USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 534 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 2 GLN : amide:sc= -3.68 K(o=-3.7,f=-8.5!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -121:sc= -7.33! (180deg=-11.6!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 141:sc= -4.15! USER MOD Single : A 12 ASN : amide:sc= -3.59! C(o=-3.6!,f=-3.2!) USER MOD Single : A 13 HIS : no HE2:sc= -2.53 K(o=-2.5,f=-3.2!) USER MOD Single : A 14 CYS SG : rot 91:sc= -0.343 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.22 K(o=-1.2,f=-1.9) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -2.28! C(o=-2.3!,f=-4!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 50:sc= -0.0518 USER MOD Single : A 56 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.41) USER MOD Single : A 59 ASN : amide:sc= -2.34 K(o=-2.3,f=-7.8!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.096) USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 -7.189 -3.998 -4.241 1.00 0.00 N ATOM 12 CA GLN A 2 -8.060 -2.977 -3.683 1.00 0.00 C ATOM 13 C GLN A 2 -7.236 -1.777 -3.212 1.00 0.00 C ATOM 14 O GLN A 2 -6.323 -1.926 -2.402 1.00 0.00 O ATOM 15 CB GLN A 2 -8.907 -3.543 -2.542 1.00 0.00 C ATOM 16 CG GLN A 2 -10.400 -3.383 -2.837 1.00 0.00 C ATOM 17 CD GLN A 2 -10.885 -1.980 -2.466 1.00 0.00 C ATOM 18 OE1 GLN A 2 -11.504 -1.761 -1.438 1.00 0.00 O ATOM 19 NE2 GLN A 2 -10.570 -1.046 -3.358 1.00 0.00 N ATOM 0 HA GLN A 2 -8.741 -2.641 -4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -8.672 -4.598 -2.398 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.659 -3.031 -1.612 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -10.587 -3.569 -3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.967 -4.127 -2.278 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.050 -1.298 -4.198 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.849 -0.077 -3.202 1.00 0.00 H new ATOM 28 N GLU A 3 -7.590 -0.614 -3.738 1.00 0.00 N ATOM 29 CA GLU A 3 -6.895 0.612 -3.381 1.00 0.00 C ATOM 30 C GLU A 3 -7.330 1.083 -1.992 1.00 0.00 C ATOM 31 O GLU A 3 -8.378 0.673 -1.493 1.00 0.00 O ATOM 32 CB GLU A 3 -7.132 1.701 -4.429 1.00 0.00 C ATOM 33 CG GLU A 3 -8.506 2.348 -4.246 1.00 0.00 C ATOM 34 CD GLU A 3 -8.885 3.186 -5.469 1.00 0.00 C ATOM 35 OE1 GLU A 3 -8.062 4.050 -5.842 1.00 0.00 O ATOM 36 OE2 GLU A 3 -9.989 2.943 -6.003 1.00 0.00 O ATOM 0 H GLU A 3 -8.349 -0.494 -4.409 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.825 0.406 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.355 2.461 -4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.058 1.271 -5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.257 1.575 -4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.500 2.978 -3.357 1.00 0.00 H new ATOM 43 N PHE A 4 -6.504 1.937 -1.406 1.00 0.00 N ATOM 44 CA PHE A 4 -6.790 2.468 -0.084 1.00 0.00 C ATOM 45 C PHE A 4 -6.619 3.988 -0.055 1.00 0.00 C ATOM 46 O PHE A 4 -5.779 4.536 -0.767 1.00 0.00 O ATOM 47 CB PHE A 4 -5.783 1.836 0.879 1.00 0.00 C ATOM 48 CG PHE A 4 -5.291 0.453 0.447 1.00 0.00 C ATOM 49 CD1 PHE A 4 -4.456 0.331 -0.619 1.00 0.00 C ATOM 50 CD2 PHE A 4 -5.690 -0.655 1.128 1.00 0.00 C ATOM 51 CE1 PHE A 4 -3.999 -0.952 -1.021 1.00 0.00 C ATOM 52 CE2 PHE A 4 -5.234 -1.938 0.726 1.00 0.00 C ATOM 53 CZ PHE A 4 -4.398 -2.059 -0.340 1.00 0.00 C ATOM 0 H PHE A 4 -5.636 2.275 -1.823 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.819 2.239 0.194 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.925 2.501 0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.240 1.756 1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.140 1.210 -1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.354 -0.559 1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.335 -1.048 -1.867 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.551 -2.818 1.267 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.051 -3.035 -0.646 1.00 0.00 H new ATOM 63 N SER A 5 -7.431 4.627 0.774 1.00 0.00 N ATOM 64 CA SER A 5 -7.381 6.073 0.905 1.00 0.00 C ATOM 65 C SER A 5 -6.488 6.461 2.086 1.00 0.00 C ATOM 66 O SER A 5 -6.638 5.927 3.184 1.00 0.00 O ATOM 67 CB SER A 5 -8.783 6.659 1.085 1.00 0.00 C ATOM 68 OG SER A 5 -8.760 7.887 1.807 1.00 0.00 O ATOM 0 H SER A 5 -8.128 4.170 1.362 1.00 0.00 H new ATOM 0 HA SER A 5 -6.960 6.485 -0.012 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.236 6.822 0.107 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.411 5.941 1.612 1.00 0.00 H new ATOM 0 HG SER A 5 -9.674 8.229 1.899 1.00 0.00 H new ATOM 74 N VAL A 6 -5.580 7.388 1.820 1.00 0.00 N ATOM 75 CA VAL A 6 -4.663 7.853 2.846 1.00 0.00 C ATOM 76 C VAL A 6 -5.080 9.254 3.299 1.00 0.00 C ATOM 77 O VAL A 6 -5.231 10.157 2.477 1.00 0.00 O ATOM 78 CB VAL A 6 -3.224 7.796 2.329 1.00 0.00 C ATOM 79 CG1 VAL A 6 -2.250 8.385 3.351 1.00 0.00 C ATOM 80 CG2 VAL A 6 -2.832 6.365 1.958 1.00 0.00 C ATOM 0 H VAL A 6 -5.460 7.830 0.908 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.706 7.202 3.719 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.168 8.403 1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.235 8.332 2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.511 9.426 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.310 7.818 4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.805 6.352 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.913 5.726 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.498 5.996 1.178 1.00 0.00 H new ATOM 90 N LYS A 7 -5.255 9.391 4.605 1.00 0.00 N ATOM 91 CA LYS A 7 -5.652 10.667 5.177 1.00 0.00 C ATOM 92 C LYS A 7 -4.609 11.106 6.207 1.00 0.00 C ATOM 93 O LYS A 7 -4.951 11.426 7.345 1.00 0.00 O ATOM 94 CB LYS A 7 -7.073 10.584 5.738 1.00 0.00 C ATOM 95 CG LYS A 7 -8.093 10.374 4.617 1.00 0.00 C ATOM 96 CD LYS A 7 -9.138 11.491 4.610 1.00 0.00 C ATOM 97 CE LYS A 7 -10.326 11.136 5.507 1.00 0.00 C ATOM 98 NZ LYS A 7 -11.344 12.210 5.466 1.00 0.00 N ATOM 0 H LYS A 7 -5.129 8.640 5.284 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.683 11.437 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.138 9.764 6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.308 11.499 6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.581 10.344 3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.586 9.410 4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.684 12.421 4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.485 11.663 3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.768 10.195 5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.985 10.989 6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.144 11.954 6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.923 13.100 5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.682 12.331 4.490 1.00 0.00 H new ATOM 112 N GLY A 8 -3.357 11.106 5.772 1.00 0.00 N ATOM 113 CA GLY A 8 -2.263 11.500 6.643 1.00 0.00 C ATOM 114 C GLY A 8 -0.984 11.744 5.839 1.00 0.00 C ATOM 115 O GLY A 8 0.120 11.604 6.364 1.00 0.00 O ATOM 0 H GLY A 8 -3.076 10.839 4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.534 12.405 7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.087 10.723 7.386 1.00 0.00 H new ATOM 119 N MET A 9 -1.175 12.104 4.578 1.00 0.00 N ATOM 120 CA MET A 9 -0.051 12.369 3.697 1.00 0.00 C ATOM 121 C MET A 9 0.654 13.671 4.084 1.00 0.00 C ATOM 122 O MET A 9 0.018 14.605 4.569 1.00 0.00 O ATOM 123 CB MET A 9 -0.546 12.467 2.252 1.00 0.00 C ATOM 124 CG MET A 9 0.184 11.466 1.354 1.00 0.00 C ATOM 125 SD MET A 9 0.557 12.220 -0.221 1.00 0.00 S ATOM 126 CE MET A 9 1.981 13.197 0.233 1.00 0.00 C ATOM 0 H MET A 9 -2.092 12.218 4.146 1.00 0.00 H new ATOM 0 HA MET A 9 0.661 11.549 3.792 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.619 12.277 2.218 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.389 13.479 1.878 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.104 11.136 1.836 