USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -53:sc= 0.839 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.26 K(o=2.1,f=-4.1!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 174:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 121:sc= 1.08 USER MOD Single : A 1 MET CE :methyl -154:sc= 0 (180deg=-0.614) USER MOD Single : A 1 MET N :NH3+ 165:sc= 2.35 (180deg=2.15) USER MOD Single : A 2 GLN : amide:sc= 0.173 X(o=0.17,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.52 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= 1.29 (180deg=1.01) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 1.44 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 135:sc= -0.102 (180deg=-0.502) USER MOD Single : A 31 GLN : amide:sc= -0.0569 X(o=-0.057,f=-0.097) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.17) USER MOD Single : A 41 GLN : amide:sc= -0.799 K(o=-0.8,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -70:sc= 0.432 USER MOD Single : A 57 SER OG : rot 63:sc= 1.1 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.692 USER MOD Single : A 60 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.22) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000521) USER MOD Single : A 65 SER OG : rot 81:sc= 0.74 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.48 X(o=-1.5,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.785 43.939 -12.371 1.00 0.00 N ATOM 2 CA MET A 1 -5.261 44.761 -11.211 1.00 0.00 C ATOM 3 C MET A 1 -4.124 45.051 -10.258 1.00 0.00 C ATOM 4 O MET A 1 -3.123 44.314 -10.186 1.00 0.00 O ATOM 5 CB MET A 1 -6.534 44.067 -10.540 1.00 0.00 C ATOM 6 CG MET A 1 -6.331 43.240 -9.258 1.00 0.00 C ATOM 7 SD MET A 1 -5.546 41.627 -9.532 1.00 0.00 S ATOM 8 CE MET A 1 -5.991 40.870 -7.928 1.00 0.00 C ATOM 0 H1 MET A 1 -5.604 43.539 -12.872 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.240 44.540 -13.022 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.180 43.167 -12.025 1.00 0.00 H new ATOM 0 HA MET A 1 -5.599 45.739 -11.553 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.259 44.850 -10.318 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.988 43.415 -11.286 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.721 43.815 -8.561 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.299 43.085 -8.782 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.264 40.097 -7.676 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.991 41.635 -7.152 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.984 40.425 -7.998 1.00 0.00 H new ATOM 18 N GLN A 2 -4.241 46.131 -9.463 1.00 0.00 N ATOM 19 CA GLN A 2 -3.257 46.369 -8.399 1.00 0.00 C ATOM 20 C GLN A 2 -3.557 45.742 -6.998 1.00 0.00 C ATOM 21 O GLN A 2 -4.682 45.571 -6.547 1.00 0.00 O ATOM 22 CB GLN A 2 -3.045 47.865 -8.193 1.00 0.00 C ATOM 23 CG GLN A 2 -4.347 48.564 -7.624 1.00 0.00 C ATOM 24 CD GLN A 2 -4.008 50.042 -7.600 1.00 0.00 C ATOM 25 OE1 GLN A 2 -4.419 50.852 -8.486 1.00 0.00 O ATOM 26 NE2 GLN A 2 -3.426 50.546 -6.546 1.00 0.00 N ATOM 0 H GLN A 2 -4.981 46.829 -9.534 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.371 45.857 -8.775 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.215 48.024 -7.505 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.767 48.328 -9.140 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.212 48.366 -8.257 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.591 48.197 -6.627 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -3.081 49.930 -5.810 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -3.316 51.556 -6.458 1.00 0.00 H new ATOM 35 N ILE A 3 -2.455 45.433 -6.318 1.00 0.00 N ATOM 36 CA ILE A 3 -2.476 44.828 -4.970 1.00 0.00 C ATOM 37 C ILE A 3 -1.362 45.460 -4.195 1.00 0.00 C ATOM 38 O ILE A 3 -0.447 46.036 -4.758 1.00 0.00 O ATOM 39 CB ILE A 3 -2.567 43.279 -4.880 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.380 42.449 -5.466 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.888 42.786 -5.588 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.123 42.390 -4.507 1.00 0.00 C ATOM 0 H ILE A 3 -1.515 45.592 -6.680 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.437 45.055 -4.508 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.544 43.093 -3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.721 41.434 -5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.080 42.881 -6.421 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.951 41.700 -5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.753 43.229 -5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.874 43.088 -6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.664 41.799 -4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.243 43.400 -4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.409 41.930 -3.561 1.00 0.00 H new ATOM 54 N PHE A 4 -1.475 45.504 -2.860 1.00 0.00 N ATOM 55 CA PHE A 4 -0.519 46.156 -2.022 1.00 0.00 C ATOM 56 C PHE A 4 0.279 45.139 -1.171 1.00 0.00 C ATOM 57 O PHE A 4 -0.278 44.171 -0.659 1.00 0.00 O ATOM 58 CB PHE A 4 -1.307 47.151 -1.049 1.00 0.00 C ATOM 59 CG PHE A 4 -1.971 48.330 -1.761 1.00 0.00 C ATOM 60 CD1 PHE A 4 -3.370 48.539 -1.933 1.00 0.00 C ATOM 61 CD2 PHE A 4 -1.128 49.213 -2.449 1.00 0.00 C ATOM 62 CE1 PHE A 4 -3.843 49.608 -2.680 1.00 0.00 C ATOM 63 CE2 PHE A 4 -1.655 50.305 -3.194 1.00 0.00 C ATOM 64 CZ PHE A 4 -3.012 50.454 -3.359 1.00 0.00 C ATOM 0 H PHE A 4 -2.248 45.077 -2.349 1.00 0.00 H new ATOM 0 HA PHE A 4 0.190 46.695 -2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.071 46.588 -0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.613 47.536 -0.302 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.071 47.856 -1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.059 49.062 -2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.909 49.778 -2.727 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.981 51.025 -3.635 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.411 51.220 -4.008 1.00 0.00 H new ATOM 74 N VAL A 5 1.607 45.315 -1.057 1.00 0.00 N ATOM 75 CA VAL A 5 2.443 44.482 -0.163 1.00 0.00 C ATOM 76 C VAL A 5 3.057 45.494 0.746 1.00 0.00 C ATOM 77 O VAL A 5 3.623 46.483 0.320 1.00 0.00 O ATOM 78 CB VAL A 5 3.528 43.652 -0.887 1.00 0.00 C ATOM 79 CG1 VAL A 5 4.268 42.614 0.052 1.00 0.00 C ATOM 80 CG2 VAL A 5 2.813 42.810 -1.948 1.00 0.00 C ATOM 0 H VAL A 5 2.128 46.025 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 5 1.848 43.719 0.339 1.00 0.00 H new ATOM 0 HB VAL A 5 4.265 44.355 -1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.015 42.069 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.758 43.146 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.542 41.911 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.543 42.206 -2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.086 42.157 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.299 43.468 -2.649 1.00 0.00 H new ATOM 90 N LYS A 6 3.012 45.133 1.997 1.00 0.00 N ATOM 91 CA LYS A 6 3.733 45.866 3.074 1.00 0.00 C ATOM 92 C LYS A 6 5.053 45.122 3.352 1.00 0.00 C ATOM 93 O LYS A 6 5.066 44.028 3.880 1.00 0.00 O ATOM 94 CB LYS A 6 2.920 45.785 4.423 1.00 0.00 C ATOM 95 CG LYS A 6 1.534 46.515 4.309 1.00 0.00 C ATOM 96 CD LYS A 6 1.689 48.047 4.322 1.00 0.00 C ATOM 97 CE LYS A 6 0.392 48.813 3.867 1.00 0.00 C ATOM 98 NZ LYS A 6 0.614 50.285 4.007 1.00 0.00 N ATOM 0 H LYS A 6 2.483 44.327 2.329 1.00 0.00 H new ATOM 0 HA LYS A 6 3.877 46.900 2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.760 44.740 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.503 46.234 5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.037 46.208 3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.893 46.208 5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.957 48.369 5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.515 48.326 3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.154 48.566 2.832 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.459 48.503 4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.200 50.798 3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.721 50.526 5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.476 50.557 3.492 1.00 0.00 H new ATOM 112 N THR A 7 6.243 45.691 3.095 1.00 0.00 N ATOM 113 CA THR A 7 7.504 45.032 3.441 1.00 0.00 C ATOM 114 C THR A 7 7.862 45.059 4.989 1.00 0.00 C ATOM 115 O THR A 7 7.347 45.915 5.704 1.00 0.00 O ATOM 116 CB THR A 7 8.684 45.654 2.698 1.00 0.00 C ATOM 117 OG1 THR A 7 8.950 46.984 3.092 1.00 0.00 O ATOM 118 CG2 THR A 7 8.427 45.766 1.174 1.00 0.00 C ATOM 0 H THR A 7 6.353 46.602 2.650 1.00 0.00 H new ATOM 0 HA THR A 7 7.342 43.996 3.143 1.00 0.00 H new ATOM 0 HB THR A 