USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 467 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 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 29 TYR OH : rot 180:sc= -1.33 USER MOD Single : A 1 THR N :NH3+ 173:sc= 0.767 (180deg=0.732) USER MOD Single : A 1 THR OG1 : rot 165:sc= 0.279 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 47:sc= -5.06! USER MOD Single : A 4 LYS NZ :NH3+ 145:sc= -0.0406 (180deg=-0.854) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= 0.118 F(o=-0.96,f=0.12) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= -0.0799 (180deg=-0.354) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.4) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 120:sc= -4.31! USER MOD Single : A 44 THR OG1 : rot -55:sc=-0.00803 USER MOD Single : A 45 TYR OH : rot 180:sc= -1.14 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -62:sc= 1.14 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 172:sc= -0.997 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 4.952 -12.828 -1.001 1.00 0.00 N ATOM 2 CA THR A 1 4.055 -11.945 -1.792 1.00 0.00 C ATOM 3 C THR A 1 4.609 -10.523 -1.871 1.00 0.00 C ATOM 4 O THR A 1 4.638 -9.800 -0.874 1.00 0.00 O ATOM 5 CB THR A 1 2.668 -11.937 -1.136 1.00 0.00 C ATOM 6 OG1 THR A 1 2.732 -12.455 0.182 1.00 0.00 O ATOM 7 CG2 THR A 1 1.643 -12.747 -1.898 1.00 0.00 C ATOM 0 H1 THR A 1 4.496 -13.753 -0.864 1.00 0.00 H new ATOM 0 H2 THR A 1 5.850 -12.957 -1.510 1.00 0.00 H new ATOM 0 H3 THR A 1 5.139 -12.393 -0.075 1.00 0.00 H new ATOM 0 HA THR A 1 3.986 -12.328 -2.810 1.00 0.00 H new ATOM 0 HB THR A 1 2.355 -10.893 -1.134 1.00 0.00 H new ATOM 0 HG1 THR A 1 1.913 -12.221 0.666 1.00 0.00 H new ATOM 0 HG21 THR A 1 0.685 -12.700 -1.381 1.00 0.00 H new ATOM 0 HG22 THR A 1 1.533 -12.341 -2.904 1.00 0.00 H new ATOM 0 HG23 THR A 1 1.972 -13.785 -1.959 1.00 0.00 H new ATOM 17 N THR A 2 5.048 -10.131 -3.062 1.00 0.00 N ATOM 18 CA THR A 2 5.604 -8.799 -3.273 1.00 0.00 C ATOM 19 C THR A 2 4.519 -7.731 -3.168 1.00 0.00 C ATOM 20 O THR A 2 3.534 -7.757 -3.905 1.00 0.00 O ATOM 21 CB THR A 2 6.288 -8.717 -4.638 1.00 0.00 C ATOM 22 OG1 THR A 2 6.969 -7.486 -4.786 1.00 0.00 O ATOM 23 CG2 THR A 2 5.325 -8.850 -5.802 1.00 0.00 C ATOM 0 H THR A 2 5.030 -10.717 -3.897 1.00 0.00 H new ATOM 0 HA THR A 2 6.344 -8.616 -2.494 1.00 0.00 H new ATOM 0 HB THR A 2 6.981 -9.558 -4.662 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.401 -7.455 -5.665 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.876 -8.783 -6.740 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.819 -9.814 -5.747 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.587 -8.049 -5.757 1.00 0.00 H new ATOM 31 N TYR A 3 4.711 -6.793 -2.247 1.00 0.00 N ATOM 32 CA TYR A 3 3.756 -5.712 -2.042 1.00 0.00 C ATOM 33 C TYR A 3 4.275 -4.412 -2.658 1.00 0.00 C ATOM 34 O TYR A 3 5.451 -4.082 -2.520 1.00 0.00 O ATOM 35 CB TYR A 3 3.487 -5.523 -0.548 1.00 0.00 C ATOM 36 CG TYR A 3 2.221 -6.201 -0.085 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.982 -5.600 -0.263 1.00 0.00 C ATOM 38 CD2 TYR A 3 2.260 -7.452 0.515 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.180 -6.224 0.145 1.00 0.00 C ATOM 40 CE2 TYR A 3 1.104 -8.085 0.922 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.115 -7.467 0.734 1.00 0.00 C ATOM 42 OH TYR A 3 -1.268 -8.097 1.135 1.00 0.00 O ATOM 0 H