A 69 2.287 4.354 2.441 1.00 0.00 H new ATOM 0 HA THR A 69 2.003 1.454 3.029 1.00 0.00 H new ATOM 0 HB THR A 69 0.019 1.998 4.379 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.077 4.365 4.946 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.134 2.912 6.382 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.187 1.724 5.577 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.500 3.466 5.384 1.00 0.00 H new ATOM 978 N VAL A 70 -0.145 1.397 1.643 1.00 0.00 N ATOM 979 CA VAL A 70 -1.055 1.249 0.521 1.00 0.00 C ATOM 980 C VAL A 70 -1.804 2.564 0.299 1.00 0.00 C ATOM 981 O VAL A 70 -1.927 3.030 -0.832 1.00 0.00 O ATOM 982 CB VAL A 70 -1.990 0.061 0.759 1.00 0.00 C ATOM 983 CG1 VAL A 70 -2.765 -0.290 -0.513 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.215 -1.150 1.282 1.00 0.00 C ATOM 0 H VAL A 70 -0.198 0.651 2.337 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.502 1.033 -0.393 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.713 0.350 1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.422 -1.137 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.362 0.568 -0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.064 -0.551 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.903 -1.980 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.459 -1.441 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.730 -0.893 2.224 1.00 0.00 H new ATOM 994 N GLY A 71 -2.287 3.126 1.398 1.00 0.00 N ATOM 995 CA GLY A 71 -3.021 4.378 1.339 1.00 0.00 C ATOM 996 C GLY A 71 -2.213 5.452 0.609 1.00 0.00 C ATOM 997 O GLY A 71 -2.774 6.269 -0.120 1.00 0.00 O ATOM 0 H GLY A 71 -2.184 2.736 2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.972 4.223 0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.253 4.716 2.349 1.00 0.00 H new ATOM 1001 N ASP A 72 -0.907 5.419 0.830 1.00 0.00 N ATOM 1002 CA ASP A 72 -0.015 6.379 0.203 1.00 0.00 C ATOM 1003 C ASP A 72 0.317 5.910 -1.215 1.00 0.00 C ATOM 1004 O ASP A 72 0.498 6.726 -2.117 1.00 0.00 O ATOM 1005 CB ASP A 72 1.296 6.503 0.980 1.00 0.00 C ATOM 1006 CG ASP A 72 1.931 7.895 0.958 1.00 0.00 C ATOM 1007 OD1 ASP A 72 3.162 8.034 0.886 1.00 0.00 O ATOM 1008 OD2 ASP A 72 1.097 8.877 1.020 1.00 0.00 O ATOM 0 H ASP A 72 -0.445 4.741 1.436 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.517 7.346 0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.115 6.219 2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.011 5.787 0.574 1.00 0.00 H new ATOM 1013 N VAL A 73 0.388 4.595 -1.367 1.00 0.00 N ATOM 1014 CA VAL A 73 0.696 4.007 -2.659 1.00 0.00 C ATOM 1015 C VAL A 73 -0.537 4.093 -3.561 1.00 0.00 C ATOM 1016 O VAL A 73 -0.439 3.901 -4.773 1.00 0.00 O ATOM 1017 CB VAL A 73 1.203 2.576 -2.476 1.00 0.00 C ATOM 1018 CG1 VAL A 73 1.714 2.001 -3.799 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.286 2.512 -1.397 1.00 0.00 C ATOM 0 H VAL A 73 0.237 3.921 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 73 1.497 4.561 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 73 0.364 1.964 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.069 0.983 -3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.905 1.994 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.533 2.616 -4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.629 1.483 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.125 3.146 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.876 2.861 -0.449 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.669 4.382 -2.935 1.00 0.00 N ATOM 1030 CA VAL A 74 -2.920 4.495 -3.666 1.00 0.00 C ATOM 1031 C VAL A 74 -3.172 5.964 -4.012 1.00 0.00 C ATOM 1032 O VAL A 74 -3.337 6.310 -5.181 1.00 0.00 O ATOM 1033 CB VAL A 74 -4.057 3.868 -2.857 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.403 4.066 -3.559 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.790 2.386 -2.593 1.00 0.00 C ATOM 0 H VAL A 74 -1.746 4.541 -1.930 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.865 3.944 -4.605 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.103 4.377 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.194 3.611 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.601 5.132 -3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.373 3.596 -4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.614 1.965 -2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.704 1.857 -3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.862 2.278 -2.032 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.191 6.789 -2.976 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.420 8.211 -3.156 1.00 0.00 C ATOM 1047 C ALA A 75 -2.569 8.718 -4.323 1.00 0.00 C ATOM 1048 O ALA A 75 -3.096 9.280 -5.282 1.00 0.00 O ATOM 1049 CB ALA A 75 -3.114 8.948 -1.850 1.00 0.00 C ATOM 0 H ALA A 75 -3.051 6.499 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.465 8.402 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.286 10.016 -1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.764 8.573 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.073 8.781 -1.573 