7 9.511 44.986 2.938 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.715 47.329 2.585 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.295 46.214 0.691 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.254 44.773 0.760 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.551 46.390 0.998 1.00 0.00 H new ATOM 126 N LEU A 8 8.819 44.202 5.455 1.00 0.00 N ATOM 127 CA LEU A 8 9.352 44.184 6.879 1.00 0.00 C ATOM 128 C LEU A 8 10.001 45.510 7.302 1.00 0.00 C ATOM 129 O LEU A 8 9.935 45.859 8.489 1.00 0.00 O ATOM 130 CB LEU A 8 10.225 42.941 7.142 1.00 0.00 C ATOM 131 CG LEU A 8 10.636 42.741 8.610 1.00 0.00 C ATOM 132 CD1 LEU A 8 9.368 42.458 9.513 1.00 0.00 C ATOM 133 CD2 LEU A 8 11.522 41.517 8.680 1.00 0.00 C ATOM 0 H LEU A 8 9.253 43.496 4.861 1.00 0.00 H new ATOM 0 HA LEU A 8 8.491 44.091 7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.683 42.056 6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.126 43.012 6.533 1.00 0.00 H new ATOM 0 HG LEU A 8 11.142 43.639 8.964 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.682 42.320 10.548 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.682 43.303 9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.866 41.556 9.162 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.830 41.349 9.712 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.971 40.648 8.320 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.404 41.670 8.058 1.00 0.00 H new ATOM 145 N THR A 9 10.603 46.270 6.342 1.00 0.00 N ATOM 146 CA THR A 9 11.124 47.612 6.584 1.00 0.00 C ATOM 147 C THR A 9 10.000 48.630 6.844 1.00 0.00 C ATOM 148 O THR A 9 10.234 49.575 7.573 1.00 0.00 O ATOM 149 CB THR A 9 11.945 48.168 5.424 1.00 0.00 C ATOM 150 OG1 THR A 9 12.850 47.167 5.036 1.00 0.00 O ATOM 151 CG2 THR A 9 12.900 49.291 5.961 1.00 0.00 C ATOM 0 H THR A 9 10.732 45.951 5.382 1.00 0.00 H new ATOM 0 HA THR A 9 11.760 47.488 7.460 1.00 0.00 H new ATOM 0 HB THR A 9 11.268 48.510 4.642 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.395 47.491 4.288 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.489 49.692 5.137 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.308 50.090 6.406 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.567 48.872 6.714 1.00 0.00 H new ATOM 159 N GLY A 10 8.842 48.407 6.192 1.00 0.00 N ATOM 160 CA GLY A 10 7.664 49.276 6.295 1.00 0.00 C ATOM 161 C GLY A 10 7.424 50.137 5.037 1.00 0.00 C ATOM 162 O GLY A 10 6.727 51.182 5.107 1.00 0.00 O ATOM 0 H GLY A 10 8.702 47.608 5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.783 48.661 6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.780 49.932 7.158 1.00 0.00 H new ATOM 166 N LYS A 11 7.830 49.612 3.875 1.00 0.00 N ATOM 167 CA LYS A 11 7.506 50.267 2.593 1.00 0.00 C ATOM 168 C LYS A 11 6.291 49.641 2.013 1.00 0.00 C ATOM 169 O LYS A 11 6.147 48.419 1.994 1.00 0.00 O ATOM 170 CB LYS A 11 8.671 50.170 1.593 1.00 0.00 C ATOM 171 CG LYS A 11 8.631 51.069 0.304 1.00 0.00 C ATOM 172 CD LYS A 11 10.080 51.028 -0.262 1.00 0.00 C ATOM 173 CE LYS A 11 10.317 51.938 -1.518 1.00 0.00 C ATOM 174 NZ LYS A 11 9.656 51.228 -2.671 1.00 0.00 N ATOM 0 H LYS A 11 8.373 48.753 3.791 1.00 0.00 H new ATOM 0 HA LYS A 11 7.326 51.324 2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.590 50.403 2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.745 49.131 1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.913 50.687 -0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.330 52.089 0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.772 51.330 0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.325 49.999 -0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.886 52.928 -1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.382 52.078 -1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.025 51.604 -3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.858 50.209 -2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.628 51.380 -2.629 1.00 0.00 H new ATOM 188 N THR A 12 5.430 50.459 1.362 1.00 0.00 N ATOM 189 CA THR A 12 4.249 49.924 0.684 1.00 0.00 C ATOM 190 C THR A 12 4.527 49.876 -0.791 1.00 0.00 C ATOM 191 O THR A 12 4.725 50.910 -1.418 1.00 0.00 O ATOM 192 CB THR A 12 2.991 50.778 0.908 1.00 0.00 C ATOM 193 OG1 THR A 12 2.684 50.709 2.264 1.00 0.00 O ATOM 194 CG2 THR A 12 1.790 50.252 0.112 1.00 0.00 C ATOM 0 H THR A 12 5.536 51.471 1.298 1.00 0.00 H new ATOM 0 HA THR A 12 4.056 48.935 1.099 1.00 0.00 H new ATOM 0 HB THR A 12 3.190 51.797 0.576 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.693 51.611 2.648 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.923 50.885 0.300 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.025 50.265 -0.952 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.567 49.231 0.422 1.00 0.00 H new ATOM 202 N ILE A 13 4.429 48.684 -1.342 1.00 0.00 N ATOM 203 CA ILE A 13 4.667 48.482 -2.748 1.00 0.00 C ATOM 204 C ILE A 13 3.308 48.381 -3.387 1.00 0.00 C ATOM 205 O ILE A 13 2.356 47.790 -2.845 1.00 0.00 O ATOM 206 CB ILE A 13 5.428 47.187 -3.037 1.00 0.00 C ATOM 207 CG1 ILE A 13 6.499 46.963 -1.972 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.067 47.224 -4.460 1.00 0.00 C ATOM 209 CD1 ILE A 13 7.607 48.037 -1.871 1.00 0.00 C ATOM 0 H ILE A 13 4.184 47.837 -0.829 1.00 0.00 H new ATOM 0 HA ILE A 13 5.272 49.303 -3.133 1.00 0.00 H new ATOM 0 HB ILE A 13 4.723 46.356 -3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.006 46.889 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.973 46.000 -2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.603 46.292 -4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.283 47.344 -5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.762 48.061 -4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.306 47.765 -1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.140 48.100 -2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.157 49.003 -1.642 1.00 0.00 H new ATOM 221 N THR A 14 3.165 49.011 -4.572 1.00 0.00 N ATOM 222 CA THR A 14 1.969 48.772 -5.364 1.00 0.00 C ATOM 223 C THR A 14 2.398 47.935 -6.537 1.00 0.00 C ATOM 224 O THR A 14 3.357 48.334 -7.190 1.00 0.00 O ATOM 225 CB THR A 14 1.284 50.027 -5.992 1.00 0.00 C ATOM 226 OG1 THR A 14 1.021 50.897 -4.885 1.00 0.00 O ATOM 227 CG2 THR A 14 -0.105 49.728 -6.613 1.00 0.00 C ATOM 0 H THR A 14 3.839 49.660 -4.978 1.00 0.00 H new ATOM 0 HA THR A 14 1.248 48.329 -4.677 1.00 0.00 H new ATOM 0 HB THR A 14 1.932 50.420 -6.775 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.588 51.715 -5.207 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.522 50.645 -7.030 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.002 48.985 -7.404 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.773 49.344 -5.842 1.00 0.00 H new ATOM 235 N LEU A 15 1.710 46.807 -6.803 1.00 0.00 N ATOM 236 CA LEU A 15 2.159 45.979 -7.919 1.00 0.00 C ATOM 237 C LEU A 15 1.015 45.644 -8.863 1.00 0.00 C ATOM 238 O LEU A 15 -0.047 45.235 -8.471 1.00 0.00 O ATOM 239 CB LEU A 15 2.826 44.659 -7.419 1.00 0.00 C ATOM 240 CG LEU A 15 3.986 44.860 -6.390 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.353 44.586 -4.981 1.00 0.00 C ATOM 242 CD2 LEU A 15 5.233 43.942 -6.741 1.00 0.00 C ATOM 0 H LEU A 15 0.894 46.470 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 15 2.901 46.564 -8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.060 44.031 -6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.213 44.115 -8.281 1.00 0.00 H new ATOM 0 HG LEU A 15 4.398 45.869 -6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.114 44.710 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.540 45.290 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.965 43.568 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.023 44.105 -6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.931 42.895 -6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.603 44.195 -7.734 1.00 0.00 H new ATOM 254 N GLU A 16 1.264 45.822 -10.204 1.00 0.00 N ATOM 255 CA GLU A 16 0.296 45.458 -11.203 1.00 0.00 C ATOM 256 C GLU A 16 0.447 44.000 -11.666 1.00 0.00 C ATOM 257 O GLU A 16 1.461 43.550 -12.218 1.00 0.00 O ATOM 258 CB GLU A 16 0.320 46.481 -12.411 1.00 0.00 C ATOM 259 CG GLU A 16 -0.637 46.112 -13.589 1.00 0.00 C ATOM 260 CD GLU A 16 -2.128 46.034 -13.168 1.00 0.00 C ATOM 261 OE1 GLU A 16 -2.869 45.195 -13.719 1.00 0.00 O ATOM 262 OE2 GLU A 16 -2.453 46.852 -12.294 1.00 0.00 O ATOM 0 H GLU A 16 2.129 46.214 -10.577 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.689 45.520 -10.740 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.053 47.470 -12.039 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.338 46.548 -12.794 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.529 46.853 -14.381 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.334 45.152 -14.007 1.00 0.00 H new ATOM 269 N VAL A 17 -0.591 43.215 -11.390 1.00 0.00 N ATOM 270 CA VAL A 17 -0.581 41.747 -11.631 1.00 0.00 C ATOM 271 C VAL A 17 -1.934 41.302 -12.092 1.00 0.00 C ATOM 272 O VAL A 17 -2.959 42.033 -12.003 1.00 0.00 O ATOM 273 CB VAL A 17 -0.235 40.934 -10.341 1.00 0.00 C ATOM 274 CG1 VAL A 17 1.230 41.082 -10.041 1.00 0.00 C ATOM 275 CG2 VAL A 17 -1.117 41.418 -9.145 1.00 0.00 C ATOM 0 H VAL A 17 -1.465 43.561 -10.995 1.00 0.00 H new ATOM 0 HA VAL A 17 0.184 41.559 -12.385 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.450 39.877 -10.500 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.476 40.517 -9.142 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.813 40.702 -10.880 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.465 42.135 -9.883 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.867 40.844 -8.253 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.931 42.476 -8.960 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.170 41.272 -9.387 1.00 0.00 H new ATOM 285 N GLU A 18 -1.963 40.090 -12.682 1.00 0.00 N ATOM 286 CA GLU A 18 -3.238 39.554 -13.157 1.00 0.00 C ATOM 287 C GLU A 18 -3.820 38.646 -12.106 1.00 0.00 C ATOM 288 O GLU A 18 -3.054 38.140 -11.325 1.00 0.00 O ATOM 289 CB GLU A 18 -3.139 38.672 -14.409 1.00 0.00 C ATOM 290 CG GLU A 18 -2.737 39.498 -15.656 1.00 0.00 C ATOM 291 CD GLU A 18 -2.669 38.530 -16.852 1.00 0.00 C ATOM 292 OE1 GLU A 18 -3.706 38.408 -17.533 1.00 0.00 O ATOM 293 OE2 GLU A 18 -1.626 37.914 -17.096 1.00 0.00 O ATOM 0 H GLU A 18 -1.151 39.491 -12.833 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.836 40.437 -13.382 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.406 37.883 -14.242 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.097 38.184 -14.588 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.464 40.288 -15.843 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.773 39.983 -15.500 1.00 0.00 H new ATOM 300 N PRO A 19 -5.091 38.422 -12.066 1.00 0.00 N ATOM 301 CA PRO A 19 -5.655 37.430 -11.078 1.00 0.00 C ATOM 302 C PRO A 19 -5.141 35.994 -11.232 1.00 0.00 C ATOM 303 O PRO A 19 -5.397 35.212 -10.325 1.00 0.00 O ATOM 304 CB PRO A 19 -7.171 37.669 -11.085 1.00 0.00 C ATOM 305 CG PRO A 19 -7.441 38.306 -12.454 1.00 0.00 C ATOM 306 CD PRO A 19 -6.149 39.127 -12.774 1.00 0.00 C ATOM 0 HA PRO A 19 -5.284 37.595 -10.067 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.722 36.737 -10.963 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.475 38.328 -10.272 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.626 37.547 -13.214 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.321 38.949 -12.425 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.955 39.162 -13.846 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.238 40.158 -12.432 1.00 0.00 H new ATOM 314 N SER A 20 -4.472 35.565 -12.326 1.00 0.00 N ATOM 315 CA SER A 20 -4.028 34.167 -12.517 1.00 0.00 C ATOM 316 C SER A 20 -2.518 34.141 -12.216 1.00 0.00 C ATOM 317 O SER A 20 -1.924 33.067 -12.298 1.00 0.00 O ATOM 318 CB SER A 20 -4.407 33.591 -13.917 1.00 0.00 C ATOM 319 OG SER A 20 -3.853 34.273 -15.036 1.00 0.00 O ATOM 0 H SER A 20 -4.225 36.180 -13.102 1.00 0.00 H new ATOM 0 HA SER A 20 -4.551 33.499 -11.833 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.092 32.548 -13.958 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.493 33.599 -14.011 1.00 0.00 H new ATOM 0 HG SER A 20 -4.147 33.837 -15.863 1.00 0.00 H new ATOM 325 N ASP A 21 -1.837 35.267 -11.857 1.00 0.00 N ATOM 326 CA ASP A 21 -0.412 35.203 -11.578 1.00 0.00 C ATOM 327 C ASP A 21 -0.173 34.508 -10.208 1.00 0.00 C ATOM 328 O ASP A 21 -0.981 34.717 -9.338 1.00 0.00 O ATOM 329 CB ASP A 21 0.203 36.620 -11.570 1.00 0.00 C ATOM 330 CG ASP A 21 0.134 37.312 -12.983 1.00 0.00 C ATOM 331 OD1 ASP A 21 0.543 38.489 -13.138 1.00 0.00 O ATOM 332 OD2 ASP A 21 -0.343 36.626 -13.883 1.00 0.00 O ATOM 0 H ASP A 21 -2.255 36.193 -11.762 1.00 0.00 H new ATOM 0 HA ASP A 21 0.072 34.622 -12.363 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.322 37.237 -10.840 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.243 36.560 -11.248 1.00 0.00 H new ATOM 337 N THR A 22 0.935 33.755 -10.010 1.00 0.00 N ATOM 338 CA THR A 22 1.162 33.014 -8.740 1.00 0.00 C ATOM 339 C THR A 22 1.889 33.859 -7.670 1.00 0.00 C ATOM 340 O THR A 22 2.418 34.935 -7.937 1.00 0.00 O ATOM 341 CB THR A 22 2.022 31.702 -8.957 1.00 0.00 C ATOM 342 OG1 THR A 22 3.297 32.067 -9.440 1.00 0.00 O ATOM 343 CG2 THR A 22 1.485 30.684 -10.049 1.00 0.00 C ATOM 0 H THR A 22 1.677 33.643 -10.700 1.00 0.00 H new ATOM 0 HA THR A 22 0.160 32.762 -8.393 1.00 0.00 H new ATOM 0 HB THR A 22 1.998 31.216 -7.982 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.196 32.637 -10.231 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.155 29.826 -10.108 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.487 30.346 -9.771 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.444 31.179 -11.019 1.00 0.00 H new ATOM 351 N ILE A 23 1.861 33.372 -6.424 1.00 0.00 N ATOM 352 CA ILE A 23 2.694 34.010 -5.353 1.00 0.00 C ATOM 353 C ILE A 23 4.206 33.976 -5.670 1.00 0.00 C ATOM 354 O ILE A 23 4.933 34.890 -5.246 1.00 0.00 O ATOM 355 CB ILE A 23 2.394 33.340 -4.024 1.00 0.00 C ATOM 356 CG1 ILE A 23 0.876 33.393 -3.712 1.00 0.00 C ATOM 357 CG2 ILE A 23 3.221 34.062 -2.948 1.00 0.00 C ATOM 358 CD1 ILE A 23 0.334 34.742 -3.179 1.00 0.00 C ATOM 0 H ILE A 23 1.302 32.574 -6.123 1.00 0.00 H new ATOM 0 HA ILE A 23 2.426 35.065 -5.301 1.00 0.00 H new ATOM 0 HB ILE A 23 2.666 32.285 -4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.330 33.140 -4.621 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.650 32.619 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.031 33.606 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.281 33.978 -3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.938 35.114 -2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.737 34.657 -2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.841 34.995 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.516 35.524 -3.916 1.00 0.00 H new ATOM 370 N GLU A 24 4.723 32.897 -6.252 1.00 0.00 N ATOM 371 CA GLU A 24 6.088 32.901 -6.760 1.00 0.00 C ATOM 372 C GLU A 24 6.336 34.084 -7.693 1.00 0.00 C ATOM 373 O GLU A 24 7.316 34.799 -7.541 1.00 0.00 O ATOM 374 CB GLU A 24 6.418 31.495 -7.338 1.00 0.00 C ATOM 375 CG GLU A 24 7.361 31.601 -8.578 1.00 0.00 C ATOM 376 CD GLU A 24 7.819 30.258 -9.056 1.00 0.00 C ATOM 377 OE1 GLU A 24 7.632 30.036 -10.262 1.00 0.00 O ATOM 378 OE2 GLU A 24 8.385 29.517 -8.237 1.00 0.00 O ATOM 0 H GLU A 24 4.222 32.018 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 24 6.803 33.069 -5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.892 30.885 -6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.495 30.990 -7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.840 32.114 -9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.229 32.209 -8.322 1.00 0.00 H new ATOM 385 N ASN A 25 5.493 34.323 -8.680 1.00 0.00 N ATOM 386 CA ASN A 25 5.693 35.544 -9.549 1.00 0.00 C ATOM 387 C ASN A 25 5.534 36.860 -8.791 1.00 0.00 C ATOM 388 O ASN A 25 6.289 37.827 -9.049 1.00 0.00 O ATOM 389 CB ASN A 25 4.675 35.646 -10.780 1.00 0.00 C ATOM 390 CG ASN A 25 4.598 34.339 -11.469 1.00 0.00 C ATOM 391 OD1 ASN A 25 3.446 33.895 -11.591 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.674 33.831 -12.175 1.00 0.00 N ATOM 0 H ASN A 25 4.691 33.741 -8.920 1.00 0.00 H new ATOM 0 HA ASN A 25 6.715 35.406 -9.903 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.687 35.940 -10.425 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.006 36.417 -11.476 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.537 33.060 -12.828 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.604 34.228 -12.042 1.00 0.00 H new ATOM 399 N VAL A 26 4.639 36.911 -7.811 1.00 0.00 N ATOM 400 CA VAL A 26 4.598 38.090 -6.905 1.00 0.00 C ATOM 401 C VAL A 26 6.021 38.277 -6.206 1.00 0.00 C ATOM 402 O VAL A 26 6.649 39.329 -6.286 1.00 0.00 O ATOM 403 CB VAL A 26 3.397 38.122 -5.958 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.568 39.292 -4.937 1.00 0.00 C ATOM 405 CG2 VAL A 26 2.022 38.269 -6.739 1.00 0.00 C ATOM 0 H VAL A 26 3.949 36.187 -7.614 1.00 0.00 H new ATOM 0 HA VAL A 26 4.417 38.977 -7.512 1.00 0.00 H new ATOM 0 HB VAL A 26 3.364 37.170 -5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.712 39.314 -4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.481 