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.433 10.580 1.206 1.00 0.00 H new ATOM 0 HE1 MET A 9 1.781 14.249 0.027 1.00 0.00 H new ATOM 0 HE2 MET A 9 2.187 13.068 1.296 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.845 12.871 -0.346 1.00 0.00 H new ATOM 136 N SER A 10 1.959 13.691 3.855 1.00 0.00 N ATOM 137 CA SER A 10 2.757 14.862 4.173 1.00 0.00 C ATOM 138 C SER A 10 3.468 15.369 2.916 1.00 0.00 C ATOM 139 O SER A 10 3.572 16.575 2.701 1.00 0.00 O ATOM 140 CB SER A 10 3.777 14.552 5.271 1.00 0.00 C ATOM 141 OG SER A 10 3.239 14.762 6.574 1.00 0.00 O ATOM 0 H SER A 10 2.483 12.914 3.453 1.00 0.00 H new ATOM 0 HA SER A 10 2.089 15.640 4.544 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.107 13.517 5.177 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.657 15.181 5.136 1.00 0.00 H new ATOM 0 HG SER A 10 3.920 14.552 7.247 1.00 0.00 H new ATOM 147 N CYS A 11 3.939 14.421 2.119 1.00 0.00 N ATOM 148 CA CYS A 11 4.637 14.756 0.890 1.00 0.00 C ATOM 149 C CYS A 11 6.137 14.811 1.188 1.00 0.00 C ATOM 150 O CYS A 11 6.544 14.769 2.348 1.00 0.00 O ATOM 151 CB CYS A 11 4.127 16.067 0.288 1.00 0.00 C ATOM 152 SG CYS A 11 4.424 16.085 -1.517 1.00 0.00 S ATOM 0 H CYS A 11 3.851 13.421 2.301 1.00 0.00 H new ATOM 0 HA CYS A 11 4.444 13.989 0.140 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.062 16.180 0.491 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.632 16.912 0.756 1.00 0.00 H new ATOM 0 HG CYS A 11 3.408 16.630 -2.118 1.00 0.00 H new ATOM 158 N ASN A 12 6.917 14.903 0.121 1.00 0.00 N ATOM 159 CA ASN A 12 8.363 14.964 0.254 1.00 0.00 C ATOM 160 C ASN A 12 8.911 13.551 0.464 1.00 0.00 C ATOM 161 O ASN A 12 9.427 13.234 1.535 1.00 0.00 O ATOM 162 CB ASN A 12 8.769 15.813 1.461 1.00 0.00 C ATOM 163 CG ASN A 12 7.808 16.988 1.653 1.00 0.00 C ATOM 164 OD1 ASN A 12 7.467 17.703 0.726 1.00 0.00 O ATOM 165 ND2 ASN A 12 7.392 17.146 2.907 1.00 0.00 N ATOM 0 H ASN A 12 6.575 14.937 -0.839 1.00 0.00 H new ATOM 0 HA ASN A 12 8.767 15.411 -0.654 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.777 15.195 2.359 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.783 16.187 1.322 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.748 17.902 3.139 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.717 16.511 3.636 1.00 0.00 H new ATOM 172 N HIS A 13 8.781 12.740 -0.576 1.00 0.00 N ATOM 173 CA HIS A 13 9.258 11.369 -0.519 1.00 0.00 C ATOM 174 C HIS A 13 8.302 10.528 0.330 1.00 0.00 C ATOM 175 O HIS A 13 8.572 9.359 0.602 1.00 0.00 O ATOM 176 CB HIS A 13 10.701 11.315 -0.014 1.00 0.00 C ATOM 177 CG HIS A 13 10.927 10.317 1.096 1.00 0.00 C ATOM 178 ND1 HIS A 13 10.764 10.634 2.433 1.00 0.00 N ATOM 179 CD2 HIS A 13 11.304 9.007 1.054 1.00 0.00 C ATOM 180 CE1 HIS A 13 11.034 9.556 3.154 1.00 0.00 C ATOM 181 NE2 HIS A 13 11.369 8.549 2.298 1.00 0.00 N ATOM 0 H HIS A 13 8.352 13.006 -1.462 1.00 0.00 H new ATOM 0 HA HIS A 13 9.270 10.943 -1.522 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.358 11.070 -0.848 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.989 12.306 0.338 1.00 0.00 H new ATOM 0 HD1 HIS A 13 10.484 11.543 2.801 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.514 8.439 0.160 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.996 9.487 4.231 1.00 0.00 H new ATOM 189 N CYS A 14 7.204 11.156 0.725 1.00 0.00 N ATOM 190 CA CYS A 14 6.206 10.481 1.537 1.00 0.00 C ATOM 191 C CYS A 14 5.576 9.368 0.696 1.00 0.00 C ATOM 192 O CYS A 14 5.562 8.208 1.105 1.00 0.00 O ATOM 193 CB CYS A 14 5.156 11.457 2.071 1.00 0.00 C ATOM 194 SG CYS A 14 5.813 12.344 3.531 1.00 0.00 S ATOM 0 H CYS A 14 6.984 12.126 0.498 1.00 0.00 H new ATOM 0 HA CYS A 14 6.682 10.046 2.416 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.882 12.171 1.294 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.249 10.916 2.341 1.00 0.00 H new ATOM 0 HG CYS A 14 6.389 13.444 3.147 1.00 0.00 H new ATOM 200 N VAL A 15 5.068 9.761 -0.463 1.00 0.00 N ATOM 201 CA VAL A 15 4.438 8.812 -1.364 1.00 0.00 C ATOM 202 C VAL A 15 5.323 7.571 -1.492 1.00 0.00 C ATOM 203 O VAL A 15 4.844 6.446 -1.360 1.00 0.00 O ATOM 204 CB VAL A 15 4.148 9.481 -2.710 1.00 0.00 C ATOM 205 CG1 VAL A 15 4.085 8.445 -3.834 1.00 0.00 C ATOM 206 CG2 VAL A 15 2.859 10.303 -2.647 1.00 0.00 C ATOM 0 H VAL A 15 5.080 10.724 -0.799 1.00 0.00 H new ATOM 0 HA VAL A 15 3.478 8.486 -0.964 1.00 0.00 H new ATOM 0 HB VAL A 15 4.969 10.163 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.878 8.946 -4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.039 7.923 -3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.293 7.727 -3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.676 10.768 -3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.023 9.650 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.958 11.077 -1.886 1.00 0.00 H new ATOM 216 N ALA A 16 6.600 7.818 -1.746 1.00 0.00 N ATOM 217 CA ALA A 16 7.557 6.734 -1.893 1.00 0.00 C ATOM 218 C ALA A 16 7.692 5.995 -0.560 1.00 0.00 C ATOM 219 O ALA A 16 7.643 4.766 -0.520 1.00 0.00 O ATOM 220 CB ALA A 16 8.892 7.295 -2.386 1.00 0.00 C ATOM 0 H ALA A 16 6.994 8.753 -1.854 1.00 0.00 H new ATOM 0 HA ALA A 16 7.211 6.015 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.610 6.482 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.748 7.785 -3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.271 8.019 -1.664 1.00 0.00 H new ATOM 226 N ARG A 17 7.859 6.774 0.498 1.00 0.00 N ATOM 227 CA ARG A 17 8.001 6.209 1.829 1.00 0.00 C ATOM 228 C ARG A 17 6.960 5.110 2.053 1.00 0.00 C ATOM 229 O ARG A 17 7.277 4.050 2.590 1.00 0.00 O ATOM 230 CB ARG A 17 7.837 7.284 2.905 1.00 0.00 C ATOM 231 CG ARG A 17 8.943 7.180 3.958 1.00 0.00 C ATOM 232 CD ARG A 17 8.725 5.964 4.861 1.00 0.00 C ATOM 233 NE ARG A 17 9.036 6.315 6.265 1.00 0.00 N ATOM 234 CZ ARG A 17 10.279 6.422 6.755 1.00 0.00 C ATOM 235 NH1 ARG A 17 11.334 6.205 5.959 1.00 0.00 N ATOM 236 NH2 ARG A 17 10.466 6.745 8.042 1.00 0.00 N ATOM 0 H ARG A 17 7.899 7.793 0.461 1.00 0.00 H new ATOM 0 HA ARG A 17 9.003 5.786 1.904 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.861 8.271 2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.863 7.179 3.384 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.913 7.104 3.466 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.962 8.087 4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.693 5.623 4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.359 5.140 4.534 1.00 0.00 H new ATOM 0 HE ARG A 17 8.256 6.486 6.899 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.192 5.958 4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.280 6.287 6.332 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.663 6.909 8.649 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.412 6.826 8.415 1.00 0.00 H new ATOM 250 N ILE A 18 5.739 5.401 1.630 1.00 0.00 N ATOM 251 CA ILE A 18 4.650 4.451 1.778 1.00 0.00 C ATOM 252 C ILE A 18 4.818 3.326 0.755 1.00 0.00 C ATOM 253 O ILE A 18 5.007 2.169 1.126 1.00 0.00 O ATOM 254 CB ILE A 18 3.300 5.166 1.689 1.00 0.00 C ATOM 255 CG1 ILE A 18 3.264 6.387 2.611 1.00 0.00 C ATOM 256 CG2 ILE A 18 2.148 4.200 1.973 1.00 0.00 C ATOM 257 CD1 ILE A 18 2.032 7.250 2.331 1.00 0.00 C ATOM 0 H ILE A 18 5.480 6.281 1.185 1.00 0.00 H new ATOM 0 HA ILE A 18 4.677 3.991 2.766 1.00 0.00 H new ATOM 0 HB ILE A 18 3.173 5.529 0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.255 6.061 3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.168 6.980 2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.200 4.734 1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.163 3.391 1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.259 3.786 2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.031 8.111 3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.056 7.594 1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.130 6.661 2.496 1.00 0.00 H new ATOM 269 N