USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 473 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 3 MET CE :methyl -158:sc= -0.256 (180deg=-0.977) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 76:sc= 0.932 USER MOD Single : A 12 MET CE :methyl -110:sc= -0.0231 (180deg=-2.39!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -4.76! C(o=-4.8!,f=-5.7!) USER MOD Single : A 17 GLN : amide:sc= -0.0911 K(o=-0.091,f=-1.1) USER MOD Single : A 20 SER OG : rot 6:sc= 0.25 USER MOD Single : A 21 THR OG1 : rot -49:sc= 0.388 USER MOD Single : A 23 SER OG : rot -170:sc= 0.211 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -107:sc= 0.65 USER MOD Single : A 38 TYR OH : rot 7:sc= 0.213 USER MOD Single : A 40 MET CE :methyl -130:sc= -4! (180deg=-4.84!) USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= 0.264 (180deg=-0.624) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -168:sc= -8.45! (180deg=-8.93!) USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= -0.0825 (180deg=-0.556) USER MOD Single : A 55 TYR OH : rot -173:sc= 0.983 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 20 N MET A 3 -8.646 -3.836 8.746 1.00 0.00 N ATOM 21 CA MET A 3 -7.963 -3.031 9.752 1.00 0.00 C ATOM 22 C MET A 3 -6.487 -3.382 9.783 1.00 0.00 C ATOM 23 O MET A 3 -5.628 -2.553 9.478 1.00 0.00 O ATOM 24 CB MET A 3 -8.567 -3.267 11.139 1.00 0.00 C ATOM 25 CG MET A 3 -10.030 -2.878 11.253 1.00 0.00 C ATOM 26 SD MET A 3 -10.708 -3.211 12.892 1.00 0.00 S ATOM 27 CE MET A 3 -10.465 -4.984 13.000 1.00 0.00 C ATOM 0 HA MET A 3 -8.086 -1.981 9.487 1.00 0.00 H new ATOM 0 HB2 MET A 3 -8.462 -4.321 11.395 1.00 0.00 H new ATOM 0 HB3 MET A 3 -7.994 -2.702 11.874 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.139 -1.817 11.027 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.607 -3.424 10.507 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.152 -5.401 13.736 1.00 0.00 H new ATOM 0 HE2 MET A 3 -10.656 -5.437 12.027 1.00 0.00 H new ATOM 0 HE3 MET A 3 -9.439 -5.193 13.302 1.00 0.00 H new ATOM 37 N GLU A 4 -6.211 -4.638 10.115 1.00 0.00 N ATOM 38 CA GLU A 4 -4.857 -5.126 10.298 1.00 0.00 C ATOM 39 C GLU A 4 -4.033 -4.933 9.033 1.00 0.00 C ATOM 40 O GLU A 4 -2.989 -4.274 9.040 1.00 0.00 O ATOM 41 CB GLU A 4 -4.904 -6.591 10.640 1.00 0.00 C ATOM 42 CG GLU A 4 -5.981 -6.920 11.639 1.00 0.00 C ATOM 43 CD GLU A 4 -7.192 -7.528 10.965 1.00 0.00 C ATOM 44 OE1 GLU A 4 -8.036 -6.763 10.449 1.00 0.00 O ATOM 45 OE2 GLU A 4 -7.284 -8.772 10.899 1.00 0.00 O ATOM 0 H GLU A 4 -6.928 -5.348 10.265 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.389 -4.562 11.105 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.070 -7.167 9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.937 -6.898 11.040 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.590 -7.614 12.383 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.275 -6.015 12.171 1.00 0.00 H new ATOM 52 N ALA A 5 -4.540 -5.499 7.945 1.00 0.00 N ATOM 53 CA ALA A 5 -3.849 -5.487 6.666 1.00 0.00 C ATOM 54 C ALA A 5 -3.704 -4.073 6.119 1.00 0.00 C ATOM 55 O ALA A 5 -2.705 -3.753 5.479 1.00 0.00 O ATOM 56 CB ALA A 5 -4.588 -6.364 5.675 1.00 0.00 C ATOM 0 H ALA A 5 -5.440 -5.978 7.926 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.845 -5.882 6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.066 -6.351 4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.629 -7.386 6.053 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.602 -5.986 5.540 1.00 0.00 H new ATOM 62 N GLU A 6 -4.699 -3.230 6.374 1.00 0.00 N ATOM 63 CA GLU A 6 -4.661 -1.845 5.920 1.00 0.00 C ATOM 64 C GLU A 6 -3.501 -1.115 6.574 1.00 0.00 C ATOM 65 O GLU A 6 -2.677 -0.509 5.898 1.00 0.00 O ATOM 66 CB GLU A 6 -5.957 -1.122 6.261 1.00 0.00 C ATOM 67 CG GLU A 6 -6.036 0.282 5.687 1.00 0.00 C ATOM 68 CD GLU A 6 -7.269 1.039 6.128 1.00 0.00 C ATOM 69 OE1 GLU A 6 -8.326 0.896 5.481 1.00 0.00 O ATOM 70 OE2 GLU A 6 -7.184 1.800 7.117 1.00 0.00 O ATOM 0 H GLU A 6 -5.541 -3.481 6.892 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.534 -1.851 4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.799 -1.706 5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.060 -1.069 7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.149 0.840 5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.024 0.224 4.599 1.00 0.00 H new ATOM 77 N LYS A 7 -3.439 -1.183 7.896 1.00 0.00 N ATOM 78 CA LYS A 7 -2.385 -0.513 8.640 1.00 0.00 C ATOM 79 C LYS A 7 -1.023 -1.107 8.298 1.00 0.00 C ATOM 80 O LYS A 7 -0.031 -0.385 8.217 1.00 0.00 O ATOM 81 CB LYS A 7 -2.647 -0.593 10.139 1.00 0.00 C ATOM 82 CG LYS A 7 -4.007 -0.047 10.536 1.00 0.00 C ATOM 83 CD LYS A 7 -4.151 0.065 12.042 1.00 0.00 C ATOM 84 CE LYS A 7 -3.237 1.139 12.604 1.00 0.00 C ATOM 85 NZ LYS A 7 -3.373 1.269 14.078 1.00 0.00 N ATOM 0 H LYS A 7 -4.106 -1.695 8.474 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.381 0.538 8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.571 -1.632 10.460 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.871 -0.039 10.667 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.151 0.934 10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.789 -0.697 10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.186 0.296 12.295 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.917 -0.894 12.504 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.203 0.902 12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.468 2.094 12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.732 2.013 14.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.354 1.520 14.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.128 0.365 14.530 1.00 0.00 H new ATOM 99 N GLU A 8 -0.984 -2.420 8.073 1.00 0.00 N ATOM 100 CA GLU A 8 0.240 -3.079 7.619 1.00 0.00 C ATOM 101 C GLU A 8 0.664 -2.525 6.267 1.00 0.00 C ATOM 102 O GLU A 8 1.849 -2.343 6.003 1.00 0.00 O ATOM 103 CB GLU A 8 0.045 -4.594 7.512 1.00 0.00 C ATOM 104 CG GLU A 8 0.034 -5.311 8.851 1.00 0.00 C ATOM 105 CD GLU A 8 1.327 -5.124 9.618 1.00 0.00 C ATOM 106 OE1 GLU A 8 2.325 -5.785 9.272 1.00 0.00 O ATOM 107 OE2 GLU A 8 1.349 -4.312 10.567 1.00 0.00 O ATOM 0 H GLU A 8 -1.781 -3.045 8.197 1.00 0.00 H new ATOM 0 HA GLU A 8 1.019 -2.881 8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.895 -4.794 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.842 -5.010 6.895 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.798 -4.941 9.451 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.138 -6.375 8.689 1.00 0.00 H new ATOM 114 N PHE A 9 -0.323 -2.250 5.428 1.00 0.00 N ATOM 115 CA PHE A 9 -0.098 -1.713 4.093 1.00 0.00 C ATOM 116 C PHE A 9 0.365 -0.257 4.177 1.00 0.00 C ATOM 117 O PHE A 9 1.267 0.153 3.452 1.00 0.00 O ATOM 118 CB PHE A 9 -1.406 -1.833 3.292 1.00 0.00 C ATOM 119 CG PHE A 9 -1.309 -1.451 1.836 1.00 0.00 C ATOM 120 CD1 PHE A 9 -1.305 -0.122 1.440 1.00 0.00 C ATOM 121 CD2 PHE A 9 -1.252 -2.432 0.860 1.00 0.00 C ATOM 122 CE1 PHE A 9 -1.240 0.219 0.103 1.00 0.00 C ATOM 123 CE2 PHE A 9 -1.193 -2.097 -0.479 1.00 0.00 C ATOM 124 CZ PHE A 9 -1.186 -0.771 -0.859 1.00 0.00 C ATOM 0 H PHE A 9 -1.307 -2.393 5.654 1.00 0.00 H new ATOM 0 HA PHE A 9 0.687 -2.277 3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.760 -2.862 3.358 