39.141 -4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.631 40.238 -5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.198 38.287 -6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.026 39.196 -7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.896 37.425 -7.417 1.00 0.00 H new ATOM 415 N LYS A 27 6.615 37.236 -5.585 1.00 0.00 N ATOM 416 CA LYS A 27 7.998 37.262 -5.138 1.00 0.00 C ATOM 417 C LYS A 27 9.061 37.547 -6.220 1.00 0.00 C ATOM 418 O LYS A 27 10.043 38.262 -5.941 1.00 0.00 O ATOM 419 CB LYS A 27 8.274 35.901 -4.470 1.00 0.00 C ATOM 420 CG LYS A 27 7.421 35.878 -3.141 1.00 0.00 C ATOM 421 CD LYS A 27 7.604 34.486 -2.569 1.00 0.00 C ATOM 422 CE LYS A 27 6.827 34.391 -1.234 1.00 0.00 C ATOM 423 NZ LYS A 27 7.026 32.991 -0.793 1.00 0.00 N ATOM 0 H LYS A 27 6.136 36.358 -5.385 1.00 0.00 H new ATOM 0 HA LYS A 27 8.097 38.109 -4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.990 35.080 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.336 35.783 -4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.765 36.639 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.370 36.084 -3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.239 33.738 -3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.662 34.281 -2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.212 35.098 -0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.770 34.618 -1.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.200 32.680 -0.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.139 32.378 -1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.879 32.931 -0.201 1.00 0.00 H new ATOM 437 N ALA A 28 8.833 37.124 -7.458 1.00 0.00 N ATOM 438 CA ALA A 28 9.691 37.657 -8.514 1.00 0.00 C ATOM 439 C ALA A 28 9.600 39.173 -8.709 1.00 0.00 C ATOM 440 O ALA A 28 10.642 39.809 -8.814 1.00 0.00 O ATOM 441 CB ALA A 28 9.425 37.014 -9.863 1.00 0.00 C ATOM 0 H ALA A 28 8.114 36.460 -7.746 1.00 0.00 H new ATOM 0 HA ALA A 28 10.691 37.412 -8.157 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.090 37.447 -10.610 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.604 35.941 -9.796 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.389 37.191 -10.153 1.00 0.00 H new ATOM 447 N LYS A 29 8.406 39.746 -8.727 1.00 0.00 N ATOM 448 CA LYS A 29 8.259 41.184 -8.853 1.00 0.00 C ATOM 449 C LYS A 29 8.977 41.935 -7.704 1.00 0.00 C ATOM 450 O LYS A 29 9.615 42.948 -7.922 1.00 0.00 O ATOM 451 CB LYS A 29 6.753 41.522 -8.860 1.00 0.00 C ATOM 452 CG LYS A 29 6.187 41.489 -10.313 1.00 0.00 C ATOM 453 CD LYS A 29 6.361 40.204 -11.175 1.00 0.00 C ATOM 454 CE LYS A 29 5.747 40.498 -12.603 1.00 0.00 C ATOM 455 NZ LYS A 29 6.447 41.663 -13.313 1.00 0.00 N ATOM 0 H LYS A 29 7.526 39.235 -8.656 1.00 0.00 H new ATOM 0 HA LYS A 29 8.723 41.509 -9.784 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.212 40.809 -8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.595 42.509 -8.425 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.119 41.699 -10.252 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.644 42.314 -10.860 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.415 39.939 -11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.856 39.358 -10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.823 39.602 -13.219 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.686 40.724 -12.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.633 41.405 -14.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.837 42.504 -13.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.347 41.871 -12.834 1.00 0.00 H new ATOM 469 N ILE A 30 8.808 41.425 -6.500 1.00 0.00 N ATOM 470 CA ILE A 30 9.421 42.008 -5.282 1.00 0.00 C ATOM 471 C ILE A 30 10.931 41.968 -5.391 1.00 0.00 C ATOM 472 O ILE A 30 11.560 42.912 -4.902 1.00 0.00 O ATOM 473 CB ILE A 30 8.815 41.339 -4.017 1.00 0.00 C ATOM 474 CG1 ILE A 30 7.325 41.836 -3.780 1.00 0.00 C ATOM 475 CG2 ILE A 30 9.667 41.664 -2.755 1.00 0.00 C ATOM 476 CD1 ILE A 30 7.185 43.333 -3.261 1.00 0.00 C ATOM 0 H ILE A 30 8.245 40.594 -6.319 1.00 0.00 H new ATOM 0 HA ILE A 30 9.180 43.066 -5.183 1.00 0.00 H new ATOM 0 HB ILE A 30 8.816 40.262 -4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.774 41.740 -4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.848 41.172 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.223 41.185 -1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.682 41.292 -2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.694 42.743 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.130 43.576 -3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.702 43.437 -2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.627 44.013 -3.989 1.00 0.00 H new ATOM 488 N GLN A 31 11.477 40.896 -5.989 1.00 0.00 N ATOM 489 CA GLN A 31 12.945 40.796 -6.269 1.00 0.00 C ATOM 490 C GLN A 31 13.417 41.885 -7.261 1.00 0.00 C ATOM 491 O GLN A 31 14.377 42.647 -6.980 1.00 0.00 O ATOM 492 CB GLN A 31 13.345 39.325 -6.677 1.00 0.00 C ATOM 493 CG GLN A 31 14.674 39.237 -7.474 1.00 0.00 C ATOM 494 CD GLN A 31 15.930 39.786 -6.782 1.00 0.00 C ATOM 495 OE1 GLN A 31 16.100 39.609 -5.571 1.00 0.00 O ATOM 496 NE2 GLN A 31 16.629 40.715 -7.389 1.00 0.00 N ATOM 0 H GLN A 31 10.939 40.084 -6.292 1.00 0.00 H new ATOM 0 HA GLN A 31 13.489 41.004 -5.348 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.432 38.718 -5.776 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.543 38.893 -7.276 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.853 38.191 -7.724 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.543 39.771 -8.415 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.503 40.877 -8.388 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.298 41.276 -6.862 1.00 0.00 H new ATOM 505 N ASP A 32 12.692 42.028 -8.377 1.00 0.00 N ATOM 506 CA ASP A 32 12.978 43.132 -9.328 1.00 0.00 C ATOM 507 C ASP A 32 12.820 44.568 -8.805 1.00 0.00 C ATOM 508 O ASP A 32 13.692 45.382 -9.097 1.00 0.00 O ATOM 509 CB ASP A 32 12.025 42.920 -10.534 1.00 0.00 C ATOM 510 CG ASP A 32 12.444 41.689 -11.353 1.00 0.00 C ATOM 511 OD1 ASP A 32 11.633 41.287 -12.153 1.00 0.00 O ATOM 512 OD2 ASP A 32 13.573 41.229 -11.302 1.00 0.00 O ATOM 0 H ASP A 32 11.922 41.417 -8.648 1.00 0.00 H new ATOM 0 HA ASP A 32 14.040 43.068 -9.566 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.003 42.794 -10.177 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.034 43.805 -11.170 1.00 0.00 H new ATOM 517 N LYS A 33 11.765 44.898 -8.060 1.00 0.00 N ATOM 518 CA LYS A 33 11.489 46.277 -7.607 1.00 0.00 C ATOM 519 C LYS A 33 12.174 46.569 -6.279 1.00 0.00 C ATOM 520 O LYS A 33 12.640 47.712 -6.135 1.00 0.00 O ATOM 521 CB LYS A 33 10.015 46.439 -7.355 1.00 0.00 C ATOM 522 CG LYS A 33 9.156 46.137 -8.674 1.00 0.00 C ATOM 523 CD LYS A 33 9.529 47.223 -9.707 1.00 0.00 C ATOM 524 CE LYS A 33 8.320 47.524 -10.678 1.00 0.00 C ATOM 525 NZ LYS A 33 8.735 48.571 -11.704 1.00 0.00 N ATOM 0 H LYS A 33 11.070 44.219 -7.748 1.00 0.00 H new ATOM 0 HA LYS A 33 11.853 46.949 -8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.705 45.765 -6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.813 47.454 -7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.378 45.143 -9.061 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.089 46.162 -8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.820 48.137 -9.189 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.392 46.897 -10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.010 46.609 -11.183 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.462 47.880 -10.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.937 48.767 -12.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.011 49.446 -11.