TYR A 3 5.522 -6.760 -1.629 1.00 0.00 H new ATOM 0 HA TYR A 3 2.821 -5.976 -2.536 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.331 -5.915 0.020 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.423 -4.457 -0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.926 -4.627 -0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.212 -7.938 0.666 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.135 -5.740 0.003 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.153 -9.059 1.385 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.934 -8.047 0.418 1.00 0.00 H new ATOM 52 N LYS A 4 3.393 -3.691 -3.345 1.00 0.00 N ATOM 53 CA LYS A 4 3.778 -2.438 -3.989 1.00 0.00 C ATOM 54 C LYS A 4 2.999 -1.252 -3.424 1.00 0.00 C ATOM 55 O LYS A 4 1.803 -1.351 -3.150 1.00 0.00 O ATOM 56 CB LYS A 4 3.552 -2.531 -5.499 1.00 0.00 C ATOM 57 CG LYS A 4 4.084 -3.817 -6.115 1.00 0.00 C ATOM 58 CD LYS A 4 3.028 -4.512 -6.959 1.00 0.00 C ATOM 59 CE LYS A 4 3.641 -5.188 -8.175 1.00 0.00 C ATOM 60 NZ LYS A 4 4.875 -5.946 -7.826 1.00 0.00 N ATOM 0 H LYS A 4 2.414 -3.950 -3.470 1.00 0.00 H new ATOM 0 HA LYS A 4 4.836 -2.275 -3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.484 -2.454 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.031 -1.680 -5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.954 -3.593 -6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.419 -4.489 -5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.507 -5.254 -6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.283 -3.785 -7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.912 -5.866 -8.620 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.878 -4.436 -8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.934 -6.802 -8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.709 -5.349 -7.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.844 -6.217 -6.822 1.00 0.00 H new ATOM 74 N LEU A 5 3.688 -0.125 -3.261 1.00 0.00 N ATOM 75 CA LEU A 5 3.067 1.087 -2.738 1.00 0.00 C ATOM 76 C LEU A 5 3.537 2.313 -3.515 1.00 0.00 C ATOM 77 O LEU A 5 4.710 2.420 -3.873 1.00 0.00 O ATOM 78 CB LEU A 5 3.388 1.262 -1.251 1.00 0.00 C ATOM 79 CG LEU A 5 2.882 2.563 -0.625 1.00 0.00 C ATOM 80 CD1 LEU A 5 1.389 2.734 -0.874 1.00 0.00 C ATOM 81 CD2 LEU A 5 3.183 2.583 0.868 1.00 0.00 C ATOM 0 H LEU A 5 4.678 -0.027 -3.484 1.00 0.00 H new ATOM 0 HA LEU A 5 1.988 0.987 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.961 0.423 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.469 1.211 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 5 3.402 3.398 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.049 3.665 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.200 2.762 -1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.848 1.897 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.817 3.514 1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.688 1.740 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.259 2.509 1.023 1.00 0.00 H new ATOM 93 N ILE A 6 2.615 3.236 -3.767 1.00 0.00 N ATOM 94 CA ILE A 6 2.937 4.456 -4.499 1.00 0.00 C ATOM 95 C ILE A 6 2.333 5.679 -3.817 1.00 0.00 C ATOM 96 O ILE A 6 1.114 5.769 -3.653 1.00 0.00 O ATOM 97 CB ILE A 6 2.432 4.392 -5.953 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.999 3.857 -5.999 1.00 0.00 C ATOM 99 CG2 ILE A 6 3.354 3.522 -6.797 1.00 0.00 