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.161 -1.206 3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.353 0.657 2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.254 -3.472 1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.231 1.258 -0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.152 -2.874 -1.228 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.138 -0.508 -1.905 1.00 0.00 H new ATOM 134 N ILE A 10 -0.217 0.505 5.098 1.00 0.00 N ATOM 135 CA ILE A 10 0.143 1.911 5.266 1.00 0.00 C ATOM 136 C ILE A 10 1.533 2.034 5.883 1.00 0.00 C ATOM 137 O ILE A 10 2.325 2.898 5.507 1.00 0.00 O ATOM 138 CB ILE A 10 -0.877 2.646 6.164 1.00 0.00 C ATOM 139 CG1 ILE A 10 -2.286 2.525 5.582 1.00 0.00 C ATOM 140 CG2 ILE A 10 -0.496 4.111 6.336 1.00 0.00 C ATOM 141 CD1 ILE A 10 -2.455 3.175 4.223 1.00 0.00 C ATOM 0 H ILE A 10 -0.939 0.174 5.739 1.00 0.00 H new ATOM 0 HA ILE A 10 0.138 2.372 4.278 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.864 2.175 7.147 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.544 1.469 5.502 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.994 2.975 6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.230 4.606 6.972 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.489 4.179 6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.474 4.598 5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.482 3.044 3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.231 4.239 4.298 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.774 2.710 3.510 1.00 0.00 H new ATOM 153 N THR A 11 1.834 1.138 6.807 1.00 0.00 N ATOM 154 CA THR A 11 3.156 1.082 7.407 1.00 0.00 C ATOM 155 C THR A 11 4.165 0.519 6.408 1.00 0.00 C ATOM 156 O THR A 11 5.351 0.821 6.468 1.00 0.00 O ATOM 157 CB THR A 11 3.147 0.233 8.697 1.00 0.00 C ATOM 158 OG1 THR A 11 2.140 0.729 9.592 1.00 0.00 O ATOM 159 CG2 THR A 11 4.500 0.274 9.394 1.00 0.00 C ATOM 0 H THR A 11 1.180 0.439 7.158 1.00 0.00 H new ATOM 0 HA THR A 11 3.450 2.097 7.674 1.00 0.00 H new ATOM 0 HB THR A 11 2.931 -0.799 8.422 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.256 0.442 9.281 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.462 -0.333 10.299 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.266 -0.119 8.725 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.742 1.303 9.658 1.00 0.00 H new ATOM 167 N MET A 12 3.666 -0.251 5.454 1.00 0.00 N ATOM 168 CA MET A 12 4.498 -0.832 4.420 1.00 0.00 C ATOM 169 C MET A 12 4.862 0.250 3.433 1.00 0.00 C ATOM 170 O MET A 12 5.953 0.267 2.880 1.00 0.00 O ATOM 171 CB MET A 12 3.768 -1.982 3.717 1.00 0.00 C ATOM 172 CG MET A 12 4.421 -2.431 2.420 1.00 0.00 C ATOM 173 SD MET A 12 3.691 -3.934 1.741 1.00 0.00 S ATOM 174 CE MET A 12 2.061 -3.347 1.293 1.00 0.00 C ATOM 0 H MET A 12 2.677 -0.488 5.377 1.00 0.00 H new ATOM 0 HA MET A 12 5.403 -1.243 4.866 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.713 -2.832 4.397 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.744 -1.674 3.508 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.340 -1.631 1.684 1.00 0.00 H new ATOM 0 HG3 MET A 12 5.484 -2.598 2.594 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.320 -3.786 1.961 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.029 -2.261 1.379 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.840 -3.636 0.266 1.00 0.00 H new ATOM 184 N LEU A 13 3.937 1.178 3.249 1.00 0.00 N ATOM 185 CA LEU A 13 4.177 2.312 2.396 1.00 0.00 C ATOM 186 C LEU A 13 5.231 3.221 3.017 1.00 0.00 C ATOM 187 O LEU A 13 6.102 3.744 2.329 1.00 0.00 O ATOM 188 CB LEU A 13 2.880 3.062 2.164 1.00 0.00 C ATOM 189 CG LEU A 13 1.826 2.261 1.408 1.00 0.00 C ATOM 190 CD1 LEU A 13 0.502 2.972 1.467 1.00 0.00 C ATOM 191 CD2 LEU A 13 2.246 2.035 -0.036 1.00 0.00 C ATOM 0 H LEU A 13 3.014 1.161 3.683 1.00 0.00 H new ATOM 0 HA LEU A 13 4.553 1.967 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.470 3.364 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.095 3.975 1.609 1.00 0.00 H new ATOM 0 HG LEU A 13 1.726 1.285 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.246 2.394 0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.193 3.080 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.598 3.958 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.477 1.461 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.376 2.997 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.187 1.485 -0.059 1.00 0.00 H new ATOM 203 N LYS A 14 5.173 3.363 4.334 1.00 0.00 N ATOM 204 CA LYS A 14 6.162 4.141 5.066 1.00 0.00 C ATOM 205 C LYS A 14 7.520 3.441 5.066 1.00 0.00 C ATOM 206 O LYS A 14 8.566 4.074 4.907 1.00 0.00 O ATOM 207 CB LYS A 14 5.686 4.373 6.488 1.00 0.00 C ATOM 208 CG LYS A 14 4.625 5.435 6.583 1.00 0.00 C ATOM 209 CD LYS A 14 3.902 5.304 7.882 1.00 0.00 C ATOM 210 CE LYS A 14 2.544 5.958 7.816 1.00 0.00 C ATOM 211 NZ LYS A 14 1.774 5.768 9.070 1.00 0.00 N ATOM 0 H LYS A 14 4.448 2.948 4.919 1.00 0.00 H new ATOM 0 HA LYS A 14 6.281 5.103 4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.296 3.439 6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.536 4.658 7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.077 6.424 6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.924 5.339 5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.789 4.250 8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.491 5.761 8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.664 7.024 7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.982 5.543 6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.848 6.233 8.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.637 4.752 9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.297 6.186 9.865 1.00 0.00 H new ATOM 225 N GLU A 15 7.489 2.123 5.228 1.00 0.00 N ATOM 226 CA GLU A 15 8.687 1.312 5.235 1.00 0.00 C ATOM 227 C GLU A 15 9.272 1.151 3.833 1.00 0.00 C ATOM 228 O GLU A 15 10.398 0.694 3.670 1.00 0.00 O ATOM 229 CB GLU A 15 8.355 -0.041 5.839 1.00 0.00 C ATOM 230 CG GLU A 15 8.296 -0.029 7.352 1.00 0.00 C ATOM 231 CD GLU A 15 7.985 -1.390 7.941 1.00 0.00 C ATOM 232 OE1 GLU A 15 6.791 -1.721 8.090 1.00 0.00 O ATOM 233 OE2 GLU A 15 8.934 -2.139 8.260 1.00 0.00 O ATOM 0 H GLU A 15 6.628 1.592 5.358 1.00 0.00 H new ATOM 0 HA GLU A 15 9.447 1.811 5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.395 -0.379 5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.103 -0.767 5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.250 0.322 7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.537 0.683 7.675 1.00 0.00 H new ATOM 240 N ASN A 16 8.496 1.512 2.821 1.00 0.00 N ATOM 241 CA ASN A 16 8.959 1.456 1.436 1.00 0.00 C ATOM 242 C ASN A 16 9.229 2.857 0.903 1.00 0.00 C ATOM 243 O ASN A 16 9.447 3.046 -0.295 1.00 0.00 O ATOM 244 CB ASN A 16 7.936 0.736 0.550 1.00 0.00 C ATOM 245 CG ASN A 16 8.039 -0.779 0.630 1.00 0.00 C ATOM 246 OD1 ASN A 16 7.703 -1.481 -0.317 1.00 0.00 O ATOM 247 ND2 ASN A 16 8.514 -1.294 1.754 1.00 0.00 N ATOM 0 H ASN A 16 7.539 1.848 2.931 1.00 0.00 H new ATOM 0 HA ASN A 16 9.891 0.892 1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.932 1.042 0.843 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.076 1.050 -0.485 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.610 -2.305 1.851 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.784 -0.680 2.522 1.00 0.00 H new ATOM 254 N GLN A 17 9.224 3.834 1.815 1.00 0.00 N ATOM 255 CA GLN A 17 9.488 5.229 1.474 1.00 0.00 C ATOM 256 C GLN A 17 8.536 5.745 0.400 1.00 0.00 C ATOM 257 O GLN A 17 8.898 6.590 -0.419 1.00 0.00 O ATOM 258 CB GLN A 17 10.940 5.375 1.045 1.00 0.00 C ATOM 259 CG GLN A 17 11.884 5.539 2.219 1.00 0.00 C ATOM 260 CD GLN A 17 11.817 6.926 2.826 1.00 0.00 C ATOM 261 OE1 GLN A 17 11.577 7.912 2.128 1.00 0.00 O ATOM 262 NE2 GLN A 17 12.006 7.009 4.132 1.00 0.00 N ATOM 0 H GLN A 17 9.037 3.678 2.806 1.00 0.00 H new ATOM 0 HA GLN A 17 9.312 5.841 2.358 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.234 4.498 0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.034 6.237 0.385 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.642 4.799 2.982 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.904 5.337 1.892 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.203 6.167 4.673 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.955 7.915 4.598 1.00 0.00 H new ATOM 271 N VAL A 18 7.322 5.218 0.410 1.00 0.00 N ATOM 272 CA VAL A 18 6.313 5.579 -0.570 1.00 0.00 C ATOM 273 C VAL A 18 5.729 6.953 -0.264 1.00 0.00 C ATOM 274 O VAL A 18 5.525 7.307 0.899 1.00 0.00 O ATOM 275 CB VAL A 18 5.166 4.543 -0.596 1.00 0.00 C ATOM 276 CG1 VAL A 18 4.117 4.909 -1.633 1.00 0.00 C ATOM 277 CG2 VAL A 18 5.707 3.145 -0.854 1.00 0.00 C ATOM 0 H VAL A 18 7.010 4.530 1.096 1.00 0.00 H new ATOM 0 HA VAL A 18 6.801 5.599 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 18 4.688 4.552 0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.324 4.162 -1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.697 5.886 -1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.577 4.942 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.882 2.433 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.220 3.125 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.407 2.874 -0.064 1.00 0.00 H new ATOM 287 N ASP A 19 5.482 7.725 -1.310 1.00 0.00 N ATOM 288 CA ASP A 19 4.775 8.988 -1.184 1.00 0.00 C ATOM 289 C ASP A 19 4.170 9.370 -2.526 1.00 0.00 C ATOM 290 O ASP A 19 3.971 8.515 -3.388 1.00 0.00 O ATOM 291 CB ASP A 19 5.689 10.111 -0.659 1.00 0.00 C ATOM 292 CG ASP A 19 6.803 10.507 -1.617 1.00 0.00 C ATOM 293 OD1 ASP A 19 6.513 11.152 -2.651 1.00 0.00 O ATOM 294 OD2 ASP A 19 7.978 10.217 -1.317 1.00 0.00 O ATOM 0 H ASP A 19 5.764 7.496 -2.263 1.00 0.00 H new ATOM 0 HA ASP A 19 3.979 8.858 -0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.080 10.989 -0.444 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.132 9.792 0.284 1.00 0.00 H new ATOM 299 N SER A 20 3.884 10.650 -2.689 1.00 0.00 N ATOM 300 CA SER A 20 3.265 11.180 -3.895 1.00 0.00 C ATOM 301 C SER A 20 3.993 10.750 -5.179 1.00 0.00 C ATOM 302 O SER A 20 3.361 10.551 -6.215 1.00 0.00 O ATOM 303 CB SER A 20 3.237 12.702 -3.793 1.00 0.00 C ATOM 304 OG SER A 20 4.492 13.198 -3.343 1.00 0.00 O ATOM 0 H SER A 20 4.076 11.359 -1.982 1.00 0.00 H new ATOM 0 HA SER A 20 2.256 10.774 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.998 13.132 -4.765 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.450 13.011 -3.105 1.00 0.00 H new ATOM 0 HG SER A 20 5.136 12.461 -3.292 1.00 0.00 H new ATOM 310 N THR A 21 5.312 10.578 -5.104 1.00 0.00 N ATOM 311 CA THR A 21 6.113 10.294 -6.291 1.00 0.00 C ATOM 312 C THR A 21 6.138 8.790 -6.620 1.00 0.00 C ATOM 313 O THR A 21 7.065 8.287 -7.260 1.00 0.00 O ATOM 314 CB THR A 21 7.555 10.835 -6.127 1.00 0.00 C ATOM 315 OG1 THR A 21 8.234 10.832 -7.392 1.00 0.00 O ATOM 316 CG2 THR A 21 8.348 10.014 -5.113 1.00 0.00 C ATOM 0 H THR A 21 5.846 10.630 -4.236 1.00 0.00 H new ATOM 0 HA THR A 21 5.640 10.808 -7.128 1.00 0.00 H new ATOM 0 HB THR A 21 7.484 11.857 -5.756 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.127 9.956 -7.819 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.355 10.421 -5.023 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.852 10.055 -4.143 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.404 8.978 -5.448 1.00 0.00 H new ATOM 324 N TRP A 22 5.106 8.080 -6.200 1.00 0.00 N ATOM 325 CA TRP A 22 4.992 6.656 -6.470 1.00 0.00 C ATOM 326 C TRP A 22 3.786 6.366 -7.358 1.00 0.00 C ATOM 327 O TRP A 22 2.729 6.983 -7.213 1.00 0.00 O ATOM 328 CB TRP A 22 4.860 5.887 -5.161 1.00 0.00 C ATOM 329 CG TRP A 22 6.143 5.336 -4.612 1.00 0.00 C ATOM 330 CD1 TRP A 22 7.255 6.021 -4.211 1.00 0.00 C ATOM 331 CD2 TRP A 22 6.416 3.960 -4.375 1.00 0.00 C ATOM 332 NE1 TRP A 22 8.208 5.134 -3.753 1.00 0.00 N ATOM 333 CE2 TRP A 22 7.708 3.862 -3.843 1.00 0.00 C ATOM 334 CE3 TRP A 22 5.684 2.801 -4.572 1.00 0.00 C ATOM 335 CZ2 TRP A 22 8.271 2.628 -3.506 1.00 0.00 C ATOM 336 CZ3 TRP A 22 6.235 1.600 -4.240 1.00 0.00 C ATOM 337 CH2 TRP A 22 7.512 1.516 -3.711 1.00 0.00 C ATOM 0 H TRP A 22 4.329 8.469 -5.666 1.00 0.00 H new ATOM 0 HA TRP A 22 5.893 6.335 -6.992 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.417 6.546 -4.414 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.164 5.062 -5.311 1.00 0.00 H new ATOM 0 HD1 TRP A 22 7.371 7.094 -4.247 1.00 0.00 H new ATOM 0 HE1 TRP A 22 9.133 5.385 -3.405 1.00 0.00 H new ATOM 0 HE3 TRP A 22 4.687 2.849 -4.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.269 2.559 -3.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 5.665 0.696 -4.392 1.00 0.00 H new ATOM 0 HH2 TRP A 22 7.915 0.547 -3.455 1.00 0.00 H new ATOM 348 N SER A 23 3.959 5.438 -8.287 1.00 0.00 N ATOM 349 CA SER A 23 2.862 4.952 -9.110 1.00 0.00 C ATOM 350 C SER A 23 2.329 3.663 -8.509 1.00 0.00 C ATOM 351 O SER A 23 2.971 3.074 -7.634 1.00 0.00 O ATOM 352 CB SER A 23 3.360 4.686 -10.529 1.00 0.00 C ATOM 353 OG SER A 23 4.374 3.694 -10.525 1.00 0.00 O ATOM 0 H SER A 23 4.859 5.003 -8.491 1.00 0.00 H new ATOM 0 HA SER A 23 2.070 5.700 -9.145 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.530 4.362 -11.157 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.747 5.608 -10.963 1.00 0.00 H new ATOM 0 HG SER A 23 4.790 3.648 -11.411 1.00 0.00 H new ATOM 359 N PHE A 24 1.180 3.192 -8.982 1.00 0.00 N ATOM 360 CA PHE A 24 0.659 1.931 -8.487 1.00 0.00 C ATOM 361 C PHE A 24 1.216 0.794 -9.342 1.00 0.00 C ATOM 362 O PHE A 24 0.841 -0.372 -9.208 1.00 0.00 O ATOM 363 CB PHE A 24 -0.863 1.998 -8.599 1.00 0.00 C ATOM 364 CG PHE A 24 -1.623 0.938 -7.860 1.00 0.00 C ATOM 365 CD1 PHE A 24 -1.878 1.070 -6.508 1.00 0.00 C ATOM 366 CD2 PHE A 24 -2.109 -0.175 -8.526 1.00 0.00 C ATOM 367 CE1 PHE A 24 -2.597 0.110 -5.830 1.00 0.00 C ATOM 368 CE2 PHE A 24 -2.838 -1.134 -7.854 1.00 0.00 C ATOM 369 CZ PHE A 24 -3.080 -0.991 -6.505 1.00 0.00 C ATOM 0 H PHE A 24 0.607 3.653 -9.689 1.00 0.00 H new ATOM 0 HA PHE A 24 0.949 1.752 -7.452 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.192 2.972 -8.237 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.133 1.942 -9.654 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.510 1.935 -5.977 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.915 -0.293 -9.582 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.782 0.220 -4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.218 -1.995 -8.384 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.648 -1.742 -5.976 1.00 0.00 H new ATOM 379 N SER A 25 2.251 1.140 -10.079 1.00 0.00 N ATOM 380 CA SER A 25 3.050 0.179 -10.805 1.00 0.00 C ATOM 381 C SER A 25 4.221 -0.191 -9.928 1.00 0.00 C ATOM 382 O SER A 25 4.587 -1.355 -9.790 1.00 0.00 O ATOM 383 CB SER A 25 3.527 0.784 -12.125 1.00 0.00 C ATOM 384 OG SER A 25 2.444 1.371 -12.831 1.00 0.00 O ATOM 0 H SER A 25 2.563 2.105 -10.191 1.00 0.00 H new ATOM 0 HA SER A 25 2.467 -0.710 -11.045 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.291 1.537 -11.930 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.990 0.011 -12.738 1.00 0.00 H new ATOM 0 HG SER A 25 2.771 1.754 -13.672 1.00 0.00 H new ATOM 390 N ARG A 26 4.776 0.848 -9.318 1.00 0.00 N ATOM 391 CA ARG A 26 5.836 0.723 -8.339 1.00 0.00 C ATOM 392 C ARG A 26 5.342 -0.101 -7.161 1.00 0.00 C ATOM 393 O ARG A 26 6.075 -0.900 -6.595 1.00 0.00 O ATOM 394 CB ARG A 26 6.243 2.119 -7.872 1.00 0.00 C ATOM 395 CG ARG A 26 7.642 2.227 -7.341 1.00 0.00 C ATOM 396 CD ARG A 26 8.004 3.691 -7.207 1.00 0.00 C ATOM 397 NE ARG A 26 9.438 3.917 -7.284 1.00 0.00 N ATOM 398 CZ ARG A 26 9.993 5.113 -7.477 1.00 0.00 C ATOM 399 NH1 ARG A 26 9.227 6.189 -7.604 1.00 0.00 N ATOM 400 NH2 ARG A 26 11.312 5.233 -7.534 1.00 0.00 N ATOM 0 H ARG A 26 4.495 1.813 -9.495 1.00 0.00 H new ATOM 0 HA ARG A 26 6.698 0.223 -8.781 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.133 2.811 -8.707 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.550 2.443 -7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.718 1.730 -6.374 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.340 1.726 -8.012 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.507 4.259 -7.993 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.630 4.069 -6.256 1.00 0.00 H new ATOM 0 HE ARG A 26 10.056 3.112 -7.184 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.212 6.101 -7.554 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.653 7.104 -7.752 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.904 4.409 -7.430 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.735 6.149 -7.682 1.00 0.00 H new ATOM 414 N ILE A 27 4.083 0.108 -6.801 1.00 0.00 N ATOM 415 CA ILE A 27 3.435 -0.676 -5.759 1.00 0.00 C ATOM 416 C ILE A 27 3.393 -2.152 -6.144 1.00 0.00 C ATOM 417 O ILE A 27 3.932 -2.990 -5.435 1.00 0.00 O ATOM 418 CB ILE A 27 2.007 -0.159 -5.486 1.00 0.00 C ATOM 419 CG1 ILE A 27 2.078 1.222 -4.832 1.00 0.00 C ATOM 420 CG2 ILE A 27 1.220 -1.135 -4.615 1.00 0.00 C ATOM 421 CD1 ILE A 27 0.727 1.801 -4.496 1.00 0.00 C ATOM 0 H ILE A 27 3.486 0.821 -7.220 1.00 0.00 H new ATOM 0 HA ILE A 27 4.021 -0.568 -4.846 1.00 0.00 H new ATOM 0 HB ILE A 27 1.479 -0.076 -6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.671 1.153 -3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.601 1.905 -5.501 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.218 -0.741 -4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.149 -2.098 -5.121 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.730 -1.263 -3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.855 2.781 -4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.138 1.903 -5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.210 1.139 -3.802 1.00 0.00 H new ATOM 433 N ILE A 28 2.778 -2.478 -7.278 1.00 0.00 N ATOM 434 CA ILE A 28 2.704 -3.879 -7.698 1.00 0.00 C ATOM 435 C ILE A 28 4.103 -4.484 -7.894 1.00 0.00 C ATOM 436 O ILE A 28 4.329 -5.655 -7.590 1.00 0.00 O ATOM 437 CB ILE A 28 1.879 -4.040 -8.996 1.00 0.00 C ATOM 438 CG1 ILE A 28 0.464 -3.491 -8.791 1.00 0.00 C ATOM 439 CG2 ILE A 28 1.823 -5.505 -9.419 1.00 0.00 C ATOM 440 CD1 ILE A 28 -0.391 -3.520 -10.040 1.00 0.00 C ATOM 0 H ILE A 28 2.333 -1.812 -7.910 1.00 0.00 H new ATOM 0 HA ILE A 28 2.200 -4.420 -6.897 1.00 0.00 H new ATOM 0 HB ILE A 28 2.366 -3.473 -9.789 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.030 -4.069 -8.010 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.532 -2.464 -8.432 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.238 -5.597 -10.334 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.834 -5.871 -9.596 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.357 -6.094 -8.629 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.378 -3.116 -9.815 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.079 -2.918 -10.817 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.491 -4.548 -10.389 1.00 0.00 H new ATOM 452 N SER A 29 5.047 -3.677 -8.367 1.00 0.00 N ATOM 453 CA SER A 29 6.380 -4.171 -8.693 1.00 0.00 C ATOM 454 C SER A 29 7.255 -4.338 -7.445 1.00 0.00 C ATOM 455 O SER A 29 8.000 -5.314 -7.330 1.00 0.00 O ATOM 456 CB SER A 29 7.064 -3.205 -9.670 1.00 0.00 C ATOM 457 OG SER A 29 8.281 -3.740 -10.167 1.00 0.00 O ATOM 0 H SER A 29 4.914 -2.679 -8.533 1.00 0.00 H new ATOM 0 HA SER A 29 6.263 -5.153 -9.151 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.393 -2.992 -10.502 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.260 -2.257 -9.168 1.00 0.00 H new ATOM 0 HG SER A 29 8.690 -3.101 -10.787 1.00 0.00 H new ATOM 463 N GLU A 30 7.146 -3.412 -6.502 1.00 0.00 N ATOM 464 CA GLU A 30 8.034 -3.404 -5.344 1.00 0.00 C ATOM 465 C GLU A 30 7.337 -3.921 -4.089 1.00 0.00 C ATOM 466 O GLU A 30 7.943 -4.601 -3.272 1.00 0.00 O ATOM 467 CB GLU A 30 8.560 -1.984 -5.096 1.00 0.00 C ATOM 468 CG GLU A 30 9.525 -1.488 -6.158 1.00 0.00 C ATOM 469 CD GLU A 30 10.847 -2.220 -6.130 1.00 0.00 C ATOM 470 OE1 GLU A 30 11.689 -1.887 -5.272 1.00 0.00 O ATOM 471 OE2 GLU A 30 11.053 -3.123 -6.963 1.00 0.00 O ATOM 0 H GLU A 30 6.457 -2.660 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 30 8.866 -4.073 -5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.714 -1.299 -5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.057 -1.956 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.069 -1.606 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.701 -0.422 -6.014 1.00 0.00 H new ATOM 478 N LEU A 31 6.053 -3.641 -3.958 1.00 0.00 N ATOM 479 CA LEU A 31 5.312 -4.015 -2.753 1.00 0.00 C ATOM 480 C LEU A 31 4.793 -5.431 -2.891 1.00 0.00 C ATOM 481 O LEU A 31 4.389 -6.063 -1.918 1.00 0.00 O ATOM 482 CB LEU A 31 4.151 -3.043 -2.493 1.00 0.00 C ATOM 483 CG LEU A 31 4.543 -1.662 -1.948 1.00 0.00 C ATOM 484 CD1 LEU A 31 5.661 -1.050 -2.746 1.00 0.00 C ATOM 485 CD2 LEU A 31 3.342 -0.736 -1.917 1.00 0.00 C ATOM 0 H LEU A 31 5.498 -3.158 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 31 5.989 -3.962 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.604 -2.903 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.463 -3.509 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 31 4.901 -1.801 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.912 -0.074 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.536 -1.698 -2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.347 -0.934 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.642 0.237 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.948 -0.617 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.571 -1.162 -1.275 1.00 0.00 H new ATOM 497 N GLY A 32 4.818 -5.921 -4.117 1.00 0.00 N ATOM 498 CA GLY A 32 4.460 -7.292 -4.370 1.00 0.00 C ATOM 499 C GLY A 32 5.636 -8.223 -4.126 1.00 0.00 C ATOM 500 O GLY A 32 5.496 -9.445 -4.190 1.00 0.00 O ATOM 0 H GLY A 32 5.082 -5.388 -4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.628 -7.578 -3.727 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.118 -7.397 -5.400 1.00 0.00 H new ATOM 504 N THR A 33 6.802 -7.637 -3.842 1.00 0.00 N ATOM 505 CA THR A 33 8.032 -8.405 -3.689 1.00 0.00 C ATOM 506 C THR A 33 8.768 -8.101 -2.378 1.00 0.00 C ATOM 507 O THR A 33 9.207 -9.022 -1.689 1.00 0.00 O ATOM 508 CB THR A 33 8.980 -8.158 -4.872 1.00 0.00 C ATOM 509 OG1 THR A 33 9.133 -6.748 -5.099 1.00 0.00 O ATOM 510 CG2 THR A 33 8.465 -8.825 -6.138 1.00 0.00 C ATOM 0 H THR A 33 6.916 -6.632 -3.714 1.00 0.00 H new ATOM 0 HA THR A 33 7.732 -9.453 -3.665 1.00 0.00 H new ATOM 0 HB THR A 33 9.947 -8.593 -4.621 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.647 -6.493 -5.911 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.157 -8.633 -6.958 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.384 -9.900 -5.976 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.484 -8.421 -6.389 1.00 0.00 H new ATOM 518 N ARG A 34 8.901 -6.815 -2.033 1.00 0.00 N ATOM 519 CA ARG A 34 9.635 -6.406 -0.830 1.00 0.00 C ATOM 520 C ARG A 34 9.124 -7.118 0.419 1.00 0.00 C ATOM 521 O ARG A 34 9.908 -7.601 1.234 1.00 0.00 O ATOM 522 CB ARG A 34 9.565 -4.904 -0.630 1.00 0.00 C ATOM 523 CG ARG A 34 10.417 -4.118 -1.611 1.00 0.00 C ATOM 524 CD ARG A 34 10.389 -2.646 -1.271 1.00 0.00 C ATOM 525 NE ARG A 34 10.957 -1.806 -2.332 1.00 0.00 N ATOM 526 CZ ARG A 34 11.900 -0.889 -2.134 1.00 0.00 C ATOM 527 NH1 ARG A 34 12.345 -0.629 -0.913 1.00 0.00 N ATOM 528 NH2 ARG A 34 12.396 -0.226 -3.168 1.00 0.00 N ATOM 0 H ARG A 34 8.510 -6.040 -2.569 1.00 0.00 H new ATOM 0 HA ARG A 34 10.675 -6.695 -0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.528 -4.582 -0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.882 -4.666 0.385 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.443 -4.484 -1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.049 -4.271 -2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.359 -2.341 -1.084 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.943 -2.481 -0.347 1.00 0.00 H new ATOM 0 HE ARG A 34 10.606 -1.933 -3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.964 -1.134 -0.113 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.068 0.076 -0.773 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.055 -0.420 -4.109 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.119 0.478 -3.023 1.00 0.00 H new ATOM 542 N ASP A 35 7.810 -7.185 0.559 1.00 0.00 N ATOM 543 CA ASP A 35 7.186 -7.880 1.680 1.00 0.00 C ATOM 544 C ASP A 35 5.744 -8.201 1.317 1.00 0.00 C ATOM 545 O ASP A 35 5.005 -7.325 0.873 1.00 0.00 O ATOM 546 CB ASP A 35 7.251 -7.024 2.956 1.00 0.00 C ATOM 547 CG ASP A 35 7.079 -7.842 4.227 1.00 0.00 C ATOM 548 OD1 ASP A 35 7.887 -8.763 4.462 1.00 0.00 O ATOM 549 OD2 ASP A 35 6.148 -7.560 5.008 1.00 0.00 O ATOM 0 H ASP A 35 7.148 -6.764 -0.093 1.00 0.00 H new ATOM 0 HA ASP A 35 7.725 -8.806 1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.209 -6.505 2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.475 -6.259 2.914 1.00 0.00 H new ATOM 554 N PRO A 36 5.329 -9.464 1.494 1.00 0.00 N ATOM 555 CA PRO A 36 4.029 -9.969 1.018 1.00 0.00 C ATOM 556 C PRO A 36 2.810 -9.411 1.761 1.00 0.00 C ATOM 557 O PRO A 36 1.766 -10.061 1.817 1.00 0.00 O ATOM 558 CB PRO A 36 4.122 -11.485 1.244 1.00 0.00 C ATOM 559 CG PRO A 36 5.560 -11.764 1.511 1.00 0.00 C ATOM 560 CD PRO A 36 6.108 -10.523 2.145 1.00 0.00 C ATOM 0 HA PRO A 36 3.869 -9.665 -0.017 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.500 -11.795 2.084 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.772 -12.034 0.369 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.675 -12.623 2.171 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.090 -11.998 0.588 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.968 -10.524 3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.177 -10.412 1.962 1.00 0.00 H new ATOM 568 N ARG A 37 2.921 -8.206 2.309 1.00 0.00 N ATOM 569 CA ARG A 37 1.793 -7.569 2.968 1.00 0.00 C ATOM 570 C ARG A 37 0.699 -7.266 1.957 1.00 0.00 C ATOM 571 O ARG A 37 -0.486 -7.241 2.290 1.00 0.00 O ATOM 572 CB ARG A 37 2.232 -6.290 3.648 1.00 0.00 C ATOM 573 CG ARG A 37 3.378 -6.499 4.605 1.00 0.00 C ATOM 574 CD ARG A 37 3.722 -5.218 5.312 1.00 0.00 C ATOM 575 NE ARG A 37 5.048 -5.272 5.916 1.00 0.00 N ATOM 576 CZ ARG A 37 5.604 -4.271 6.597 1.00 0.00 C ATOM 577 NH1 ARG A 37 4.935 -3.145 6.802 1.00 0.00 N ATOM 578 NH2 ARG A 37 6.831 -4.395 7.083 1.00 0.00 N ATOM 0 H ARG A 37 3.779 -7.654 2.309 1.00 0.00 H new ATOM 0 HA ARG A 37 1.402 -8.252 3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.526 -5.564 2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.387 -5.863 4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.113 -7.263 5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.249 -6.865 4.062 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.678 -4.390 4.605 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.979 -5.018 6.084 1.00 0.00 H new ATOM 0 HE ARG A 37 5.585 -6.133 5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.988 -3.041 6.437 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.367 -2.383 7.324 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.353 -5.259 6.936 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.253 -3.626 7.604 1.00 0.00 H new ATOM 592 N TYR A 38 1.119 -7.056 0.714 1.00 0.00 N ATOM 593 CA TYR A 38 0.202 -6.771 -0.375 1.00 0.00 C ATOM 594 C TYR A 38 -0.630 -8.009 -0.711 1.00 0.00 C ATOM 595 O TYR A 38 -1.711 -7.902 -1.298 1.00 0.00 O ATOM 596 CB TYR A 38 1.004 -6.315 -1.602 1.00 0.00 C ATOM 597 CG TYR A 38 0.161 -5.749 -2.725 1.00 0.00 C ATOM 598 CD1 TYR A 38 -0.204 -4.409 -2.734 1.00 0.00 C ATOM 599 CD2 TYR A 38 -0.263 -6.552 -3.774 1.00 0.00 C ATOM 600 CE1 TYR A 38 -0.972 -3.886 -3.756 1.00 0.00 C ATOM 601 CE2 TYR A 38 -1.031 -6.037 -4.802 1.00 0.00 C ATOM 602 CZ TYR A 38 -1.384 -4.702 -4.789 1.00 0.00 C ATOM 603 OH TYR A 38 -2.155 -4.186 -5.806 1.00 0.00 O ATOM 0 H TYR A 38 2.101 -7.079 0.438 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.481 -5.977 -0.074 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.725 -5.560 -1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.574 -7.162 -1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.118 -3.765 -1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.011 -7.596 -3.788 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.249 -2.842 -3.746 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.353 -6.676 -5.611 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.222 -3.214 -5.705 1.00 0.00 H new ATOM 613 N TRP A 39 -0.129 -9.177 -0.312 1.00 0.00 N ATOM 614 CA TRP A 39 -0.770 -10.442 -0.645 1.00 0.00 C ATOM 615 C TRP A 39 -1.524 -11.018 0.548 1.00 0.00 C ATOM 616 O TRP A 39 -2.505 -11.741 0.370 1.00 0.00 O ATOM 617 CB TRP A 39 0.269 -11.450 -1.136 1.00 0.00 C ATOM 618 CG TRP A 39 1.112 -10.922 -2.251 1.00 0.00 C ATOM 619 CD1 TRP A 39 2.465 -10.790 -2.253 1.00 0.00 C ATOM 620 CD2 TRP A 39 0.657 -10.435 -3.518 1.00 0.00 C ATOM 621 NE1 TRP A 39 2.887 -10.259 -3.445 1.00 0.00 N ATOM 622 CE2 TRP A 39 1.795 -10.033 -4.241 1.00 0.00 C ATOM 623 CE3 TRP A 39 -0.601 -10.305 -4.113 1.00 0.00 C ATOM 624 CZ2 TRP A 39 1.713 -9.510 -5.528 1.00 0.00 C ATOM 625 CZ3 TRP A 39 -0.682 -9.783 -5.389 1.00 0.00 C ATOM 626 CH2 TRP A 39 0.470 -9.391 -6.086 1.00 0.00 C ATOM 0 H TRP A 39 0.721 -9.270 0.244 1.00 0.00 H new ATOM 0 HA TRP A 39 -1.490 -10.247 -1.440 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.913 -11.734 -0.304 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -0.239 -12.355 -1.469 1.00 0.00 H new ATOM 0 HD1 TRP A 39 3.114 -11.064 -1.434 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.856 -10.064 -3.698 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.493 -10.607 -3.