GLU A 19 4.743 3.705 -0.512 1.00 0.00 N ATOM 270 CA GLU A 19 4.884 2.742 -1.591 1.00 0.00 C ATOM 271 C GLU A 19 6.048 1.791 -1.305 1.00 0.00 C ATOM 272 O GLU A 19 5.986 0.610 -1.641 1.00 0.00 O ATOM 273 CB GLU A 19 5.072 3.449 -2.935 1.00 0.00 C ATOM 274 CG GLU A 19 5.801 2.546 -3.932 1.00 0.00 C ATOM 275 CD GLU A 19 7.310 2.560 -3.682 1.00 0.00 C ATOM 276 OE1 GLU A 19 7.866 3.678 -3.626 1.00 0.00 O ATOM 277 OE2 GLU A 19 7.875 1.452 -3.553 1.00 0.00 O ATOM 0 H GLU A 19 4.586 4.666 -0.816 1.00 0.00 H new ATOM 0 HA GLU A 19 3.967 2.155 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.101 3.733 -3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.639 4.369 -2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.424 1.527 -3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.594 2.879 -4.949 1.00 0.00 H new ATOM 284 N GLU A 20 7.082 2.342 -0.686 1.00 0.00 N ATOM 285 CA GLU A 20 8.258 1.557 -0.350 1.00 0.00 C ATOM 286 C GLU A 20 7.892 0.449 0.639 1.00 0.00 C ATOM 287 O GLU A 20 8.034 -0.734 0.332 1.00 0.00 O ATOM 288 CB GLU A 20 9.369 2.447 0.210 1.00 0.00 C ATOM 289 CG GLU A 20 10.459 1.608 0.879 1.00 0.00 C ATOM 290 CD GLU A 20 11.846 2.003 0.369 1.00 0.00 C ATOM 291 OE1 GLU A 20 12.426 2.935 0.966 1.00 0.00 O ATOM 292 OE2 GLU A 20 12.295 1.364 -0.607 1.00 0.00 O ATOM 0 H GLU A 20 7.130 3.322 -0.408 1.00 0.00 H new ATOM 0 HA GLU A 20 8.634 1.093 -1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.804 3.041 -0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.949 3.147 0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.414 1.741 1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.282 0.551 0.681 1.00 0.00 H new ATOM 299 N ALA A 21 7.428 0.871 1.807 1.00 0.00 N ATOM 300 CA ALA A 21 7.041 -0.071 2.843 1.00 0.00 C ATOM 301 C ALA A 21 5.924 -0.974 2.314 1.00 0.00 C ATOM 302 O ALA A 21 5.973 -2.191 2.483 1.00 0.00 O ATOM 303 CB ALA A 21 6.624 0.695 4.100 1.00 0.00 C ATOM 0 H ALA A 21 7.312 1.853 2.058 1.00 0.00 H new ATOM 0 HA ALA A 21 7.882 -0.710 3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.334 -0.012 4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.460 1.299 4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.780 1.345 3.867 1.00 0.00 H new ATOM 309 N VAL A 22 4.945 -0.342 1.684 1.00 0.00 N ATOM 310 CA VAL A 22 3.818 -1.073 1.129 1.00 0.00 C ATOM 311 C VAL A 22 4.324 -2.056 0.071 1.00 0.00 C ATOM 312 O VAL A 22 3.755 -3.132 -0.104 1.00 0.00 O ATOM 313 CB VAL A 22 2.776 -0.094 0.585 1.00 0.00 C ATOM 314 CG1 VAL A 22 1.618 -0.840 -0.080 1.00 0.00 C ATOM 315 CG2 VAL A 22 2.267 0.834 1.690 1.00 0.00 C ATOM 0 H VAL A 22 4.909 0.668 1.545 1.00 0.00 H new ATOM 0 HA VAL A 22 3.322 -1.657 1.905 1.00 0.00 H new ATOM 0 HB VAL A 22 3.258 0.521 -0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.891 -0.121 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.999 -1.440 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.138 -1.491 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.527 1.520 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.809 0.240 2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.101 1.403 2.100 1.00 0.00 H new ATOM 325 N GLY A 23 5.388 -1.650 -0.606 1.00 0.00 N ATOM 326 CA GLY A 23 5.978 -2.481 -1.642 1.00 0.00 C ATOM 327 C GLY A 23 6.885 -3.554 -1.035 1.00 0.00 C ATOM 328 O GLY A 23 7.166 -4.567 -1.672 1.00 0.00 O ATOM 0 H GLY A 23 5.857 -0.756 -0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.189 -2.955 -2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.553 -1.859 -2.328 1.00 0.00 H new ATOM 332 N ARG A 24 7.317 -3.293 0.190 1.00 0.00 N ATOM 333 CA ARG A 24 8.186 -4.223 0.891 1.00 0.00 C ATOM 334 C ARG A 24 7.357 -5.313 1.573 1.00 0.00 C ATOM 335 O ARG A 24 7.909 -6.258 2.134 1.00 0.00 O ATOM 336 CB ARG A 24 9.031 -3.502 1.942 1.00 0.00 C ATOM 337 CG ARG A 24 9.599 -4.491 2.962 1.00 0.00 C ATOM 338 CD ARG A 24 10.789 -3.886 3.709 1.00 0.00 C ATOM 339 NE ARG A 24 10.312 -2.943 4.744 1.00 0.00 N ATOM 340 CZ ARG A 24 11.048 -1.941 5.245 1.00 0.00 C ATOM 341 NH1 ARG A 24 12.300 -1.747 4.809 1.00 0.00 N ATOM 342 NH2 ARG A 24 10.532 -1.135 6.182 1.00 0.00 N ATOM 0 H ARG A 24 7.081 -2.451 0.715 1.00 0.00 H new ATOM 0 HA ARG A 24 8.851 -4.675 0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.847 -2.968 1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.423 -2.756 2.453 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.822 -4.771 3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.910 -5.404 2.454 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.379 -4.678 4.171 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.444 -3.368 3.008 1.00 0.00 H new ATOM 0 HE ARG A 24 9.363 -3.063 5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.693 -2.362 4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.860 -0.985 5.190 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.579 -1.284 6.514 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.092 -0.372 6.563 1.00 0.00 H new ATOM 356 N ILE A 25 6.044 -5.146 1.501 1.00 0.00 N ATOM 357 CA ILE A 25 5.134 -6.104 2.105 1.00 0.00 C ATOM 358 C ILE A 25 5.275 -7.453 1.396 1.00 0.00 C ATOM 359 O ILE A 25 5.019 -7.558 0.197 1.00 0.00 O ATOM 360 CB ILE A 25 3.705 -5.557 2.107 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.637 -4.202 2.814 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.731 -6.570 2.714 1.00 0.00 C ATOM 363 CD1 ILE A 25 4.274 -4.276 4.203 1.00 0.00 C ATOM 0 H ILE A 25 5.589 -4.362 1.034 1.00 0.00 H new ATOM 0 HA ILE A 25 5.391 -6.266 3.152 1.00 0.00 H new ATOM 0 HB ILE A 25 3.400 -5.396 1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.149 -3.449 2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.598 -3.886 2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.723 -6.157 2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.752 -7.490 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.024 -6.786 3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.212 -3.300 4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.744 -5.012 4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.320 -4.569 4.109 1.00 0.00 H new ATOM 375 N SER A 26 5.683 -8.450 2.166 1.00 0.00 N ATOM 376 CA SER A 26 5.862 -9.787 1.627 1.00 0.00 C ATOM 377 C SER A 26 4.517 -10.349 1.163 1.00 0.00 C ATOM 378 O SER A 26 3.718 -10.808 1.977 1.00 0.00 O ATOM 379 CB SER A 26 6.497 -10.719 2.662 1.00 0.00 C ATOM 380 OG SER A 26 6.439 -12.084 2.258 1.00 0.00 O ATOM 0 H SER A 26 5.895 -8.359 3.160 1.00 0.00 H new ATOM 0 HA SER A 26 6.536 -9.723 0.773 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.537 -10.431 2.819 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.986 -10.602 3.617 1.00 0.00 H new ATOM 0 HG SER A 26 6.856 -12.646 2.944 1.00 0.00 H new ATOM 386 N GLY A 27 4.308 -10.293 -0.144 1.00 0.00 N ATOM 387 CA GLY A 27 3.073 -10.790 -0.726 1.00 0.00 C ATOM 388 C GLY A 27 2.538 -9.824 -1.786 1.00 0.00 C ATOM 389 O GLY A 27 1.688 -10.193 -2.595 1.00 0.00 O ATOM 0 H GLY A 27 4.973 -9.911 -0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.246 -11.768 -1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.327 -10.926 0.057 1.00 0.00 H new ATOM 393 N VAL A 28 3.059 -8.606 -1.747 1.00 0.00 N ATOM 394 CA VAL A 28 2.644 -7.584 -2.693 1.00 0.00 C ATOM 395 C VAL A 28 3.473 -7.715 -3.973 1.00 0.00 C ATOM 396 O VAL A 28 4.702 -7.684 -3.926 1.00 0.00 O ATOM 397 CB VAL A 28 2.752 -6.201 -2.049 1.00 0.00 C ATOM 398 CG1 VAL A 28 2.414 -5.100 -3.057 1.00 0.00 C ATOM 399 CG2 VAL A 28 1.860 -6.102 -0.810 1.00 0.00 C ATOM 0 H VAL A 28 3.765 -8.304 -1.075 1.00 0.00 H new ATOM 0 HA VAL A 28 1.598 -7.718 -2.968 1.00 0.00 H new ATOM 0 HB VAL A 28 3.785 -6.059 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.498 -4.126 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.107 -5.150 -3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.395 -5.238 -3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.956 -5.109 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.822 -6.275 -1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.166 -6.852 -0.080 1.00 0.00 H new ATOM 409 N LYS A 29 2.767 -7.857 -5.085 1.00 0.00 N ATOM 410 CA LYS A 29 3.422 -7.992 -6.375 1.00 0.00 C ATOM 411 C LYS A 29 3.736 -6.601 -6.930 1.00 0.00 C ATOM 412 O LYS A 29 4.860 -6.337 -7.353 1.00 0.00 O ATOM 413 CB LYS A 29 2.579 -8.854 -7.316 1.00 0.00 C ATOM 414 CG LYS A 29 3.454 -9.522 -8.379 1.00 0.00 C ATOM 415 CD LYS A 29 2.954 -10.934 -8.693 1.00 0.00 C ATOM 416 CE LYS A 29 3.970 -11.698 -9.544 1.00 0.00 C ATOM 417 NZ LYS A 29 3.468 -13.055 -9.857 1.00 0.00 N ATOM 0 H LYS A 29 1.748 -7.882 -5.119 1.00 0.00 H new ATOM 0 HA LYS A 29 4.372 -8.515 -6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.052 -9.616 -6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.821 -8.237 -7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.451 -8.921 -9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.486 -9.567 -8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.773 -11.475 -7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.002 -10.878 -9.220 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.162 -11.153 -10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.919 -11.769 -9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.170 -13.560 -10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.307 -13.578 -8.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.574 -12.982 -10.383 1.00 0.00 H new ATOM 431 N LYS A 30 2.722 -5.749 -6.912 1.00 0.00 N ATOM 432 CA LYS A 30 2.875 -4.392 -7.408 1.00 0.00 C ATOM 433 C LYS A 30 2.245 -3.415 -6.414 1.00 0.00 C ATOM 434 O LYS A 30 1.307 -3.769 -5.701 1.00 0.00 O ATOM 435 CB LYS A 30 2.314 -4.274 -8.827 1.00 0.00 C ATOM 436 CG LYS A 30 2.709 -5.485 -9.675 1.00 0.00 C ATOM 437 CD LYS A 30 3.043 -5.065 -11.108 1.00 0.00 C ATOM 438 CE LYS A 30 3.647 -6.230 -11.894 1.00 0.00 C ATOM 439 NZ LYS A 30 4.662 -5.738 -12.852 1.00 0.00 N ATOM 0 H LYS A 30 1.791 -5.972 -6.561 1.00 0.00 H new ATOM 0 HA LYS A 30 3.931 -4.131 -7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.228 -4.192 -8.787 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.685 -3.362 -9.294 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.570 -5.982 -9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.894 -6.208 -9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.140 -4.714 -11.608 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.744 -4.230 -11.092 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.103 -6.943 -11.207 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.860 -6.762 -12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.062 -6.542 -13.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.217 -5.075 -13.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.421 -5.251 -12.334 1.00 0.00 H new ATOM 453 N VAL A 31 2.785 -2.205 -6.398 1.00 0.00 N ATOM 454 CA VAL A 31 2.286 -1.175 -5.503 1.00 0.00 C ATOM 455 C VAL A 31 2.440 0.193 -6.172 1.00 0.00 C ATOM 456 O VAL A 31 3.361 0.402 -6.960 1.00 0.00 O ATOM 457 CB VAL A 31 3.000 -1.265 -4.153 1.00 0.00 C ATOM 458 CG1 VAL A 31 4.517 -1.338 -4.339 1.00 0.00 C ATOM 459 CG2 VAL A 31 2.615 -0.091 -3.250 1.00 0.00 C ATOM 0 H VAL A 31 3.563 -1.915 -6.990 1.00 0.00 H new ATOM 0 HA VAL A 31 1.224 -1.322 -5.304 1.00 0.00 H new ATOM 0 HB VAL A 31 2.677 -2.184 -3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.000 -1.401 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.769 -2.220 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.863 -0.444 -4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.136 -0.179 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.895 0.846 -3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.539 -0.102 -3.077 1.00 0.00 H new ATOM 469 N LYS A 32 1.525 1.088 -5.831 1.00 0.00 N ATOM 470 CA LYS A 32 1.548 2.430 -6.388 1.00 0.00 C ATOM 471 C LYS A 32 0.831 3.387 -5.433 1.00 0.00 C ATOM 472 O LYS A 32 0.125 2.950 -4.526 1.00 0.00 O ATOM 473 CB LYS A 32 0.972 2.432 -7.806 1.00 0.00 C ATOM 474 CG LYS A 32 1.517 3.609 -8.618 1.00 0.00 C ATOM 475 CD LYS A 32 1.300 3.389 -10.116 1.00 0.00 C ATOM 476 CE LYS A 32 0.762 4.655 -10.784 1.00 0.00 C ATOM 477 NZ LYS A 32 1.877 5.525 -11.221 1.00 0.00 N ATOM 0 H LYS A 32 0.763 0.911 -5.176 1.00 0.00 H new ATOM 0 HA LYS A 32 2.574 2.784 -6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.221 1.495 -8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.116 2.490 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.023 4.530 -8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.581 3.734 -8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.240 3.098 -10.584 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.600 2.567 -10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.145 4.387 -11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.122 5.197 -10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.494 6.380 -11.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.450 5.796 -10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.472 5.011 -11.902 1.00 0.00 H new ATOM 491 N VAL A 33 1.038 4.674 -5.670 1.00 0.00 N ATOM 492 CA VAL A 33 0.420 5.695 -4.841 1.00 0.00 C ATOM 493 C VAL A 33 0.309 6.995 -5.641 1.00 0.00 C ATOM 494 O VAL A 33 1.185 7.311 -6.444 1.00 0.00 O ATOM 495 CB VAL A 33 1.207 5.860 -3.540 1.00 0.00 C ATOM 496 CG1 VAL A 33 0.717 7.078 -2.753 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.131 4.591 -2.689 1.00 0.00 C ATOM 0 H VAL A 33 1.624 5.033 -6.423 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.590 5.398 -4.558 1.00 0.00 H new ATOM 0 HB VAL A 33 2.252 6.027 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.293 7.172 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.846 7.977 -3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.338 6.953 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.699 4.735 -1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.090 4.379 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.550 3.753 -3.247 1.00 0.00 H new ATOM 507 N GLN A 34 -0.777 7.714 -5.393 1.00 0.00 N ATOM 508 CA GLN A 34 -1.014 8.972 -6.080 1.00 0.00 C ATOM 509 C GLN A 34 -1.295 10.084 -5.068 1.00 0.00 C ATOM 510 O GLN A 34 -2.266 10.014 -4.316 1.00 0.00 O ATOM 511 CB GLN A 34 -2.162 8.841 -7.083 1.00 0.00 C ATOM 512 CG GLN A 34 -1.875 7.740 -8.105 1.00 0.00 C ATOM 513 CD GLN A 34 -2.353 6.379 -7.595 1.00 0.00 C ATOM 514 OE1 GLN A 34 -3.430 6.238 -7.041 1.00 0.00 O ATOM 515 NE2 GLN A 34 -1.493 5.388 -7.811 1.00 0.00 N ATOM 0 H GLN A 34 -1.502 7.449 -4.726 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.115 9.234 -6.638 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.088 8.618 -6.554 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.310 9.790 -7.598 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.372 7.974 -9.046 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.805 7.700 -8.311 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.607 5.575 -8.281 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.719 4.441 -7.507 1.00 0.00 H new ATOM 524 N LEU A 35 -0.426 11.085 -5.081 1.00 0.00 N ATOM 525 CA LEU A 35 -0.568 12.211 -4.173 1.00 0.00 C ATOM 526 C LEU A 35 -1.824 13.003 -4.543 1.00 0.00 C ATOM 527 O LEU A 35 -2.646 13.310 -3.681 1.00 0.00 O ATOM 528 CB LEU A 35 0.709 13.053 -4.160 1.00 0.00 C ATOM 529 CG LEU A 35 0.791 14.131 -3.077 1.00 0.00 C ATOM 530 CD1 LEU A 35 2.224 14.286 -2.565 1.00 0.00 C ATOM 531 CD2 LEU A 35 0.214 15.457 -3.579 1.00 0.00 C ATOM 0 H LEU A 35 0.378 11.140 -5.706 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.701 11.861 -3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.561 12.383 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.813 13.534 -5.132 1.00 0.00 H new ATOM 0 HG LEU A 35 0.180 13.814 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.254 