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.541 48.215 -12.257 1.00 0.00 H new ATOM 539 N GLU A 34 12.357 45.575 -5.348 1.00 0.00 N ATOM 540 CA GLU A 34 12.949 45.841 -4.037 1.00 0.00 C ATOM 541 C GLU A 34 14.343 45.184 -3.796 1.00 0.00 C ATOM 542 O GLU A 34 14.919 45.540 -2.758 1.00 0.00 O ATOM 543 CB GLU A 34 11.996 45.444 -2.899 1.00 0.00 C ATOM 544 CG GLU A 34 10.774 46.418 -2.708 1.00 0.00 C ATOM 545 CD GLU A 34 11.167 47.870 -2.327 1.00 0.00 C ATOM 546 OE1 GLU A 34 10.771 48.836 -2.997 1.00 0.00 O ATOM 547 OE2 GLU A 34 11.879 47.985 -1.328 1.00 0.00 O ATOM 0 H GLU A 34 12.099 44.600 -5.501 1.00 0.00 H new ATOM 0 HA GLU A 34 13.113 46.919 -4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.619 44.440 -3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.560 45.400 -1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.195 46.441 -3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.122 46.016 -1.933 1.00 0.00 H new ATOM 554 N GLY A 35 14.851 44.355 -4.739 1.00 0.00 N ATOM 555 CA GLY A 35 16.147 43.661 -4.534 1.00 0.00 C ATOM 556 C GLY A 35 16.074 42.715 -3.324 1.00 0.00 C ATOM 557 O GLY A 35 16.874 42.819 -2.447 1.00 0.00 O ATOM 0 H GLY A 35 14.397 44.153 -5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.407 43.095 -5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.938 44.395 -4.380 1.00 0.00 H new ATOM 561 N ILE A 36 15.157 41.757 -3.331 1.00 0.00 N ATOM 562 CA ILE A 36 14.871 40.895 -2.166 1.00 0.00 C ATOM 563 C ILE A 36 14.917 39.367 -2.593 1.00 0.00 C ATOM 564 O ILE A 36 14.059 38.953 -3.384 1.00 0.00 O ATOM 565 CB ILE A 36 13.459 41.261 -1.706 1.00 0.00 C ATOM 566 CG1 ILE A 36 13.531 42.699 -1.055 1.00 0.00 C ATOM 567 CG2 ILE A 36 12.836 40.209 -0.702 1.00 0.00 C ATOM 568 CD1 ILE A 36 12.148 43.009 -0.288 1.00 0.00 C ATOM 0 H ILE A 36 14.581 41.546 -4.145 1.00 0.00 H new ATOM 0 HA ILE A 36 15.605 41.041 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 36 12.794 41.254 -2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 36 14.367 42.753 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.709 43.450 -1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.834 40.529 -0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.781 39.233 -1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.463 40.139 0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.196 44.001 0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.322 42.972 -0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.990 42.264 0.492 1.00 0.00 H new ATOM 580 N PRO A 37 15.879 38.591 -2.116 1.00 0.00 N ATOM 581 CA PRO A 37 15.971 37.083 -2.361 1.00 0.00 C ATOM 582 C PRO A 37 14.639 36.323 -2.434 1.00 0.00 C ATOM 583 O PRO A 37 13.961 36.266 -1.437 1.00 0.00 O ATOM 584 CB PRO A 37 16.877 36.737 -1.114 1.00 0.00 C ATOM 585 CG PRO A 37 17.903 37.831 -1.123 1.00 0.00 C ATOM 586 CD PRO A 37 17.051 39.098 -1.360 1.00 0.00 C ATOM 0 HA PRO A 37 16.355 36.789 -3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.302 36.731 -0.188 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.336 35.753 -1.210 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.449 37.881 -0.181 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.641 37.687 -1.912 1.00 0.00 H new ATOM 0 HD2 PRO A 37 16.752 39.562 -0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.599 39.850 -1.927 1.00 0.00 H new ATOM 594 N PRO A 38 14.311 35.709 -3.561 1.00 0.00 N ATOM 595 CA PRO A 38 13.000 35.034 -3.668 1.00 0.00 C ATOM 596 C PRO A 38 12.915 33.868 -2.739 1.00 0.00 C ATOM 597 O PRO A 38 11.833 33.525 -2.287 1.00 0.00 O ATOM 598 CB PRO A 38 12.845 34.659 -5.198 1.00 0.00 C ATOM 599 CG PRO A 38 14.206 34.878 -5.805 1.00 0.00 C ATOM 600 CD PRO A 38 14.909 35.891 -4.877 1.00 0.00 C ATOM 0 HA PRO A 38 12.170 35.670 -3.360 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.523 33.624 -5.318 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.094 35.284 -5.681 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.765 33.944 -5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.126 35.265 -6.821 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.984 35.712 -4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.766 36.911 -5.233 1.00 0.00 H new ATOM 608 N ASP A 39 14.024 33.233 -2.401 1.00 0.00 N ATOM 609 CA ASP A 39 13.991 32.083 -1.540 1.00 0.00 C ATOM 610 C ASP A 39 13.745 32.506 -0.037 1.00 0.00 C ATOM 611 O ASP A 39 13.321 31.660 0.765 1.00 0.00 O ATOM 612 CB ASP A 39 15.246 31.287 -1.848 1.00 0.00 C ATOM 613 CG ASP A 39 16.554 32.030 -1.550 1.00 0.00 C ATOM 614 OD1 ASP A 39 17.528 31.323 -1.209 1.00 0.00 O ATOM 615 OD2 ASP A 39 16.584 33.270 -1.680 1.00 0.00 O ATOM 0 H ASP A 39 14.956 33.502 -2.715 1.00 0.00 H new ATOM 0 HA ASP A 39 13.145 31.420 -1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.227 30.363 -1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.234 31.005 -2.901 1.00 0.00 H new ATOM 620 N GLN A 40 14.057 33.739 0.347 1.00 0.00 N ATOM 621 CA GLN A 40 13.848 34.154 1.785 1.00 0.00 C ATOM 622 C GLN A 40 12.481 34.782 2.092 1.00 0.00 C ATOM 623 O GLN A 40 12.127 34.922 3.264 1.00 0.00 O ATOM 624 CB GLN A 40 14.944 35.172 2.233 1.00 0.00 C ATOM 625 CG GLN A 40 16.363 34.561 2.173 1.00 0.00 C ATOM 626 CD GLN A 40 16.426 33.220 2.892 1.00 0.00 C ATOM 627 OE1 GLN A 40 16.458 33.233 4.139 1.00 0.00 O ATOM 628 NE2 GLN A 40 16.260 32.123 2.122 1.00 0.00 N ATOM 0 H GLN A 40 14.440 34.461 -0.263 1.00 0.00 H new ATOM 0 HA GLN A 40 13.908 33.217 2.339 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.902 36.054 1.594 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.735 35.505 3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 40 16.660 34.431 1.132 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.076 35.251 2.624 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.247 32.210 1.106 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.148 31.207 2.557 1.00 0.00 H new ATOM 637 N GLN A 41 11.741 35.148 1.077 1.00 0.00 N ATOM 638 CA GLN A 41 10.449 35.841 1.265 1.00 0.00 C ATOM 639 C GLN A 41 9.382 34.942 1.870 1.00 0.00 C ATOM 640 O GLN A 41 9.071 33.914 1.276 1.00 0.00 O ATOM 641 CB GLN A 41 9.947 36.355 -0.118 1.00 0.00 C ATOM 642 CG GLN A 41 10.681 37.622 -0.647 1.00 0.00 C ATOM 643 CD GLN A 41 10.085 38.026 -2.005 1.00 0.00 C ATOM 644 OE1 GLN A 41 8.936 38.493 -1.956 1.00 0.00 O ATOM 645 NE2 GLN A 41 10.917 38.205 -3.082 1.00 0.00 N ATOM 0 H GLN A 41 11.994 34.987 0.102 1.00 0.00 H new ATOM 0 HA GLN A 41 10.618 36.664 1.960 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.059 35.555 -0.850 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.882 36.573 -0.044 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.578 38.440 0.066 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.747 37.422 -0.750 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.854 37.801 -3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.599 38.742 -3.889 1.00 0.00 H new ATOM 654 N ARG A 42 8.791 35.396 2.972 1.00 0.00 N ATOM 655 CA ARG A 42 7.501 34.812 3.412 1.00 0.00 C ATOM 656 C ARG A 42 6.354 35.812 3.290 1.00 0.00 C ATOM 657 O ARG A 42 6.309 36.781 4.057 1.00 0.00 O ATOM 658 CB ARG A 42 7.553 34.341 4.872 1.00 0.00 C ATOM 659 CG ARG A 42 8.767 33.422 5.046 1.00 0.00 C ATOM 660 CD ARG A 42 8.599 32.098 4.227 1.00 0.00 C ATOM 661 NE ARG A 42 9.898 31.379 4.353 1.00 0.00 N ATOM 662 CZ ARG A 42 10.844 31.249 3.411 1.00 0.00 C ATOM 663 NH1 ARG A 42 10.707 31.736 2.205 1.00 0.00 N ATOM 664 NH2 ARG A 42 11.971 30.600 3.645 1.00 0.00 N ATOM 0 H ARG A 42 9.158 36.139 3.567 1.00 0.00 H new ATOM 0 HA ARG A 42 7.326 33.961 2.753 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.627 35.197 5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.637 33.811 5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.669 33.941 4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.898 33.185 6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.779 31.496 4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.368 32.310 3.183 1.00 0.00 H new ATOM 0 HE ARG A 42 10.088 30.938 5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.856 32.237 1.951 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.451 31.615 1.518 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.139 30.183 4.560 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.673 30.516 2.910 1.00 0.00 H new ATOM 678 N LEU A 43 5.384 35.569 2.384 1.00 0.00 N ATOM 679 CA LEU A 43 4.254 36.476 2.266 1.00 0.00 C ATOM 680 C LEU A 43 3.119 35.983 3.148 1.00 0.00 C ATOM 681 O LEU A 43 2.707 34.803 3.123 1.00 0.00 O ATOM 682 CB LEU A 43 3.783 36.569 0.759 1.00 0.00 C ATOM 683 CG LEU A 43 4.744 37.421 -0.126 1.00 0.00 C ATOM 684 CD1 LEU A 43 4.256 37.424 -1.615 1.00 0.00 C ATOM 685 CD2 LEU A 43 4.700 38.875 0.351 1.00 0.00 C ATOM 0 H LEU A 43 5.370 34.773 1.746 1.00 0.00 H new ATOM 0 HA LEU A 43 4.553 37.472 2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.710 35.564 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.783 37.002 0.722 1.00 0.00 H new ATOM 0 HG LEU A 43 5.745 36.997 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.937 38.023 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.237 36.402 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.254 37.849 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.369 39.479 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.683 39.256 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.017 38.926 1.393 1.00 0.00 H new ATOM 697 N ILE A 44 2.603 36.943 3.952 1.00 0.00 N ATOM 698 CA ILE A 44 1.546 36.645 4.937 1.00 0.00 C ATOM 699 C ILE A 44 0.291 37.446 4.619 1.00 0.00 C