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.599 -9.209 -6.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.649 -9.675 -5.858 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.374 -8.987 -7.083 1.00 0.00 H new ATOM 637 N MET A 40 -1.061 -10.706 1.760 1.00 0.00 N ATOM 638 CA MET A 40 -1.725 -11.181 2.978 1.00 0.00 C ATOM 639 C MET A 40 -3.189 -10.767 2.974 1.00 0.00 C ATOM 640 O MET A 40 -4.071 -11.538 3.356 1.00 0.00 O ATOM 641 CB MET A 40 -1.028 -10.648 4.231 1.00 0.00 C ATOM 642 CG MET A 40 0.396 -11.152 4.401 1.00 0.00 C ATOM 643 SD MET A 40 1.088 -10.753 6.018 1.00 0.00 S ATOM 644 CE MET A 40 0.771 -8.994 6.106 1.00 0.00 C ATOM 0 H MET A 40 -0.235 -10.131 1.925 1.00 0.00 H new ATOM 0 HA MET A 40 -1.663 -12.269 2.994 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.016 -9.559 4.193 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.611 -10.930 5.108 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.414 -12.233 4.260 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.026 -10.718 3.624 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.686 -8.473 6.387 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.434 -8.636 5.133 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.000 -8.800 6.851 1.00 0.00 H new ATOM 654 N VAL A 41 -3.437 -9.541 2.548 1.00 0.00 N ATOM 655 CA VAL A 41 -4.788 -9.096 2.280 1.00 0.00 C ATOM 656 C VAL A 41 -5.125 -9.396 0.826 1.00 0.00 C ATOM 657 O VAL A 41 -4.416 -8.955 -0.090 1.00 0.00 O ATOM 658 CB VAL A 41 -4.975 -7.587 2.577 1.00 0.00 C ATOM 659 CG1 VAL A 41 -3.918 -6.745 1.880 1.00 0.00 C ATOM 660 CG2 VAL A 41 -6.370 -7.127 2.184 1.00 0.00 C ATOM 0 H VAL A 41 -2.718 -8.837 2.381 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.466 -9.634 2.943 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.855 -7.448 3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.081 -5.692 2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.928 -7.044 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.986 -6.895 0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.478 -6.064 2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.522 -7.296 1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.112 -7.690 2.750 1.00 0.00 H new ATOM 670 N ASP A 42 -6.194 -10.153 0.614 1.00 0.00 N ATOM 671 CA ASP A 42 -6.581 -10.577 -0.704 1.00 0.00 C ATOM 672 C ASP A 42 -6.832 -9.386 -1.594 1.00 0.00 C ATOM 673 O ASP A 42 -7.329 -8.345 -1.158 1.00 0.00 O ATOM 674 CB ASP A 42 -7.804 -11.478 -0.640 1.00 0.00 C ATOM 675 CG ASP A 42 -8.898 -10.970 0.277 1.00 0.00 C ATOM 676 OD1 ASP A 42 -8.644 -10.787 1.490 1.00 0.00 O ATOM 677 OD2 ASP A 42 -10.036 -10.779 -0.204 1.00 0.00 O ATOM 0 H ASP A 42 -6.809 -10.484 1.357 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.761 -11.152 -1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.211 -11.593 -1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.495 -12.469 -0.306 1.00 0.00 H new ATOM 682 N ASP A 43 -6.464 -9.548 -2.841 1.00 0.00 N ATOM 683 CA ASP A 43 -6.305 -8.435 -3.735 1.00 0.00 C ATOM 684 C ASP A 43 -7.618 -7.855 -4.221 1.00 0.00 C ATOM 685 O ASP A 43 -8.265 -8.370 -5.130 1.00 0.00 O ATOM 686 CB ASP A 43 -5.404 -8.829 -4.909 1.00 0.00 C ATOM 687 CG ASP A 43 -5.947 -9.979 -5.735 1.00 0.00 C ATOM 688 OD1 ASP A 43 -5.977 -11.119 -5.226 1.00 0.00 O ATOM 689 OD2 ASP A 43 -6.337 -9.748 -6.900 1.00 0.00 O ATOM 0 H ASP A 43 -6.267 -10.456 -3.262 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.828 -7.638 -3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.265 -7.963 -5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.421 -9.101 -4.525 1.00 0.00 H new ATOM 694 N ASP A 44 -8.016 -6.785 -3.564 1.00 0.00 N ATOM 695 CA ASP A 44 -8.945 -5.849 -4.149 1.00 0.00 C ATOM 696 C ASP A 44 -8.152 -4.624 -4.527 1.00 0.00 C ATOM 697 O ASP A 44 -7.885 -3.765 -3.687 1.00 0.00 O ATOM 698 CB ASP A 44 -10.044 -5.463 -3.170 1.00 0.00 C ATOM 699 CG ASP A 44 -11.157 -4.679 -3.843 1.00 0.00 C ATOM 700 OD1 ASP A 44 -12.047 -5.304 -4.458 1.00 0.00 O ATOM 701 OD2 ASP A 44 -11.145 -3.433 -3.769 1.00 0.00 O ATOM 0 H ASP A 44 -7.708 -6.544 -2.622 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.430 -6.301 -5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.458 -6.364 -2.717 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.618 -4.867 -2.363 1.00 0.00 H new ATOM 706 N PRO A 45 -7.731 -4.541 -5.786 1.00 0.00 N ATOM 707 CA PRO A 45 -6.845 -3.485 -6.231 1.00 0.00 C ATOM 708 C PRO A 45 -7.479 -2.117 -6.093 1.00 0.00 C ATOM 709 O PRO A 45 -6.807 -1.176 -5.715 1.00 0.00 O ATOM 710 CB PRO A 45 -6.573 -3.822 -7.695 1.00 0.00 C ATOM 711 CG PRO A 45 -6.955 -5.249 -7.845 1.00 0.00 C ATOM 712 CD PRO A 45 -8.065 -5.472 -6.871 1.00 0.00 C ATOM 0 HA PRO A 45 -5.935 -3.436 -5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.157 -3.186 -8.360 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.524 -3.667 -7.946 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.278 -5.463 -8.864 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.111 -5.905 -7.634 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.039 -5.252 -7.309 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.098 -6.505 -6.523 1.00 0.00 H new ATOM 720 N LEU A 46 -8.778 -2.012 -6.354 1.00 0.00 N ATOM 721 CA LEU A 46 -9.459 -0.727 -6.247 1.00 0.00 C ATOM 722 C LEU A 46 -9.378 -0.204 -4.814 1.00 0.00 C ATOM 723 O LEU A 46 -9.150 0.981 -4.602 1.00 0.00 O ATOM 724 CB LEU A 46 -10.919 -0.866 -6.690 1.00 0.00 C ATOM 725 CG LEU A 46 -11.498 0.313 -7.487 1.00 0.00 C ATOM 726 CD1 LEU A 46 -11.584 1.569 -6.634 1.00 0.00 C ATOM 727 CD2 LEU A 46 -10.665 0.574 -8.732 1.00 0.00 C ATOM 0 H LEU A 46 -9.374 -2.790 -6.637 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.966 -0.010 -6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.009 -1.767 -7.296 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.534 -1.016 -5.803 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.510 0.045 -7.791 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.998 2.384 -7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.229 1.382 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.587 1.842 -6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.089 1.412 -9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.642 0.812 -8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.666 -0.315 -9.363 1.00 0.00 H new ATOM 739 N TRP A 47 -9.501 -1.094 -3.831 1.00 0.00 N ATOM 740 CA TRP A 47 -9.304 -0.709 -2.438 1.00 0.00 C ATOM 741 C TRP A 47 -7.838 -0.389 -2.188 1.00 0.00 C ATOM 742 O TRP A 47 -7.513 0.548 -1.470 1.00 0.00 O ATOM 743 CB TRP A 47 -9.773 -1.812 -1.483 1.00 0.00 C ATOM 744 CG TRP A 47 -9.340 -1.579 -0.063 1.00 0.00 C ATOM 745 CD1 TRP A 47 -9.830 -0.647 0.804 1.00 0.00 C ATOM 746 CD2 TRP A 47 -8.310 -2.276 0.643 1.00 0.00 C ATOM 747 NE1 TRP A 47 -9.185 -0.741 2.012 1.00 0.00 N ATOM 748 CE2 TRP A 47 -8.243 -1.730 1.937 1.00 0.00 C ATOM 749 CE3 TRP A 47 -7.444 -3.312 0.303 1.00 0.00 C ATOM 750 CZ2 TRP A 47 -7.339 -2.189 2.894 1.00 0.00 C ATOM 751 CZ3 TRP A 47 -6.545 -3.768 1.251 1.00 0.00 C ATOM 752 CH2 TRP A 47 -6.498 -3.206 2.533 1.00 0.00 C ATOM 0 H TRP A 47 -9.734 -2.077 -3.972 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.905 0.180 -2.245 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.860 -1.879 -1.520 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.383 -2.771 -1.824 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -10.612 0.062 0.574 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -9.377 -0.166 2.833 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.473 -3.752 -0.