15.058 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.564 13.340 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.877 14.570 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.284 16.206 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.777 15.793 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.831 15.318 -3.855 1.00 0.00 H new ATOM 543 N LYS A 36 -1.932 13.313 -5.827 1.00 0.00 N ATOM 544 CA LYS A 36 -3.074 14.064 -6.321 1.00 0.00 C ATOM 545 C LYS A 36 -4.244 13.108 -6.558 1.00 0.00 C ATOM 546 O LYS A 36 -4.935 13.206 -7.571 1.00 0.00 O ATOM 547 CB LYS A 36 -2.685 14.878 -7.557 1.00 0.00 C ATOM 548 CG LYS A 36 -3.530 16.149 -7.665 1.00 0.00 C ATOM 549 CD LYS A 36 -4.400 16.123 -8.923 1.00 0.00 C ATOM 550 CE LYS A 36 -5.789 16.699 -8.641 1.00 0.00 C ATOM 551 NZ LYS A 36 -6.409 17.194 -9.890 1.00 0.00 N ATOM 0 H LYS A 36 -1.248 13.058 -6.540 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.402 14.791 -5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.629 15.143 -7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.818 14.271 -8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.163 16.245 -6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.878 17.023 -7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.918 16.697 -9.715 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.494 15.099 -9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.422 15.934 -8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.712 17.512 -7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.351 17.581 -9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.812 17.939 -10.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.500 16.410 -10.567 1.00 0.00 H new ATOM 565 N LYS A 37 -4.431 12.205 -5.607 1.00 0.00 N ATOM 566 CA LYS A 37 -5.506 11.232 -5.699 1.00 0.00 C ATOM 567 C LYS A 37 -6.023 10.914 -4.294 1.00 0.00 C ATOM 568 O LYS A 37 -7.222 10.722 -4.099 1.00 0.00 O ATOM 569 CB LYS A 37 -5.046 9.998 -6.479 1.00 0.00 C ATOM 570 CG LYS A 37 -6.135 9.522 -7.443 1.00 0.00 C ATOM 571 CD LYS A 37 -5.675 8.289 -8.223 1.00 0.00 C ATOM 572 CE LYS A 37 -6.322 8.244 -9.609 1.00 0.00 C ATOM 573 NZ LYS A 37 -7.488 7.332 -9.607 1.00 0.00 N ATOM 0 H LYS A 37 -3.856 12.127 -4.768 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.344 11.643 -6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.139 10.233 -7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.795 9.197 -5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.042 9.287 -6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.387 10.323 -8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.590 8.303 -8.325 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.932 7.387 -7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.637 9.245 -9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.593 7.910 -10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.915 7.313 -10.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.179 6.374 -9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.190 7.668 -8.917 1.00 0.00 H new ATOM 587 N GLU A 38 -5.092 10.869 -3.352 1.00 0.00 N ATOM 588 CA GLU A 38 -5.438 10.578 -1.972 1.00 0.00 C ATOM 589 C GLU A 38 -5.836 9.108 -1.822 1.00 0.00 C ATOM 590 O GLU A 38 -6.694 8.773 -1.007 1.00 0.00 O ATOM 591 CB GLU A 38 -6.555 11.500 -1.480 1.00 0.00 C ATOM 592 CG GLU A 38 -5.988 12.657 -0.656 1.00 0.00 C ATOM 593 CD GLU A 38 -7.013 13.158 0.364 1.00 0.00 C ATOM 594 OE1 GLU A 38 -8.193 12.773 0.219 1.00 0.00 O ATOM 595 OE2 GLU A 38 -6.593 13.915 1.266 1.00 0.00 O ATOM 0 H GLU A 38 -4.098 11.029 -3.518 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.560 10.762 -1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.109 11.893 -2.333 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.262 10.931 -0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.085 12.332 -0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.700 13.473 -1.319 1.00 0.00 H new ATOM 602 N LYS A 39 -5.193 8.270 -2.622 1.00 0.00 N ATOM 603 CA LYS A 39 -5.468 6.844 -2.590 1.00 0.00 C ATOM 604 C LYS A 39 -4.234 6.079 -3.072 1.00 0.00 C ATOM 605 O LYS A 39 -3.440 6.604 -3.851 1.00 0.00 O ATOM 606 CB LYS A 39 -6.738 6.525 -3.382 1.00 0.00 C ATOM 607 CG LYS A 39 -7.132 7.698 -4.282 1.00 0.00 C ATOM 608 CD LYS A 39 -8.317 7.329 -5.176 1.00 0.00 C ATOM 609 CE LYS A 39 -9.501 8.267 -4.931 1.00 0.00 C ATOM 610 NZ LYS A 39 -10.772 7.602 -5.295 1.00 0.00 N ATOM 0 H LYS A 39 -4.482 8.552 -3.297 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.666 6.518 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.578 5.634 -3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.553 6.300 -2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.390 8.561 -3.668 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.282 7.988 -4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.018 7.381 -6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.618 6.300 -4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.526 8.564 -3.883 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.379 9.178 -5.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.566 8.252 -5.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.751 7.340 -6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.894 6.746 -4.717 1.00 0.00 H new ATOM 624 N ALA A 40 -4.112 4.851 -2.590 1.00 0.00 N ATOM 625 CA ALA A 40 -2.989 4.009 -2.962 1.00 0.00 C ATOM 626 C ALA A 40 -3.513 2.694 -3.543 1.00 0.00 C ATOM 627 O ALA A 40 -4.557 2.198 -3.123 1.00 0.00 O ATOM 628 CB ALA A 40 -2.088 3.790 -1.745 1.00 0.00 C ATOM 0 H ALA A 40 -4.773 4.419 -1.945 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.386 4.493 -3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.245 3.158 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.718 4.751 -1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.658 3.305 -0.953 1.00 0.00 H new ATOM 634 N VAL A 41 -2.763 2.166 -4.500 1.00 0.00 N ATOM 635 CA VAL A 41 -3.139 0.918 -5.142 1.00 0.00 C ATOM 636 C VAL A 41 -2.072 -0.140 -4.855 1.00 0.00 C ATOM 637 O VAL A 41 -0.895 0.185 -4.705 1.00 0.00 O ATOM 638 CB VAL A 41 -3.367 1.147 -6.638 1.00 0.00 C ATOM 639 CG1 VAL A 41 -3.616 -0.176 -7.364 1.00 0.00 C ATOM 640 CG2 VAL A 41 -4.518 2.127 -6.873 1.00 0.00 C ATOM 0 H VAL A 41 -1.897 2.580 -4.846 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.081 0.548 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.461 1.589 -7.051 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.775 0.016 -8.425 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.752 -0.828 -7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.499 -0.660 -6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.659 2.272 -7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.433 1.725 -6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.283 3.083 -6.405 1.00 0.00 H new ATOM 650 N VAL A 42 -2.522 -1.385 -4.788 1.00 0.00 N ATOM 651 CA VAL A 42 -1.620 -2.493 -4.522 1.00 0.00 C ATOM 652 C VAL A 42 -2.089 -3.724 -5.299 1.00 0.00 C ATOM 653 O VAL A 42 -3.289 -3.951 -5.445 1.00 0.00 O ATOM 654 CB VAL A 42 -1.523 -2.738 -3.015 1.00 0.00 C ATOM 655 CG1 VAL A 42 -0.695 -3.989 -2.715 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.948 -1.515 -2.297 1.00 0.00 C ATOM 0 H VAL A 42 -3.499 -1.651 -4.913 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.613 -2.257 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.532 -2.905 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.642 -4.140 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.164 -4.856 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.312 -3.863 -3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.890 -1.715 -1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.050 -1.303 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.594 -0.654 -2.470 1.00 0.00 H new ATOM 666 N LYS A 43 -1.118 -4.488 -5.777 1.00 0.00 N ATOM 667 CA LYS A 43 -1.416 -5.691 -6.535 1.00 0.00 C ATOM 668 C LYS A 43 -0.840 -6.906 -5.805 1.00 0.00 C ATOM 669 O LYS A 43 0.188 -7.447 -6.208 1.00 0.00 O ATOM 670 CB LYS A 43 -0.925 -5.551 -7.978 1.00 0.00 C ATOM 671 CG LYS A 43 -1.707 -6.472 -8.915 1.00 0.00 C ATOM 672 CD LYS A 43 -1.240 -6.307 -10.363 1.00 0.00 C ATOM 673 CE LYS A 43 -2.345 -6.703 -11.344 1.00 0.00 C ATOM 674 NZ LYS A 43 -2.432 -8.176 -11.460 1.00 0.00 N ATOM 0 H LYS A 43 -0.124 -4.297 -5.654 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.494 -5.841 -6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.034 -4.517 -8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.137 -5.791 -8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.577 -7.508 -8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.772 -6.249 -8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.947 -5.272 -10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.357 -6.922 -10.536 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.300 -6.302 -11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.144 -6.266 -12.