ATOM 700 O ILE A 44 0.322 38.629 4.277 1.00 0.00 O ATOM 701 CB ILE A 44 1.955 36.913 6.393 1.00 0.00 C ATOM 702 CG1 ILE A 44 3.407 36.586 6.671 1.00 0.00 C ATOM 703 CG2 ILE A 44 1.007 36.157 7.423 1.00 0.00 C ATOM 704 CD1 ILE A 44 3.954 35.181 6.264 1.00 0.00 C ATOM 0 H ILE A 44 2.900 37.919 3.936 1.00 0.00 H new ATOM 0 HA ILE A 44 1.358 35.575 4.852 1.00 0.00 H new ATOM 0 HB ILE A 44 1.835 37.987 6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.016 37.336 6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.573 36.707 7.741 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.330 36.373 8.441 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.020 36.496 7.289 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.060 35.083 7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.008 35.109 6.532 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.393 34.407 6.787 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.843 35.045 5.188 1.00 0.00 H new ATOM 716 N PHE A 45 -0.853 36.708 4.555 1.00 0.00 N ATOM 717 CA PHE A 45 -2.129 37.278 4.086 1.00 0.00 C ATOM 718 C PHE A 45 -3.221 36.851 5.092 1.00 0.00 C ATOM 719 O PHE A 45 -3.463 35.659 5.185 1.00 0.00 O ATOM 720 CB PHE A 45 -2.523 36.747 2.665 1.00 0.00 C ATOM 721 CG PHE A 45 -3.847 37.360 2.062 1.00 0.00 C ATOM 722 CD1 PHE A 45 -4.149 38.762 2.065 1.00 0.00 C ATOM 723 CD2 PHE A 45 -4.874 36.505 1.764 1.00 0.00 C ATOM 724 CE1 PHE A 45 -5.423 39.249 1.738 1.00 0.00 C ATOM 725 CE2 PHE A 45 -6.151 37.002 1.343 1.00 0.00 C ATOM 726 CZ PHE A 45 -6.423 38.402 1.338 1.00 0.00 C ATOM 0 H PHE A 45 -0.908 35.725 4.822 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.029 38.361 4.018 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.702 36.951 1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.634 35.664 2.717 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.372 39.464 2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.720 35.439 1.847 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.619 40.309 1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.916 36.308 1.026 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.386 38.782 1.029 1.00 0.00 H new ATOM 736 N ALA A 46 -3.843 37.795 5.834 1.00 0.00 N ATOM 737 CA ALA A 46 -4.726 37.507 6.990 1.00 0.00 C ATOM 738 C ALA A 46 -4.113 36.609 8.080 1.00 0.00 C ATOM 739 O ALA A 46 -4.799 35.948 8.858 1.00 0.00 O ATOM 740 CB ALA A 46 -6.117 36.978 6.560 1.00 0.00 C ATOM 0 H ALA A 46 -3.745 38.793 5.645 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.854 38.484 7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.722 36.784 7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.613 37.723 5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.996 36.055 5.994 1.00 0.00 H new ATOM 746 N GLY A 47 -2.808 36.710 8.180 1.00 0.00 N ATOM 747 CA GLY A 47 -2.095 35.982 9.198 1.00 0.00 C ATOM 748 C GLY A 47 -1.717 34.545 8.839 1.00 0.00 C ATOM 749 O GLY A 47 -1.144 33.869 9.699 1.00 0.00 O ATOM 0 H GLY A 47 -2.224 37.285 7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.184 36.529 9.440 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.705 35.964 10.101 1.00 0.00 H new ATOM 753 N LYS A 48 -1.935 34.184 7.578 1.00 0.00 N ATOM 754 CA LYS A 48 -1.633 32.835 7.119 1.00 0.00 C ATOM 755 C LYS A 48 -0.638 33.114 6.009 1.00 0.00 C ATOM 756 O LYS A 48 -0.902 34.006 5.189 1.00 0.00 O ATOM 757 CB LYS A 48 -2.840 32.044 6.535 1.00 0.00 C ATOM 758 CG LYS A 48 -3.958 31.900 7.556 1.00 0.00 C ATOM 759 CD LYS A 48 -3.699 30.902 8.731 1.00 0.00 C ATOM 760 CE LYS A 48 -3.462 29.436 8.283 1.00 0.00 C ATOM 761 NZ LYS A 48 -3.077 28.509 9.458 1.00 0.00 N ATOM 0 H LYS A 48 -2.317 34.802 6.862 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.293 32.208 7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.218 32.556 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.509 31.056 6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.162 32.883 7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.861 31.585 7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.831 31.242 9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.552 30.929 9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.365 29.055 7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.671 29.413 7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.930 27.542 9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.200 28.853 9.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.841 28.507 10.163 1.00 0.00 H new ATOM 775 N GLN A 49 0.495 32.443 6.068 1.00 0.00 N ATOM 776 CA GLN A 49 1.454 32.477 4.968 1.00 0.00 C ATOM 777 C GLN A 49 0.878 31.813 3.699 1.00 0.00 C ATOM 778 O GLN A 49 0.147 30.836 3.826 1.00 0.00 O ATOM 779 CB GLN A 49 2.748 31.797 5.443 1.00 0.00 C ATOM 780 CG GLN A 49 2.760 30.252 5.797 1.00 0.00 C ATOM 781 CD GLN A 49 4.120 29.944 6.424 1.00 0.00 C ATOM 782 OE1 GLN A 49 4.243 30.060 7.694 1.00 0.00 O ATOM 783 NE2 GLN A 49 5.141 29.523 5.744 1.00 0.00 N ATOM 0 H GLN A 49 0.779 31.868 6.861 1.00 0.00 H new ATOM 0 HA GLN A 49 1.671 33.509 4.691 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.498 31.956 4.668 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.087 32.333 6.329 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.953 30.009 6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.604 29.651 4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.072 29.421 4.731 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.013 29.294 6.222 1.00 0.00 H new ATOM 792 N LEU A 50 1.262 32.337 2.533 1.00 0.00 N ATOM 793 CA LEU A 50 0.738 31.858 1.256 1.00 0.00 C ATOM 794 C LEU A 50 1.798 31.166 0.431 1.00 0.00 C ATOM 795 O LEU A 50 2.958 31.485 0.489 1.00 0.00 O ATOM 796 CB LEU A 50 0.241 33.002 0.401 1.00 0.00 C ATOM 797 CG LEU A 50 -0.807 33.954 1.078 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.451 34.757 -0.084 1.00 0.00 C ATOM 799 CD2 LEU A 50 -1.874 33.110 1.784 1.00 0.00 C ATOM 0 H LEU A 50 1.937 33.097 2.449 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.066 31.170 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.099 33.599 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.203 32.588 -0.504 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.351 34.612 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.196 35.444 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.680 35.323 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.931 34.069 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.604 33.767 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.376 32.474 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.402 32.488 2.544 1.00 0.00 H new ATOM 811 N GLU A 51 1.362 30.192 -0.364 1.00 0.00 N ATOM 812 CA GLU A 51 2.302 29.348 -1.124 1.00 0.00 C ATOM 813 C GLU A 51 2.627 29.832 -2.550 1.00 0.00 C ATOM 814 O GLU A 51 1.805 30.294 -3.312 1.00 0.00 O ATOM 815 CB GLU A 51 1.749 27.875 -1.160 1.00 0.00 C ATOM 816 CG GLU A 51 1.727 27.386 0.347 1.00 0.00 C ATOM 817 CD GLU A 51 1.186 25.933 0.492 1.00 0.00 C ATOM 818 OE1 GLU A 51 1.999 25.084 0.811 1.00 0.00 O ATOM 819 OE2 GLU A 51 -0.023 25.712 0.284 1.00 0.00 O ATOM 0 H GLU A 51 0.378 29.963 -0.503 1.00 0.00 H new ATOM 0 HA GLU A 51 3.253 29.408 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.751 27.843 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.385 27.233 -1.770 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.735 27.438 0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.107 28.062 0.936 1.00 0.00 H new ATOM 826 N ASP A 52 3.914 29.590 -2.960 1.00 0.00 N ATOM 827 CA ASP A 52 4.451 30.005 -4.251 1.00 0.00 C ATOM 828 C ASP A 52 3.707 29.413 -5.464 1.00 0.00 C ATOM 829 O ASP A 52 3.555 30.102 -6.467 1.00 0.00 O ATOM 830 CB ASP A 52 5.962 29.522 -4.357 1.00 0.00 C ATOM 831 CG ASP A 52 6.906 30.502 -3.653 1.00 0.00 C ATOM 832 OD1 ASP A 52 8.061 30.563 -4.130 1.00 0.00 O ATOM 833 OD2 ASP A 52 6.538 31.094 -2.673 1.00 0.00 O ATOM 0 H ASP A 52 4.593 29.096 -2.381 1.00 0.00 H new ATOM 0 HA ASP A 52 4.340 31.089 -4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.063 28.532 -3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.245 29.430 -5.406 1.00 0.00 H new ATOM 838 N GLY A 53 3.249 28.182 -5.339 1.00 0.00 N ATOM 839 CA GLY A 53 2.598 27.481 -6.469 1.00 0.00 C ATOM 840 C GLY A 53 1.146 27.830 -6.762 1.00 0.00 C ATOM 841 O GLY A 53 0.660 27.412 -7.805 1.00 0.00 O ATOM 0 H GLY A 53 3.307 27.636 -4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.181 27.678 -7.369 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.656 26.409 -6.280 1.00 0.00 H new ATOM 845 N ARG A 54 0.457 28.489 -5.789 1.00 0.00 N ATOM 846 CA ARG A 54 -0.890 