C ATOM 100 CD1 ILE A 6 0.385 3.893 -7.380 1.00 0.00 C ATOM 0 H ILE A 6 1.640 3.163 -3.476 1.00 0.00 H new ATOM 0 HA ILE A 6 4.023 4.543 -4.505 1.00 0.00 H new ATOM 0 HB ILE A 6 2.436 5.401 -6.366 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.991 2.830 -5.633 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.379 4.442 -5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.984 3.487 -7.822 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.360 3.943 -6.789 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.380 2.513 -6.386 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.630 3.499 -7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.360 4.921 -7.741 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.982 3.284 -8.059 1.00 0.00 H new ATOM 112 N LEU A 7 3.186 6.616 -3.418 1.00 0.00 N ATOM 113 CA LEU A 7 2.728 7.828 -2.755 1.00 0.00 C ATOM 114 C LEU A 7 2.902 9.045 -3.657 1.00 0.00 C ATOM 115 O LEU A 7 3.953 9.233 -4.269 1.00 0.00 O ATOM 116 CB LEU A 7 3.480 8.048 -1.441 1.00 0.00 C ATOM 117 CG LEU A 7 3.214 7.000 -0.354 1.00 0.00 C ATOM 118 CD1 LEU A 7 4.380 6.024 -0.253 1.00 0.00 C ATOM 119 CD2 LEU A 7 2.962 7.673 0.987 1.00 0.00 C ATOM 0 H LEU A 7 4.197 6.558 -3.543 1.00 0.00 H new ATOM 0 HA LEU A 7 1.667 7.702 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.549 8.067 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.215 9.030 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 7 2.321 6.439 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.172 5.288 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.513 5.516 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.290 6.569 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.775 6.913 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.836 8.261 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.094 8.328 0.908 1.00 0.00 H new ATOM 131 N ASN A 8 1.864 9.871 -3.727 1.00 0.00 N ATOM 132 CA ASN A 8 1.902 11.075 -4.549 1.00 0.00 C ATOM 133 C ASN A 8 1.899 12.325 -3.674 1.00 0.00 C ATOM 134 O ASN A 8 0.843 12.804 -3.258 1.00 0.00 O ATOM 135 CB ASN A 8 0.703 11.104 -5.502 1.00 0.00 C ATOM 136 CG ASN A 8 0.946 10.289 -6.758 1.00 0.00 C ATOM 137 OD1 ASN A 8 1.227 10.840 -7.823 1.00 0.00 O ATOM 138 ND2 ASN A 8 0.840 8.972 -6.642 1.00 0.00 N ATOM 0 H ASN A 8 0.987 9.729 -3.225 1.00 0.00 H new ATOM 0 HA ASN A 8 2.822 11.061 -5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.177 10.719 -4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.486 12.136 -5.778 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.993 8.375 -7.454 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.605 8.557 -5.740 1.00 0.00 H new ATOM 145 N LEU A 9 3.090 12.850 -3.397 1.00 0.00 N ATOM 146 CA LEU A 9 3.224 14.042 -2.569 1.00 0.00 C ATOM 147 C LEU A 9 2.719 15.274 -3.310 1.00 0.00 C ATOM 148 O LEU A 9 2.306 15.193 -4.468 1.00 0.00 O ATOM 149 CB LEU A 9 4.676 14.232 -2.144 1.00 0.00 C ATOM 150 CG LEU A 9 5.078 13.509 -0.855 1.00 0.00 C ATOM 151 CD1 LEU A 9 6.561 13.705 -0.572 1.00 0.00 C ATOM 152 CD2 LEU A 9 4.245 14.013 0.311 1.00 0.00 C ATOM 0 H LEU A 9 3.974 12.468 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 9 2.614 13.909 -1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.322 13.888 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.864 15.298 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 