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.268 8.498 -4.203 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.340 8.924 -5.236 1.00 0.00 C ATOM 1057 C TYR A 76 -0.887 8.610 -6.629 1.00 0.00 C ATOM 1058 O TYR A 76 -0.529 9.269 -7.605 1.00 0.00 O ATOM 1059 CB TYR A 76 0.941 8.118 -5.011 1.00 0.00 C ATOM 1060 CG TYR A 76 2.034 8.881 -4.260 1.00 0.00 C ATOM 1061 CD1 TYR A 76 1.690 9.824 -3.314 1.00 0.00 C ATOM 1062 CD2 TYR A 76 3.363 8.626 -4.530 1.00 0.00 C ATOM 1063 CE1 TYR A 76 2.718 10.544 -2.607 1.00 0.00 C ATOM 1064 CE2 TYR A 76 4.391 9.345 -3.823 1.00 0.00 C ATOM 1065 CZ TYR A 76 4.018 10.268 -2.897 1.00 0.00 C ATOM 1066 OH TYR A 76 4.990 10.947 -2.228 1.00 0.00 O ATOM 0 H TYR A 76 -0.835 8.031 -3.407 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.173 10.000 -5.181 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.696 7.214 -4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.333 7.801 -5.977 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.650 10.023 -3.103 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.632 7.888 -5.271 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.463 11.285 -1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.435 9.155 -4.024 1.00 0.00 H new ATOM 0 HH TYR A 76 5.870 10.646 -2.536 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.747 7.603 -6.679 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.349 7.194 -7.937 1.00 0.00 C ATOM 1077 C ILE A 77 -3.503 8.138 -8.277 1.00 0.00 C ATOM 1078 O ILE A 77 -3.361 9.017 -9.126 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.755 5.720 -7.881 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.683 4.880 -7.185 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -3.082 5.188 -9.278 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -2.008 3.388 -7.277 1.00 0.00 C ATOM 0 H ILE A 77 -2.041 7.058 -5.868 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.626 7.271 -8.749 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.663 5.640 -7.284 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.712 5.073 -7.641 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.608 5.175 -6.138 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.368 4.138 -9.210 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.906 5.762 -9.702 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.205 5.285 -9.919 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.229 2.814 -6.774 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.968 3.195 -6.798 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.058 3.091 -8.324 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.619 7.925 -7.596 1.00 0.00 N ATOM 1094 CA GLN A 78 -5.798 8.747 -7.816 1.00 0.00 C ATOM 1095 C GLN A 78 -5.454 10.227 -7.636 1.00 0.00 C ATOM 1096 O GLN A 78 -5.758 11.047 -8.500 1.00 0.00 O ATOM 1097 CB GLN A 78 -6.937 8.331 -6.883 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.312 6.863 -7.094 1.00 0.00 C ATOM 1099 CD GLN A 78 -7.909 6.261 -5.820 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -8.197 6.948 -4.854 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -8.078 4.943 -5.874 1.00 0.00 N ATOM 0 H GLN A 78 -4.732 7.196 -6.892 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.138 8.595 -8.841 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.638 8.488 -5.847 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.808 8.962 -7.063 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.030 6.781 -7.910 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.428 6.297 -7.389 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.815 4.429 -6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.471 4.446 -5.074 1.00 0.00 H new ATOM 1108 N LYS A 79 -4.823 10.522 -6.509 1.00 0.00 N ATOM 1109 CA LYS A 79 -4.435 11.890 -6.206 1.00 0.00 C ATOM 1110 C LYS A 79 -3.940 12.570 -7.484 1.00 0.00 C ATOM 1111 O LYS A 79 -4.419 13.646 -7.843 1.00 0.00 O ATOM 1112 CB LYS A 79 -3.418 11.916 -5.063 1.00 0.00 C ATOM 1113 CG LYS A 79 -4.009 11.308 -3.789 1.00 0.00 C ATOM 1114 CD LYS A 79 -4.910 12.313 -3.069 1.00 0.00 C ATOM 1115 CE LYS A 79 -4.091 13.229 -2.158 1.00 0.00 C ATOM 1116 NZ LYS A 79 -4.180 14.633 -2.619 1.00 0.00 N ATOM 0 H LYS A 79 -4.571 9.838 -5.795 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.294 12.461 -5.853 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.525 11.363 -5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.108 12.943 -4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.582 10.415 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.204 10.994 -3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.451 12.912 -3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.656 11.781 -2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.455 13.153 -1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.049 12.908 -2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.618 15.241 -1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.811 14.704 -3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.173 14.941 -2.603 1.00 0.00 H new