29.043 -5.919 1.00 0.00 C ATOM 847 C ARG A 54 -0.979 30.460 -6.495 1.00 0.00 C ATOM 848 O ARG A 54 -0.031 31.268 -6.486 1.00 0.00 O ATOM 849 CB ARG A 54 -1.746 28.839 -4.592 1.00 0.00 C ATOM 850 CG ARG A 54 -2.682 27.544 -4.703 1.00 0.00 C ATOM 851 CD ARG A 54 -1.869 26.264 -4.913 1.00 0.00 C ATOM 852 NE ARG A 54 -1.154 26.081 -3.638 1.00 0.00 N ATOM 853 CZ ARG A 54 -0.084 25.289 -3.571 1.00 0.00 C ATOM 854 NH1 ARG A 54 0.527 24.777 -4.640 1.00 0.00 N ATOM 855 NH2 ARG A 54 0.493 25.023 -2.411 1.00 0.00 N ATOM 0 H ARG A 54 0.854 28.646 -4.863 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.356 28.444 -6.702 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.078 28.736 -3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.360 29.721 -4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.279 27.449 -3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.379 27.671 -5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.514 25.414 -5.134 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.176 26.364 -5.748 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.480 26.564 -2.801 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.178 24.986 -5.576 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.343 24.177 -4.522 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.120 25.426 -1.551 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.311 24.415 -2.376 1.00 0.00 H new ATOM 869 N THR A 55 -2.227 30.793 -6.886 1.00 0.00 N ATOM 870 CA THR A 55 -2.526 32.075 -7.537 1.00 0.00 C ATOM 871 C THR A 55 -3.340 32.943 -6.611 1.00 0.00 C ATOM 872 O THR A 55 -3.861 32.505 -5.600 1.00 0.00 O ATOM 873 CB THR A 55 -3.236 31.945 -8.894 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.606 31.616 -8.716 1.00 0.00 O ATOM 875 CG2 THR A 55 -2.651 30.775 -9.800 1.00 0.00 C ATOM 0 H THR A 55 -3.039 30.189 -6.760 1.00 0.00 H new ATOM 0 HA THR A 55 -1.561 32.537 -7.748 1.00 0.00 H new ATOM 0 HB THR A 55 -3.088 32.912 -9.375 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.682 30.694 -8.392 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.196 30.738 -10.743 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.596 30.961 -9.998 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.760 29.823 -9.280 1.00 0.00 H new ATOM 883 N LEU A 56 -3.414 34.215 -7.053 1.00 0.00 N ATOM 884 CA LEU A 56 -4.216 35.198 -6.388 1.00 0.00 C ATOM 885 C LEU A 56 -5.708 34.819 -6.405 1.00 0.00 C ATOM 886 O LEU A 56 -6.405 35.081 -5.432 1.00 0.00 O ATOM 887 CB LEU A 56 -4.014 36.623 -7.043 1.00 0.00 C ATOM 888 CG LEU A 56 -2.490 37.059 -6.982 1.00 0.00 C ATOM 889 CD1 LEU A 56 -2.188 38.093 -8.136 1.00 0.00 C ATOM 890 CD2 LEU A 56 -2.162 37.577 -5.594 1.00 0.00 C ATOM 0 H LEU A 56 -2.917 34.562 -7.873 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.887 35.235 -5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.350 36.603 -8.080 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.628 37.358 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.835 36.205 -7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.141 38.391 -8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.394 37.631 -9.102 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.821 38.972 -8.012 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.114 37.876 -5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.793 38.437 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.343 36.791 -4.860 1.00 0.00 H new ATOM 902 N SER A 57 -6.260 34.184 -7.483 1.00 0.00 N ATOM 903 CA SER A 57 -7.654 33.735 -7.468 1.00 0.00 C ATOM 904 C SER A 57 -7.809 32.527 -6.552 1.00 0.00 C ATOM 905 O SER A 57 -8.930 32.438 -5.997 1.00 0.00 O ATOM 906 CB SER A 57 -8.176 33.345 -8.891 1.00 0.00 C ATOM 907 OG SER A 57 -8.015 34.410 -9.802 1.00 0.00 O ATOM 0 H SER A 57 -5.758 33.983 -8.348 1.00 0.00 H new ATOM 0 HA SER A 57 -8.245 34.576 -7.104 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.637 32.469 -9.252 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.229 33.069 -8.832 1.00 0.00 H new ATOM 0 HG SER A 57 -7.061 34.608 -9.909 1.00 0.00 H new ATOM 913 N ASP A 58 -6.775 31.639 -6.282 1.00 0.00 N ATOM 914 CA ASP A 58 -6.938 30.442 -5.421 1.00 0.00 C ATOM 915 C ASP A 58 -7.218 30.798 -3.973 1.00 0.00 C ATOM 916 O ASP A 58 -7.748 29.950 -3.220 1.00 0.00 O ATOM 917 CB ASP A 58 -5.649 29.601 -5.459 1.00 0.00 C ATOM 918 CG ASP A 58 -5.487 28.929 -6.847 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.454 28.208 -7.201 1.00 0.00 O ATOM 920 OD2 ASP A 58 -4.418 29.048 -7.411 1.00 0.00 O ATOM 0 H ASP A 58 -5.833 31.749 -6.657 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.791 29.888 -5.812 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.787 30.235 -5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.680 28.839 -4.680 1.00 0.00 H new ATOM 925 N TYR A 59 -6.942 32.005 -3.558 1.00 0.00 N ATOM 926 CA TYR A 59 -7.264 32.396 -2.169 1.00 0.00 C ATOM 927 C TYR A 59 -8.350 33.415 -2.080 1.00 0.00 C ATOM 928 O TYR A 59 -8.506 33.972 -0.978 1.00 0.00 O ATOM 929 CB TYR A 59 -6.052 33.014 -1.536 1.00 0.00 C ATOM 930 CG TYR A 59 -4.867 32.065 -1.522 1.00 0.00 C ATOM 931 CD1 TYR A 59 -3.679 32.355 -2.186 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.873 30.978 -0.627 1.00 0.00 C ATOM 933 CE1 TYR A 59 -2.535 31.560 -2.042 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.735 30.203 -0.481 1.00 0.00 C ATOM 935 CZ TYR A 59 -2.542 30.480 -1.169 1.00 0.00 C ATOM 936 OH TYR A 59 -1.431 29.659 -1.046 1.00 0.00 O ATOM 0 H TYR A 59 -6.507 32.732 -4.126 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.590 31.485 -1.667 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.783 33.921 -2.078 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.289 33.312 -0.515 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.638 33.219 -2.832 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.761 30.750 -0.057 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.646 31.787 -2.611 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.766 29.354 0.186 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.615 28.956 -0.389 1.00 0.00 H new ATOM 946 N ASN A 60 -9.026 33.635 -3.200 1.00 0.00 N ATOM 947 CA ASN A 60 -9.949 34.750 -3.323 1.00 0.00 C ATOM 948 C ASN A 60 -9.320 36.153 -2.957 1.00 0.00 C ATOM 949 O ASN A 60 -9.822 36.828 -2.086 1.00 0.00 O ATOM 950 CB ASN A 60 -11.307 34.532 -2.575 1.00 0.00 C ATOM 951 CG ASN A 60 -12.057 33.340 -3.172 1.00 0.00 C ATOM 952 OD1 ASN A 60 -12.399 32.318 -2.537 1.00 0.00 O ATOM 953 ND2 ASN A 60 -12.372 33.395 -4.411 1.00 0.00 N ATOM 0 H ASN A 60 -8.951 33.054 -4.035 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.172 34.776 -4.390 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.122 34.360 -1.515 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.920 35.430 -2.650 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.882 32.624 -4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.113 34.210 -4.967 1.00 0.00 H new ATOM 960 N ILE A 61 -8.262 36.611 -3.636 1.00 0.00 N ATOM 961 CA ILE A 61 -7.754 37.998 -3.458 1.00 0.00 C ATOM 962 C ILE A 61 -8.398 38.955 -4.485 1.00 0.00 C ATOM 963 O ILE A 61 -8.178 38.754 -5.649 1.00 0.00 O ATOM 964 CB ILE A 61 -6.197 37.980 -3.574 1.00 0.00 C ATOM 965 CG1 ILE A 61 -5.669 37.236 -2.346 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.661 39.459 -3.667 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.131 37.075 -2.373 1.00 0.00 C ATOM 0 H ILE A 61 -7.737 36.055 -4.311 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.028 38.370 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.854 37.470 -4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.960 37.775 -1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.134 36.252 -2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.574 39.448 -3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.085 39.945 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.952 40.009 -2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.805 36.541 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.840 36.512 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.663 38.059 -2.398 1.00 0.00 H new ATOM 979 N GLN A 62 -9.126 39.956 -4.005 1.00 0.00 N ATOM 980 CA GLN A 62 -9.654 41.068 -4.872 1.00 0.00 C ATOM 981 C GLN A 62 -8.602 42.189 -5.091 1.00 0.00 C ATOM 982 O GLN A 62 -7.577 42.288 -4.408 1.00 0.00 O ATOM 983 CB GLN A 62 -11.038 41.613 -4.283 1.00 0.00 C ATOM 984 CG GLN A 62 -12.108 40.512 -4.121 1.00 0.00 C ATOM 985 CD GLN A 62 -12.212 39.594 -5.359 1.00 0.00 C ATOM 986 OE1 GLN A 62 -11.560 38.538 -5.350 1.00 0.00 O ATOM 987 NE2 GLN A 62 -13.005 39.930 -6.341 1.00 0.00 N ATOM 0 H