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.187 -8.428 -12.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.525 -8.551 -11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.645 -8.586 -10.528 1.00 0.00 H new ATOM 688 N PHE A 44 -1.527 -7.298 -4.742 1.00 0.00 N ATOM 689 CA PHE A 44 -1.096 -8.438 -3.951 1.00 0.00 C ATOM 690 C PHE A 44 -2.144 -9.553 -3.981 1.00 0.00 C ATOM 691 O PHE A 44 -3.048 -9.538 -4.815 1.00 0.00 O ATOM 692 CB PHE A 44 -0.932 -7.948 -2.512 1.00 0.00 C ATOM 693 CG PHE A 44 -2.254 -7.742 -1.769 1.00 0.00 C ATOM 694 CD1 PHE A 44 -2.911 -6.555 -1.867 1.00 0.00 C ATOM 695 CD2 PHE A 44 -2.772 -8.745 -1.012 1.00 0.00 C ATOM 696 CE1 PHE A 44 -4.138 -6.364 -1.178 1.00 0.00 C ATOM 697 CE2 PHE A 44 -3.999 -8.554 -0.323 1.00 0.00 C ATOM 698 CZ PHE A 44 -4.656 -7.368 -0.421 1.00 0.00 C ATOM 0 H PHE A 44 -2.379 -6.846 -4.410 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.165 -8.839 -4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.326 -8.667 -1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.381 -7.007 -2.520 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.500 -5.758 -2.469 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.250 -9.687 -0.934 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.660 -5.422 -1.255 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.410 -9.351 0.279 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.590 -7.223 0.102 1.00 0.00 H new ATOM 708 N ASP A 45 -1.986 -10.494 -3.062 1.00 0.00 N ATOM 709 CA ASP A 45 -2.907 -11.614 -2.972 1.00 0.00 C ATOM 710 C ASP A 45 -3.138 -11.963 -1.500 1.00 0.00 C ATOM 711 O ASP A 45 -2.202 -11.950 -0.702 1.00 0.00 O ATOM 712 CB ASP A 45 -2.338 -12.852 -3.668 1.00 0.00 C ATOM 713 CG ASP A 45 -3.379 -13.888 -4.097 1.00 0.00 C ATOM 714 OD1 ASP A 45 -4.580 -13.556 -4.011 1.00 0.00 O ATOM 715 OD2 ASP A 45 -2.949 -14.990 -4.502 1.00 0.00 O ATOM 0 H ASP A 45 -1.234 -10.504 -2.373 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.839 -11.324 -3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.782 -12.532 -4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.625 -13.332 -2.998 1.00 0.00 H new ATOM 720 N GLU A 46 -4.388 -12.267 -1.186 1.00 0.00 N ATOM 721 CA GLU A 46 -4.753 -12.619 0.176 1.00 0.00 C ATOM 722 C GLU A 46 -4.152 -13.975 0.553 1.00 0.00 C ATOM 723 O GLU A 46 -4.237 -14.396 1.706 1.00 0.00 O ATOM 724 CB GLU A 46 -6.273 -12.625 0.352 1.00 0.00 C ATOM 725 CG GLU A 46 -6.670 -12.045 1.711 1.00 0.00 C ATOM 726 CD GLU A 46 -7.575 -13.013 2.477 1.00 0.00 C ATOM 727 OE1 GLU A 46 -8.805 -12.921 2.274 1.00 0.00 O ATOM 728 OE2 GLU A 46 -7.016 -13.823 3.248 1.00 0.00 O ATOM 0 H GLU A 46 -5.161 -12.277 -1.851 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.345 -11.863 0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.737 -12.044 -0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.649 -13.644 0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.775 -11.837 2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.185 -11.095 1.569 1.00 0.00 H new ATOM 735 N ALA A 47 -3.558 -14.620 -0.440 1.00 0.00 N ATOM 736 CA ALA A 47 -2.943 -15.919 -0.227 1.00 0.00 C ATOM 737 C ALA A 47 -1.531 -15.725 0.328 1.00 0.00 C ATOM 738 O ALA A 47 -0.927 -16.666 0.840 1.00 0.00 O ATOM 739 CB ALA A 47 -2.951 -16.709 -1.537 1.00 0.00 C ATOM 0 H ALA A 47 -3.490 -14.267 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.509 -16.496 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.490 -17.683 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.979 -16.845 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.390 -16.162 -2.295 1.00 0.00 H new ATOM 745 N ASN A 48 -1.046 -14.498 0.208 1.00 0.00 N ATOM 746 CA ASN A 48 0.284 -14.168 0.692 1.00 0.00 C ATOM 747 C ASN A 48 0.180 -13.065 1.746 1.00 0.00 C ATOM 748 O ASN A 48 0.669 -13.221 2.864 1.00 0.00 O ATOM 749 CB ASN A 48 1.171 -13.655 -0.444 1.00 0.00 C ATOM 750 CG ASN A 48 0.565 -13.990 -1.808 1.00 0.00 C ATOM 751 OD1 ASN A 48 0.077 -15.082 -2.048 1.00 0.00 O ATOM 752 ND2 ASN A 48 0.624 -12.993 -2.686 1.00 0.00 N ATOM 0 H ASN A 48 -1.550 -13.720 -0.217 1.00 0.00 H new ATOM 0 HA ASN A 48 0.724 -15.072 1.113 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.296 -12.576 -0.353 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.163 -14.099 -0.364 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.247 -13.118 -3.625 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.046 -12.103 -2.420 1.00 0.00 H new ATOM 759 N VAL A 49 -0.461 -11.973 1.353 1.00 0.00 N ATOM 760 CA VAL A 49 -0.636 -10.844 2.251 1.00 0.00 C ATOM 761 C VAL A 49 -2.070 -10.323 2.135 1.00 0.00 C ATOM 762 O VAL A 49 -2.700 -10.458 1.087 1.00 0.00 O ATOM 763 CB VAL A 49 0.415 -9.773 1.954 1.00 0.00 C ATOM 764 CG1 VAL A 49 0.161 -9.116 0.596 1.00 0.00 C ATOM 765 CG2 VAL A 49 0.461 -8.726 3.069 1.00 0.00 C ATOM 0 H VAL A 49 -0.865 -11.847 0.425 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.485 -11.151 3.286 1.00 0.00 H new ATOM 0 HB VAL A 49 1.388 -10.262 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.923 -8.359 0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.203 -9.872 -0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.823 -8.648 0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.216 -7.976 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.513 -8.245 3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.713 -9.210 4.013 1.00 0.00 H new ATOM 775 N GLN A 50 -2.543 -9.739 3.226 1.00 0.00 N ATOM 776 CA GLN A 50 -3.891 -9.198 3.260 1.00 0.00 C ATOM 777 C GLN A 50 -3.852 -7.671 3.162 1.00 0.00 C ATOM 778 O GLN A 50 -2.946 -7.034 3.696 1.00 0.00 O ATOM 779 CB GLN A 50 -4.631 -9.648 4.521 1.00 0.00 C ATOM 780 CG GLN A 50 -4.394 -11.134 4.795 1.00 0.00 C ATOM 781 CD GLN A 50 -4.726 -11.484 6.247 1.00 0.00 C ATOM 782 OE1 GLN A 50 -3.970 -11.215 7.166 1.00 0.00 O ATOM 783 NE2 GLN A 50 -5.896 -12.096 6.402 1.00 0.00 N ATOM 0 H GLN A 50 -2.017 -9.629 4.093 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.439 -9.584 2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.294 -9.059 5.374 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.699 -9.461 4.406 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.008 -11.734 4.123 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.354 -11.385 4.585 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.481 -12.291 5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.209 -12.370 7.333 1.00 0.00 H new ATOM 792 N ALA A 51 -4.847 -7.129 2.476 1.00 0.00 N ATOM 793 CA ALA A 51 -4.938 -5.689 2.301 1.00 0.00 C ATOM 794 C ALA A 51 -4.953 -5.013 3.673 1.00 0.00 C ATOM 795 O ALA A 51 -4.264 -4.017 3.886 1.00 0.00 O ATOM 796 CB ALA A 51 -6.179 -5.353 1.472 1.00 0.00 C ATOM 0 H ALA A 51 -5.597 -7.661 2.035 