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.304 -1.758 3.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.868 -4.571 0.998 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.784 -3.583 3.250 1.00 0.00 H new ATOM 763 N LYS A 48 -6.964 -1.166 -2.810 1.00 0.00 N ATOM 764 CA LYS A 48 -5.528 -0.951 -2.701 1.00 0.00 C ATOM 765 C LYS A 48 -5.155 0.434 -3.234 1.00 0.00 C ATOM 766 O LYS A 48 -4.249 1.092 -2.722 1.00 0.00 O ATOM 767 CB LYS A 48 -4.791 -2.043 -3.483 1.00 0.00 C ATOM 768 CG LYS A 48 -4.983 -3.443 -2.913 1.00 0.00 C ATOM 769 CD LYS A 48 -3.963 -3.734 -1.833 1.00 0.00 C ATOM 770 CE LYS A 48 -4.247 -5.033 -1.085 1.00 0.00 C ATOM 771 NZ LYS A 48 -4.046 -6.245 -1.930 1.00 0.00 N ATOM 0 H LYS A 48 -7.226 -1.956 -3.399 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.234 -1.001 -1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.135 -2.031 -4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.726 -1.810 -3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.989 -3.538 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.893 -4.180 -3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.971 -3.788 -2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.947 -2.907 -1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.597 -5.093 -0.212 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.273 -5.018 -0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.664 -7.010 -1.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.281 -6.022 -2.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.053 -6.549 -1.870 1.00 0.00 H new ATOM 785 N LYS A 49 -5.888 0.886 -4.245 1.00 0.00 N ATOM 786 CA LYS A 49 -5.658 2.189 -4.838 1.00 0.00 C ATOM 787 C LYS A 49 -6.347 3.273 -4.014 1.00 0.00 C ATOM 788 O LYS A 49 -5.795 4.356 -3.811 1.00 0.00 O ATOM 789 CB LYS A 49 -6.159 2.194 -6.286 1.00 0.00 C ATOM 790 CG LYS A 49 -5.709 0.988 -7.079 1.00 0.00 C ATOM 791 CD LYS A 49 -6.115 1.085 -8.528 1.00 0.00 C ATOM 792 CE LYS A 49 -5.454 2.282 -9.146 1.00 0.00 C ATOM 793 NZ LYS A 49 -5.312 2.155 -10.617 1.00 0.00 N ATOM 0 H LYS A 49 -6.652 0.361 -4.671 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.589 2.400 -4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.248 2.234 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.807 3.098 -6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.625 0.893 -7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.136 0.086 -6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.825 0.179 -9.061 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.199 1.170 -8.610 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.037 3.174 -8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.469 2.420 -8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.850 3.006 -10.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.734 1.320 -10.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.252 2.050 -11.049 1.00 0.00 H new ATOM 807 N GLU A 50 -7.537 2.958 -3.516 1.00 0.00 N ATOM 808 CA GLU A 50 -8.285 3.865 -2.651 1.00 0.00 C ATOM 809 C GLU A 50 -7.521 4.158 -1.364 1.00 0.00 C ATOM 810 O GLU A 50 -7.515 5.287 -0.865 1.00 0.00 O ATOM 811 CB GLU A 50 -9.645 3.266 -2.301 1.00 0.00 C ATOM 812 CG GLU A 50 -10.651 3.303 -3.436 1.00 0.00 C ATOM 813 CD GLU A 50 -12.025 2.833 -3.007 1.00 0.00 C ATOM 814 OE1 GLU A 50 -12.240 1.607 -2.907 1.00 0.00 O ATOM 815 OE2 GLU A 50 -12.900 3.697 -2.766 1.00 0.00 O ATOM 0 H GLU A 50 -8.009 2.072 -3.698 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.424 4.798 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.504 2.231 -1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.057 3.803 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.722 4.320 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.295 2.676 -4.254 1.00 0.00 H new ATOM 822 N MET A 51 -6.871 3.138 -0.827 1.00 0.00 N ATOM 823 CA MET A 51 -6.139 3.283 0.410 1.00 0.00 C ATOM 824 C MET A 51 -4.799 3.957 0.140 1.00 0.00 C ATOM 825 O MET A 51 -4.236 4.625 1.005 1.00 0.00 O ATOM 826 CB MET A 51 -5.934 1.918 1.072 1.00 0.00 C ATOM 827 CG MET A 51 -5.020 0.994 0.288 1.00 0.00 C ATOM 828 SD MET A 51 -4.784 -0.599 1.091 1.00 0.00 S ATOM 829 CE MET A 51 -4.370 -0.071 2.750 1.00 0.00 C ATOM 0 H MET A 51 -6.838 2.203 -1.232 1.00 0.00 H new ATOM 0 HA MET A 51 -6.715 3.908 1.093 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.519 2.066 2.069 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.903 1.435 1.198 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.437 0.836 -0.707 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.051 1.476 0.155 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.988 -0.920 3.317 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.608 0.708 2.705 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.261 0.321 3.240 1.00 0.00 H new ATOM 839 N PHE A 52 -4.294 3.785 -1.081 1.00 0.00 N ATOM 840 CA PHE A 52 -3.039 4.404 -1.479 1.00 0.00 C ATOM 841 C PHE A 52 -3.198 5.911 -1.648 1.00 0.00 C ATOM 842 O PHE A 52 -2.332 6.685 -1.240 1.00 0.00 O ATOM 843 CB PHE A 52 -2.538 3.782 -2.782 1.00 0.00 C ATOM 844 CG PHE A 52 -1.309 4.443 -3.341 1.00 0.00 C ATOM 845 CD1 PHE A 52 -0.154 4.558 -2.580 1.00 0.00 C ATOM 846 CD2 PHE A 52 -1.310 4.954 -4.629 1.00 0.00 C ATOM 847 CE1 PHE A 52 0.973 5.167 -3.096 1.00 0.00 C ATOM 848 CE2 PHE A 52 -0.185 5.565 -5.149 1.00 0.00 C ATOM 849 CZ PHE A 52 0.958 5.671 -4.382 1.00 0.00 C ATOM 0 H PHE A 52 -4.737 3.222 -1.808 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.308 4.226 -0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.325 2.727 -2.611 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.334 3.830 -3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.136 4.167 -1.573 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.201 4.874 -5.234 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.866 5.249 -2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.200 5.959 -6.154 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.839 6.147 -4.787 1.00 0.00 H new ATOM 859 N GLU A 53 -4.325 6.337 -2.206 1.00 0.00 N ATOM 860 CA GLU A 53 -4.587 7.761 -2.352 1.00 0.00 C ATOM 861 C GLU A 53 -4.946 8.350 -1.001 1.00 0.00 C ATOM 862 O GLU A 53 -4.789 9.545 -0.758 1.00 0.00 O ATOM 863 CB GLU A 53 -5.685 8.029 -3.367 1.00 0.00 C ATOM 864 CG GLU A 53 -7.023 7.513 -2.952 1.00 0.00 C ATOM 865 CD GLU A 53 -8.085 7.775 -3.991 1.00 0.00 C ATOM 866 OE1 GLU A 53 -8.672 8.876 -3.976 1.00 0.00 O ATOM 867 OE2 GLU A 53 -8.320 6.902 -4.846 1.00 0.00 O ATOM 0 H GLU A 53 -5.061 5.726 -2.560 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.683 8.241 -2.726 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.756 9.103 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.408 7.573 -4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.955 6.441 -2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.315 7.981 -2.012 1.00 0.00 H new ATOM 874 N LYS A 54 -5.396 7.478 -0.113 1.00 0.00 N ATOM 875 CA LYS A 54 -5.634 7.856 1.266 1.00 0.00 C ATOM 876 C LYS A 54 -4.311 8.081 1.963 1.00 0.00 C ATOM 877 O LYS A 54 -4.172 8.983 2.771 1.00 0.00 O ATOM 878 CB LYS A 54 -6.401 6.771 2.005 1.00 0.00 C ATOM 879 CG LYS A 54 -6.603 7.082 3.466 1.00 0.00 C ATOM 880 CD LYS A 54 -7.836 7.939 3.662 1.00 0.00 C ATOM 881 CE LYS A 54 -8.174 8.092 5.131 1.00 0.00 C ATOM 882 NZ LYS A 54 -8.458 6.779 5.769 1.00 0.00 N ATOM 0 H LYS A 54 -5.603 6.502 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.226 8.771 1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.373 6.634 1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.865 5.827 1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.704 6.155 4.030 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.727 7.600 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.672 8.922 3.220 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.680 7.491 3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.345 8.576 5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.041 8.744 5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.015 6.927 6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.996 6.182 5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.562 6.309 6.010 1.00 0.00 H new ATOM 896 N TYR A 55 -3.336 7.264 1.629 1.00 0.00 N ATOM 897 CA TYR A 55 -2.009 7.405 2.202 1.00 0.00 C ATOM 898 C TYR A 55 -1.345 8.683 1.709 1.00 0.00 C ATOM 899 O TYR A 55 -0.475 9.239 2.367 1.00 0.00 O ATOM 900 CB TYR A 55 -1.152 6.193 1.846 1.00 0.00 C ATOM 901 CG TYR A 55 0.298 6.318 2.258 1.00 0.00 C ATOM 902 CD1 TYR A 55 0.678 6.268 3.594 1.00 0.00 C ATOM 903 CD2 TYR A 55 1.291 6.485 1.302 1.00 0.00 C ATOM 904 CE1 TYR A 55 2.007 6.380 3.963 1.00 0.00 C ATOM 905 CE2 TYR A 55 2.617 6.598 1.661 1.00 0.00 C ATOM 906 CZ TYR A 55 2.972 6.546 2.991 1.00 0.00 C ATOM 907 OH TYR A 55 4.296 6.648 3.348 1.00 0.00 O ATOM 0 H TYR A 55 -3.433 6.496 0.965 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.105 7.464 3.286 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.578 5.309 2.320 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.200 6.032 0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.076 6.140 4.356 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.019 6.527 0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.287 6.338 5.005 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.375 6.727 0.902 1.00 0.00 H new ATOM 0 HH TYR A 55 4.831 6.878 2.559 1.00 0.00 H new ATOM 917 N LEU A 56 -1.751 9.144 0.545 1.00 0.00 N ATOM 918 CA LEU A 56 -1.204 10.367 0.004 1.00 0.00 C ATOM 919 C LEU A 56 -1.962 11.589 0.518 1.00 0.00 C ATOM 920 O LEU A 56 -1.380 12.659 0.696 1.00 0.00 O ATOM 921 CB LEU A 56 -1.242 10.324 -1.523 1.00 0.00 C ATOM 922 CG LEU A 56 -0.580 9.101 -2.160 1.00 0.00 C ATOM 923 CD1 LEU A 56 -0.643 9.192 -3.675 1.00 0.00 C ATOM 924 CD2 LEU A 56 0.862 8.964 -1.694 1.00 0.00 C ATOM 0 H LEU A 56 -2.454 8.693 -0.041 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.169 10.453 0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.283 10.362 -1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.756 11.221 -1.907 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.127 8.213 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.168 8.314 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.684 9.237 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.122 10.090 -4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.313 8.088 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.422 9.855 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.885 8.851 -0.610 1.00 0.00 H new ATOM 936 N SER A 57 -3.254 11.430 0.756 1.00 0.00 N ATOM 937 CA SER A 57 -4.084 12.539 1.205 1.00 0.00 C ATOM 938 C SER A 57 -4.103 12.625 2.732 1.00 0.00 C ATOM 939 O SER A 57 -3.882 13.691 3.314 1.00 0.00 O ATOM 940 CB SER A 57 -5.496 12.375 0.655 1.00 0.00 C ATOM 941 OG SER A 57 -6.302 13.506 0.935 1.00 0.00 O ATOM 0 H SER A 57 -3.751 10.546 0.646 1.00 0.00 H new ATOM 0 HA SER A 57 -3.661 13.470 0.828 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.451 12.218 -0.423 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.954 11.486 1.088 1.00 0.00 H new ATOM 0 HG SER A 57 -7.200 13.367 0.567 1.00 0.00 H new ATOM 947 N ASN A 58 -4.356 11.495 3.366 1.00 0.00 N ATOM 948 CA ASN A 58 -4.408 11.407 4.818 1.00 0.00 C ATOM 949 C ASN A 58 -3.017 11.171 5.366 1.00 0.00 C ATOM 950 O ASN A 58 -2.526 11.941 6.191 1.00 0.00 O ATOM 951 CB ASN A 58 -5.315 10.252 5.241 1.00 0.00 C ATOM 952 CG ASN A 58 -5.604 10.223 6.733 1.00 0.00 C ATOM 953 OD1 ASN A 58 -5.727 9.153 7.325 1.00 0.00 O ATOM 954 ND2 ASN A 58 -5.752 11.387 7.341 1.00 0.00 N ATOM 0 H ASN A 58 -4.532 10.610 2.890 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.805 12.342 5.212 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.257 10.323 4.698 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.850 9.310 4.951 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.976 11.418 8.336 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.642 12.254 6.816 1.00 0.00 H new ATOM 961 N ARG A 59 -2.395 10.097 4.882 1.00 0.00 N ATOM 962 CA ARG A 59 -1.051 9.709 5.305 1.00 0.00 C ATOM 963 C ARG A 59 -1.016 9.449 6.809 1.00 0.00 C ATOM 964 O ARG A 59 -0.488 10.297 7.555 1.00 0.00 O ATOM 965 CB ARG A 59 -0.025 10.785 4.920 1.00 0.00 C ATOM 966 CG ARG A 59 1.415 10.298 4.947 1.00 0.00 C ATOM 967 CD ARG A 59 2.372 11.370 4.448 1.00 0.00 C ATOM 968 NE ARG A 59 3.737 10.864 4.279 1.00 0.00 N ATOM 969 CZ ARG A 59 4.758 11.604 3.841 1.00 0.00 C ATOM 970 NH1 ARG A 59 4.579 12.889 3.564 1.00 0.00 N ATOM 971 NH2 ARG A 59 5.961 11.058 3.693 1.00 0.00 N ATOM 972 OXT ARG A 59 -1.546 8.405 7.240 1.00 0.00 O ATOM 0 H ARG A 59 -2.807 9.473 4.188 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.786 8.786 4.789 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.256 11.152 3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.126 11.630 5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.685 10.011 5.963 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.511 9.406 4.328 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.012 11.761 3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.380 12.202 5.152 1.00 0.00 H new ATOM 0 HE ARG A 59 3.918 9.887 4.510 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.660 13.314 3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.361 13.452 3.229 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.105 10.073 3.914 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.740 11.624 3.358 1.00 0.00 H new