9 4.891 12.443 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.828 13.184 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.146 13.303 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.773 14.768 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.540 13.491 1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.406 15.084 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.190 13.826 0.112 1.00 0.00 H new ATOM 164 N LYS A 10 2.757 16.420 -2.637 1.00 0.00 N ATOM 165 CA LYS A 10 2.300 17.664 -3.226 1.00 0.00 C ATOM 166 C LYS A 10 3.384 18.291 -4.113 1.00 0.00 C ATOM 167 O LYS A 10 3.080 19.109 -4.984 1.00 0.00 O ATOM 168 CB LYS A 10 1.891 18.653 -2.132 1.00 0.00 C ATOM 169 CG LYS A 10 0.446 19.105 -2.239 1.00 0.00 C ATOM 170 CD LYS A 10 -0.041 19.729 -0.939 1.00 0.00 C ATOM 171 CE LYS A 10 -1.415 20.378 -1.104 1.00 0.00 C ATOM 172 NZ LYS A 10 -1.616 21.497 -0.147 1.00 0.00 N ATOM 0 H LYS A 10 3.101 16.508 -1.681 1.00 0.00 H new ATOM 0 HA LYS A 10 1.435 17.438 -3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.048 18.191 -1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.542 19.526 -2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.349 19.827 -3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.185 18.253 -2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.090 18.964 -0.164 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.677 20.477 -0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.522 20.748 -2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.192 19.628 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.559 21.911 -0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.539 21.139 0.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.890 22.225 -0.307 1.00 0.00 H new ATOM 186 N GLN A 11 4.629 17.913 -3.881 1.00 0.00 N ATOM 187 CA GLN A 11 5.740 18.454 -4.664 1.00 0.00 C ATOM 188 C GLN A 11 6.677 17.339 -5.126 1.00 0.00 C ATOM 189 O GLN A 11 7.865 17.582 -5.356 1.00 0.00 O ATOM 190 CB GLN A 11 6.519 19.480 -3.839 1.00 0.00 C ATOM 191 CG GLN A 11 6.915 18.982 -2.459 1.00 0.00 C ATOM 192 CD GLN A 11 8.403 18.715 -2.339 1.00 0.00 C ATOM 193 OE1 GLN A 11 8.931 18.848 -1.128 1.00 0.00 O flip ATOM 194 NE2 GLN A 11 9.068 18.389 -3.322 1.00 0.00 N flip ATOM 0 H GLN A 11 4.901 17.240 -3.164 1.00 0.00 H new ATOM 0 HA GLN A 11 5.326 18.943 -5.545 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.419 19.764 -4.385 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.914 20.380 -3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.621 19.720 -1.713 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.366 18.067 -2.236 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.620 18.299 -4.234 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.067 18.209 -3.225 1.00 0.00 H new ATOM 203 N ALA A 12 6.146 16.129 -5.270 1.00 0.00 N ATOM 204 CA ALA A 12 6.952 14.998 -5.712 1.00 0.00 C ATOM 205 C ALA A 12 6.130 13.715 -5.755 1.00 0.00 C ATOM 206 O ALA A 12 5.051 13.628 -5.155 1.00 0.00 O ATOM 207 CB ALA A 12 8.155 14.811 -4.801 1.00 0.00 C ATOM 0 H ALA A 12 5.167 15.908 -5.088 1.00 0.00 H new ATOM 0 HA ALA A 12 7.300 15.216 -6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.745 13.962 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.769 15.711 -4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.815 14.625 -3.782 1.00 