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.071 -5.313 1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.247 -4.273 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.106 -5.833 0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.069 -5.713 1.988 1.00 0.00 H new ATOM 802 N THR A 52 -5.747 -5.582 4.569 1.00 0.00 N ATOM 803 CA THR A 52 -5.861 -5.047 5.915 1.00 0.00 C ATOM 804 C THR A 52 -4.474 -4.848 6.529 1.00 0.00 C ATOM 805 O THR A 52 -4.234 -3.861 7.224 1.00 0.00 O ATOM 806 CB THR A 52 -6.754 -5.989 6.724 1.00 0.00 C ATOM 807 OG1 THR A 52 -7.967 -5.260 6.890 1.00 0.00 O ATOM 808 CG2 THR A 52 -6.245 -6.195 8.153 1.00 0.00 C ATOM 0 H THR A 52 -6.317 -6.408 4.389 1.00 0.00 H new ATOM 0 HA THR A 52 -6.324 -4.060 5.911 1.00 0.00 H new ATOM 0 HB THR A 52 -6.817 -6.953 6.218 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.605 -5.799 7.403 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.915 -6.872 8.684 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.244 -6.624 8.124 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.214 -5.236 8.670 1.00 0.00 H new ATOM 816 N GLU A 53 -3.596 -5.800 6.250 1.00 0.00 N ATOM 817 CA GLU A 53 -2.239 -5.742 6.766 1.00 0.00 C ATOM 818 C GLU A 53 -1.490 -4.555 6.157 1.00 0.00 C ATOM 819 O GLU A 53 -0.771 -3.845 6.858 1.00 0.00 O ATOM 820 CB GLU A 53 -1.496 -7.053 6.504 1.00 0.00 C ATOM 821 CG GLU A 53 -0.931 -7.633 7.802 1.00 0.00 C ATOM 822 CD GLU A 53 0.455 -8.238 7.575 1.00 0.00 C ATOM 823 OE1 GLU A 53 1.435 -7.469 7.681 1.00 0.00 O ATOM 824 OE2 GLU A 53 0.505 -9.457 7.300 1.00 0.00 O ATOM 0 H GLU A 53 -3.798 -6.616 5.673 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.287 -5.600 7.846 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.173 -7.773 6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.686 -6.880 5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.870 -6.850 8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.606 -8.397 8.187 1.00 0.00 H new ATOM 831 N ILE A 54 -1.684 -4.378 4.858 1.00 0.00 N ATOM 832 CA ILE A 54 -1.035 -3.290 4.147 1.00 0.00 C ATOM 833 C ILE A 54 -1.471 -1.956 4.757 1.00 0.00 C ATOM 834 O ILE A 54 -0.661 -1.042 4.903 1.00 0.00 O ATOM 835 CB ILE A 54 -1.305 -3.396 2.645 1.00 0.00 C ATOM 836 CG1 ILE A 54 -0.488 -4.528 2.019 1.00 0.00 C ATOM 837 CG2 ILE A 54 -1.056 -2.057 1.947 1.00 0.00 C ATOM 838 CD1 ILE A 54 -0.757 -4.634 0.517 1.00 0.00 C ATOM 0 H ILE A 54 -2.281 -4.970 4.280 1.00 0.00 H new ATOM 0 HA ILE A 54 0.047 -3.354 4.259 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.357 -3.642 2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.574 -4.352 2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.737 -5.472 2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.255 -2.160 0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.717 -1.299 2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.019 -1.757 2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.164 -5.446 0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.815 -4.834 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.484 -3.697 0.031 1.00 0.00 H new ATOM 850 N CYS A 55 -2.750 -1.887 5.097 1.00 0.00 N ATOM 851 CA CYS A 55 -3.303 -0.680 5.688 1.00 0.00 C ATOM 852 C CYS A 55 -2.532 -0.379 6.975 1.00 0.00 C ATOM 853 O CYS A 55 -2.194 0.772 7.245 1.00 0.00 O ATOM 854 CB CYS A 55 -4.806 -0.811 5.940 1.00 0.00 C ATOM 855 SG CYS A 55 -5.724 0.364 4.880 1.00 0.00 S ATOM 0 H CYS A 55 -3.419 -2.647 4.975 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.189 0.153 4.994 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.130 -1.831 5.732 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.025 -0.614 6.989 1.00 0.00 H new ATOM 0 HG CYS A 55 -5.317 0.249 3.651 1.00 0.00 H new ATOM 861 N GLN A 56 -2.277 -1.434 7.735 1.00 0.00 N ATOM 862 CA GLN A 56 -1.553 -1.297 8.987 1.00 0.00 C ATOM 863 C GLN A 56 -0.142 -0.765 8.729 1.00 0.00 C ATOM 864 O GLN A 56 0.328 0.127 9.434 1.00 0.00 O ATOM 865 CB GLN A 56 -1.507 -2.627 9.742 1.00 0.00 C ATOM 866 CG GLN A 56 -1.801 -2.422 11.230 1.00 0.00 C ATOM 867 CD GLN A 56 -3.200 -1.838 11.437 1.00 0.00 C ATOM 868 OE1 GLN A 56 -4.187 -2.318 10.905 1.00 0.00 O ATOM 869 NE2 GLN A 56 -3.229 -0.777 12.239 1.00 0.00 N ATOM 0 H GLN A 56 -2.559 -2.387 7.508 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.082 -0.579 9.613 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.235 -3.317 9.315 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.525 -3.084 9.621 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.719 -3.374 11.755 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.056 -1.754 11.663 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.365 -0.426 12.652 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.115 -0.314 12.441 1.00 0.00 H new ATOM 878 N ALA A 57 0.495 -1.334 7.716 1.00 0.00 N ATOM 879 CA ALA A 57 1.842 -0.928 7.355 1.00 0.00 C ATOM 880 C ALA A 57 1.870 0.584 7.123 1.00 0.00 C ATOM 881 O ALA A 57 2.803 1.264 7.547 1.00 0.00 O ATOM 882 CB ALA A 57 2.302 -1.715 6.126 1.00 0.00 C ATOM 0 H ALA A 57 0.102 -2.074 7.134 1.00 0.00 H new ATOM 0 HA ALA A 57 2.538 -1.151 8.163 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.313 -1.410 5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.293 -2.781 6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.628 -1.516 5.293 1.00 0.00 H new ATOM 888 N ILE A 58 0.835 1.066 6.451 1.00 0.00 N ATOM 889 CA ILE A 58 0.729 2.485 6.157 1.00 0.00 C ATOM 890 C ILE A 58 0.643 3.268 7.469 1.00 0.00 C ATOM 891 O ILE A 58 1.435 4.179 7.705 1.00 0.00 O ATOM 892 CB ILE A 58 -0.440 2.750 5.206 1.00 0.00 C ATOM 893 CG1 ILE A 58 -0.166 2.158 3.823 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.764 4.243 5.137 1.00 0.00 C ATOM 895 CD1 ILE A 58 -1.473 1.826 3.099 1.00 0.00 C ATOM 0 H ILE A 58 0.062 0.499 6.102 1.00 0.00 H new ATOM 0 HA ILE A 58 1.620 2.833 5.634 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.323 2.248 5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.413 2.865 3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.438 1.256 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.598 4.403 4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.033 4.603 6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.109 4.788 4.778 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.249 1.407 2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.039 1.100 3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.063 2.734 2.979 1.00 0.00 H new ATOM 907 N ASN A 59 -0.324 2.884 8.289 1.00 0.00 N ATOM 908 CA ASN A 59 -0.523 3.538 9.570 1.00 0.00 C ATOM 909 C ASN A 59 0.709 3.313 10.450 1.00 0.00 C ATOM 910 O ASN A 59 0.979 4.097 11.359 1.00 0.00 O ATOM 911 CB ASN A 59 -1.737 2.962 10.301 1.00 0.00 C ATOM 912 CG ASN A 59 -3.002 3.761 9.980 1.00 0.00 C ATOM 913 OD1 ASN A 59 -2.988 4.713 9.216 1.00 0.00 O ATOM 914 ND2 ASN A 59 -4.092 3.324 10.603 1.00 0.00 N ATOM 0 H ASN A 59 -0.979 2.127 8.090 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.685 4.600 9.384 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.878 1.920 10.013 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.558 2.975 11.376 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.986 3.791 10.454 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.034 2.521 11.230 1.00 0.00 H new ATOM 921 N GLU A 60 1.423 2.239 10.149 1.00 0.00 N ATOM 922 CA GLU A 60 2.619 1.901 10.900 1.00 0.00 C ATOM 923 C GLU A 60 3.693 2.972 10.699 1.00 0.00 C ATOM 924 O GLU A 60 4.709 2.977 11.393 1.00 0.00 O ATOM 925 CB GLU A 60 3.143 0.519 10.504 1.00 0.00 C ATOM 926 CG GLU A 60 4.131 -0.012 11.545 1.00 0.00 C ATOM 927 CD GLU A 60 4.594 -1.427 11.191 1.00 0.00 C ATOM 928 OE1 GLU A 60 5.065 -1.600 10.046 1.00 0.00 O ATOM 929 OE2 GLU A 60 4.465 -2.303 12.073 1.00 0.00 O ATOM 0 H GLU A 60 1.196 1.591 9.395 1.00 0.00 H new ATOM 0 HA GLU A 60 2.361 1.866 11.959 