GLN A 62 -9.379 40.044 -3.021 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.856 40.667 -5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.855 42.077 -3.314 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.424 42.391 -4.942 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.872 39.908 -3.245 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.076 40.977 -3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.520 40.809 -6.302 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.109 39.313 -7.147 1.00 0.00 H new ATOM 996 N LYS A 63 -8.925 43.139 -6.017 1.00 0.00 N ATOM 997 CA LYS A 63 -8.121 44.360 -6.173 1.00 0.00 C ATOM 998 C LYS A 63 -8.137 45.206 -4.898 1.00 0.00 C ATOM 999 O LYS A 63 -9.088 45.393 -4.160 1.00 0.00 O ATOM 1000 CB LYS A 63 -8.529 45.234 -7.411 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.805 46.170 -7.226 1.00 0.00 C ATOM 1002 CD LYS A 63 -11.162 45.316 -7.130 1.00 0.00 C ATOM 1003 CE LYS A 63 -12.380 46.186 -6.699 1.00 0.00 C ATOM 1004 NZ LYS A 63 -12.660 47.211 -7.709 1.00 0.00 N ATOM 0 H LYS A 63 -9.723 43.073 -6.649 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.105 44.013 -6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.680 45.862 -7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.713 44.568 -8.254 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.688 46.770 -6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.871 46.864 -8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.370 44.858 -8.097 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.028 44.504 -6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.257 45.553 -6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.175 46.659 -5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.485 47.772 -7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.834 47.836 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.860 46.754 -8.622 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.931 45.718 -4.650 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.495 46.656 -3.630 1.00 0.00 C ATOM 1020 C GLU A 64 -6.257 45.877 -2.312 1.00 0.00 C ATOM 1021 O GLU A 64 -6.224 46.482 -1.208 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.339 47.924 -3.496 1.00 0.00 C ATOM 1023 CG GLU A 64 -7.205 48.810 -4.785 1.00 0.00 C ATOM 1024 CD GLU A 64 -8.119 50.050 -4.652 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -7.781 50.966 -3.866 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -9.110 50.129 -5.378 1.00 0.00 O ATOM 0 H GLU A 64 -6.143 45.446 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.547 47.089 -3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.384 47.658 -3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.018 48.491 -2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.169 49.121 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.482 48.233 -5.667 1.00 0.00 H new ATOM 1033 N SER A 65 -6.175 44.506 -2.381 1.00 0.00 N ATOM 1034 CA SER A 65 -5.868 43.790 -1.158 1.00 0.00 C ATOM 1035 C SER A 65 -4.408 44.077 -0.692 1.00 0.00 C ATOM 1036 O SER A 65 -3.463 44.185 -1.478 1.00 0.00 O ATOM 1037 CB SER A 65 -6.123 42.262 -1.222 1.00 0.00 C ATOM 1038 OG SER A 65 -7.485 41.942 -1.534 1.00 0.00 O ATOM 0 H SER A 65 -6.310 43.938 -3.217 1.00 0.00 H new ATOM 0 HA SER A 65 -6.572 44.177 -0.421 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.469 41.820 -1.973 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.859 41.813 -0.265 1.00 0.00 H new ATOM 0 HG SER A 65 -7.625 42.015 -2.501 1.00 0.00 H new ATOM 1044 N THR A 66 -4.281 44.171 0.617 1.00 0.00 N ATOM 1045 CA THR A 66 -2.936 44.315 1.231 1.00 0.00 C ATOM 1046 C THR A 66 -2.325 43.005 1.771 1.00 0.00 C ATOM 1047 O THR A 66 -2.816 42.426 2.721 1.00 0.00 O ATOM 1048 CB THR A 66 -3.036 45.342 2.344 1.00 0.00 C ATOM 1049 OG1 THR A 66 -3.628 46.474 1.733 1.00 0.00 O ATOM 1050 CG2 THR A 66 -1.559 45.731 2.686 1.00 0.00 C ATOM 0 H THR A 66 -5.058 44.153 1.278 1.00 0.00 H new ATOM 0 HA THR A 66 -2.257 44.633 0.440 1.00 0.00 H new ATOM 0 HB THR A 66 -3.584 44.998 3.221 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.729 47.189 2.396 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.554 46.472 3.485 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.015 44.844 3.010 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.078 46.148 1.801 1.00 0.00 H new ATOM 1058 N LEU A 67 -1.185 42.604 1.198 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.426 41.440 1.688 1.00 0.00 C ATOM 1060 C LEU A 67 0.660 42.029 2.601 1.00 0.00 C ATOM 1061 O LEU A 67 0.836 43.249 2.614 1.00 0.00 O ATOM 1062 CB LEU A 67 0.225 40.678 0.569 1.00 0.00 C ATOM 1063 CG LEU A 67 -0.815 39.762 -0.179 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.116 40.352 -0.788 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -0.039 38.883 -1.154 1.00 0.00 C ATOM 0 H LEU A 67 -0.764 43.067 0.393 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.085 40.737 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.672 41.377 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.034 40.065 0.966 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.294 39.205 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.692 39.555 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.710 40.814 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.860 41.103 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.732 38.234 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.494 39.513 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.677 38.273 -0.603 1.00 0.00 H new ATOM 1077 N HIS A 68 1.360 41.206 3.434 1.00 0.00 N ATOM 1078 CA HIS A 68 2.479 41.642 4.322 1.00 0.00 C ATOM 1079 C HIS A 68 3.716 40.694 4.111 1.00 0.00 C ATOM 1080 O HIS A 68 3.554 39.492 3.867 1.00 0.00 O ATOM 1081 CB HIS A 68 2.048 41.650 5.774 1.00 0.00 C ATOM 1082 CG HIS A 68 1.283 42.911 6.202 1.00 0.00 C ATOM 1083 ND1 HIS A 68 -0.053 43.198 5.888 1.00 0.00 N ATOM 1084 CD2 HIS A 68 1.722 43.948 6.982 1.00 0.00 C ATOM 1085 CE1 HIS A 68 -0.362 44.353 6.534 1.00 0.00 C ATOM 1086 NE2 HIS A 68 0.705 44.837 7.187 1.00 0.00 N ATOM 0 H HIS A 68 1.160 40.209 3.508 1.00 0.00 H new ATOM 0 HA HIS A 68 2.762 42.661 4.059 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.420 40.779 5.959 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.932 41.545 6.403 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.723 44.048 7.376 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.336 44.819 6.523 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.749 45.699 7.730 1.00 0.00 H new ATOM 1094 N LEU A 69 4.927 41.207 4.184 1.00 0.00 N ATOM 1095 CA LEU A 69 6.096 40.412 3.824 1.00 0.00 C ATOM 1096 C LEU A 69 7.039 40.379 4.990 1.00 0.00 C ATOM 1097 O LEU A 69 7.334 41.373 5.664 1.00 0.00 O ATOM 1098 CB LEU A 69 6.813 41.122 2.621 1.00 0.00 C ATOM 1099 CG LEU A 69 8.114 40.466 2.075 1.00 0.00 C ATOM 1100 CD1 LEU A 69 7.851 38.990 1.632 1.00 0.00 C ATOM 1101 CD2 LEU A 69 8.695 41.329 0.824 1.00 0.00 C ATOM 0 H LEU A 69 5.133 42.160 4.485 1.00 0.00 H new ATOM 0 HA LEU A 69 5.801 39.398 3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.101 41.193 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.052 42.141 2.925 1.00 0.00 H new ATOM 0 HG LEU A 69 8.853 40.457 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.775 38.553 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.499 38.411 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.095 38.975 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.605 40.860 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.951 41.362 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.918 42.343 1.154 1.00 0.00 H new ATOM 1113 N VAL A 70 7.527 39.199 5.260 1.00 0.00 N ATOM 1114 CA VAL A 70 8.425 38.998 6.351 1.00 0.00 C ATOM 1115 C VAL A 70 9.634 38.418 5.652 1.00 0.00 C ATOM 1116 O VAL A 70 9.521 37.363 5.007 1.00 0.00 O ATOM 1117 CB VAL A 70 7.821 38.041 7.428 1.00 0.00 C ATOM 1118 CG1 VAL A 70 8.775 38.040 8.656 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.431 38.576 7.832 1.00 0.00 C ATOM 0 H VAL A 70 7.311 38.356 4.728 1.00 0.00 H new ATOM 0 HA VAL A 70 8.653 39.901 6.918 1.00 0.00 H new ATOM 0 HB VAL A 70 7.716 37.026 7.045 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.377 37.379 9.425 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.761 37.689 8.351 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.857 39.051 9.054 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.993 37.920 8.584 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.533 39.581 8.242 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.784 38.606 6.955 1.00 0.00 H new