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.309 -0.175 10.402 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.630 0.576 9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.993 0.652 11.605 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.662 -0.015 12.529 1.00 0.00 H new ATOM 936 N LEU A 61 3.432 3.855 9.746 1.00 0.00 N ATOM 937 CA LEU A 61 4.363 4.929 9.445 1.00 0.00 C ATOM 938 C LEU A 61 4.049 6.134 10.334 1.00 0.00 C ATOM 939 O LEU A 61 4.754 6.391 11.309 1.00 0.00 O ATOM 940 CB LEU A 61 4.347 5.248 7.949 1.00 0.00 C ATOM 941 CG LEU A 61 4.372 4.044 7.006 1.00 0.00 C ATOM 942 CD1 LEU A 61 4.247 4.487 5.547 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.619 3.189 7.241 1.00 0.00 C ATOM 0 H LEU A 61 2.589 3.848 9.172 1.00 0.00 H new ATOM 0 HA LEU A 61 5.384 4.623 9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.455 5.835 7.733 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.207 5.879 7.723 1.00 0.00 H new ATOM 0 HG LEU A 61 3.507 3.419 7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.268 3.612 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.306 5.020 5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.078 5.146 5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.612 2.340 6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.511 3.790 7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.624 2.827 8.269 1.00 0.00 H new ATOM 955 N GLY A 62 2.991 6.841 9.966 1.00 0.00 N ATOM 956 CA GLY A 62 2.576 8.013 10.718 1.00 0.00 C ATOM 957 C GLY A 62 1.478 8.779 9.978 1.00 0.00 C ATOM 958 O GLY A 62 1.458 10.009 9.990 1.00 0.00 O ATOM 0 H GLY A 62 2.409 6.625 9.157 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.214 7.710 11.700 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.433 8.666 10.882 1.00 0.00 H new ATOM 962 N TYR A 63 0.591 8.020 9.350 1.00 0.00 N ATOM 963 CA TYR A 63 -0.507 8.612 8.606 1.00 0.00 C ATOM 964 C TYR A 63 -1.766 7.749 8.706 1.00 0.00 C ATOM 965 O TYR A 63 -1.799 6.778 9.461 1.00 0.00 O ATOM 966 CB TYR A 63 -0.050 8.659 7.146 1.00 0.00 C ATOM 967 CG TYR A 63 1.468 8.730 6.972 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.156 9.858 7.370 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.149 7.667 6.415 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.585 9.925 7.206 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.578 7.734 6.250 1.00 0.00 C ATOM 972 CZ TYR A 63 4.226 8.860 6.654 1.00 0.00 C ATOM 973 OH TYR A 63 5.575 8.924 6.498 1.00 0.00 O ATOM 0 H TYR A 63 0.611 7.000 9.342 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.750 9.599 9.001 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.424 7.774 6.630 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.502 9.525 6.662 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.623 10.691 7.804 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.610 6.785 6.103 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.136 10.801 7.514 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.123 6.909 5.815 1.00 0.00 H new ATOM 0 HH TYR A 63 5.897 8.092 6.092 1.00 0.00 H new ATOM 983 N GLN A 64 -2.772 8.133 7.935 1.00 0.00 N ATOM 984 CA GLN A 64 -4.030 7.406 7.927 1.00 0.00 C ATOM 985 C GLN A 64 -4.159 6.582 6.644 1.00 0.00 C ATOM 986 O GLN A 64 -3.733 7.019 5.576 1.00 0.00 O ATOM 987 CB GLN A 64 -5.215 8.360 8.088 1.00 0.00 C ATOM 988 CG GLN A 64 -6.200 7.839 9.136 1.00 0.00 C ATOM 989 CD GLN A 64 -6.427 8.875 10.239 1.00 0.00 C ATOM 990 OE1 GLN A 64 -5.501 9.394 10.839 1.00 0.00 O ATOM 991 NE2 GLN A 64 -7.709 9.146 10.471 1.00 0.00 N ATOM 0 H GLN A 64 -2.742 8.939 7.311 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.038 6.723 8.776 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.855 9.346 8.381 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.724 8.477 7.132 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.150 7.597 8.659 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.818 6.916 9.572 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.436 8.675 9.932 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.965 9.825 11.188 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.750 5.405 6.792 1.00 0.00 N ATOM 1001 CA ALA A 65 -4.941 4.517 5.659 1.00 0.00 C ATOM 1002 C ALA A 65 -6.253 3.750 5.833 1.00 0.00 C ATOM 1003 O ALA A 65 -6.598 3.346 6.943 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.733 3.585 5.531 1.00 0.00 C ATOM 0 H ALA A 65 -5.103 5.046 7.679 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.013 5.087 4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.876 2.918 4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.831 4.178 5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.631 2.995 6.442 1.00 0.00 H new ATOM 1010 N GLU A 66 -6.949 3.571 4.720 1.00 0.00 N ATOM 1011 CA GLU A 66 -8.216 2.860 4.736 1.00 0.00 C ATOM 1012 C GLU A 66 -8.507 2.263 3.357 1.00 0.00 C ATOM 1013 O GLU A 66 -8.385 2.948 2.342 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.354 3.777 5.188 1.00 0.00 C ATOM 1015 CG GLU A 66 -9.731 3.505 6.646 1.00 0.00 C ATOM 1016 CD GLU A 66 -10.691 4.574 7.172 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -10.232 5.728 7.316 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -11.862 4.213 7.417 1.00 0.00 O ATOM 0 H GLU A 66 -6.659 3.906 3.801 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.144 2.044 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.053 4.819 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.224 3.625 4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.195 2.522 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.831 3.485 7.261 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.886 0.994 3.365 1.00 0.00 N ATOM 1026 CA VAL A 67 -9.196 0.297 2.128 1.00 0.00 C ATOM 1027 C VAL A 67 -10.413 0.951 1.470 1.00 0.00 C ATOM 1028 O VAL A 67 -11.452 1.117 2.107 1.00 0.00 O ATOM 1029 CB VAL A 67 -9.394 -1.195 2.402 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.832 -1.932 1.135 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -8.125 -1.818 2.989 1.00 0.00 C ATOM 0 H VAL A 67 -8.986 0.430 4.209 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.365 0.377 1.427 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.189 -1.297 3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.966 -2.991 1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.774 -1.515 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.069 -1.817 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.293 -2.879 3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.302 -1.698 2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.876 -1.321 3.926 1.00 0.00 H new ATOM 1041 N ILE A 68 -10.243 1.304 0.204 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.315 1.935 -0.546 1.00 0.00 C ATOM 1043 C ILE A 68 -12.116 0.862 -1.285 1.00 0.00 C ATOM 1044 O ILE A 68 -12.984 0.216 -0.699 1.00 0.00 O ATOM 1045 CB ILE A 68 -10.756 3.025 -1.463 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -10.087 4.136 -0.651 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -11.844 3.571 -2.392 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -9.372 5.131 -1.567 1.00 0.00 C ATOM 0 H ILE A 68 -9.379 1.165 -0.321 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.006 2.440 0.129 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.987 2.579 -2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.836 4.658 -0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.372 3.701 0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.421 4.344 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.235 2.762 -3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.652 3.996 -1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.905 5.910 -0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.607 4.610 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.094 5.583 -2.248 1.00 0.00 H new