0.00 H new ATOM 213 N LYS A 13 6.644 12.713 -6.462 1.00 0.00 N ATOM 214 CA LYS A 13 5.963 11.424 -6.583 1.00 0.00 C ATOM 215 C LYS A 13 6.920 10.282 -6.263 1.00 0.00 C ATOM 216 O LYS A 13 7.856 10.014 -7.018 1.00 0.00 O ATOM 217 CB LYS A 13 5.402 11.258 -7.996 1.00 0.00 C ATOM 218 CG LYS A 13 4.625 12.465 -8.493 1.00 0.00 C ATOM 219 CD LYS A 13 4.687 12.579 -10.005 1.00 0.00 C ATOM 220 CE LYS A 13 3.631 11.724 -10.678 1.00 0.00 C ATOM 221 NZ LYS A 13 2.443 12.527 -11.086 1.00 0.00 N ATOM 0 H LYS A 13 7.532 12.767 -6.962 1.00 0.00 H new ATOM 0 HA LYS A 13 5.140 11.398 -5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.225 11.060 -8.683 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.751 10.384 -8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.585 12.387 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.029 13.371 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.552 13.620 -10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.675 12.277 -10.352 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.061 11.240 -11.555 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.318 10.932 -9.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.744 11.906 -11.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.017 12.969 -10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.737 13.267 -11.755 1.00 0.00 H new ATOM 235 N GLU A 14 6.695 9.623 -5.138 1.00 0.00 N ATOM 236 CA GLU A 14 7.543 8.511 -4.717 1.00 0.00 C ATOM 237 C GLU A 14 6.822 7.178 -4.875 1.00 0.00 C ATOM 238 O GLU A 14 5.630 7.063 -4.587 1.00 0.00 O ATOM 239 CB GLU A 14 7.976 8.702 -3.262 1.00 0.00 C ATOM 240 CG GLU A 14 9.002 9.805 -3.072 1.00 0.00 C ATOM 241 CD GLU A 14 10.251 9.590 -3.905 1.00 0.00 C ATOM 242 OE1 GLU A 14 11.074 8.728 -3.526 1.00 0.00 O ATOM 243 OE2 GLU A 14 10.407 10.282 -4.933 1.00 0.00 O ATOM 0 H GLU A 14 5.932 9.837 -4.496 1.00 0.00 H new ATOM 0 HA GLU A 14 8.425 8.498 -5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.098 8.926 -2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.389 7.765 -2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.554 10.763 -3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.278 9.862 -2.019 1.00 0.00 H new ATOM 250 N GLU A 15 7.558 6.169 -5.328 1.00 0.00 N ATOM 251 CA GLU A 15 7.000 4.837 -5.522 1.00 0.00 C ATOM 252 C GLU A 15 8.059 3.769 -5.265 1.00 0.00 C ATOM 253 O GLU A 15 9.219 3.930 -5.640 1.00 0.00 O ATOM 254 CB GLU A 15 6.449 4.693 -6.942 1.00 0.00 C ATOM 255 CG GLU A 15 7.505 4.853 -8.024 1.00 0.00 C ATOM 256 CD GLU A 15 7.772 3.564 -8.775 1.00 0.00 C ATOM 257 OE1 GLU A 15 6.801 2.944 -9.260 1.00 0.00 O ATOM 258 OE2 GLU A 15 8.953 3.168 -8.878 1.00 0.00 O ATOM 0 H GLU A 15 8.546 6.250 -5.568 1.00 0.00 H new ATOM 0 HA GLU A 15 6.186 4.701 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.982 3.713 -7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.667 5.437 -7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.184 5.620 -8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.433 5.204 -7.572 1.00 0.00 H new ATOM 265 N ALA A 16 7.653 2.678 -4.619 1.00 0.00 N ATOM 266 CA ALA A 16 8.575 1.589 -4.314 1.00 0.00 C ATOM 267 C ALA A 16 7.837 0.265 -4.158 1.00 0.00 C ATOM 268 O ALA A 16 6.606 0.224 -4.144 1.00 0.00 O ATOM 269 CB ALA A 16 9.364 1.909 -3.053 1.00 0.00 C ATOM 0 H ALA A 16 6.697 2.526 -4.299 1.00 0.00 H new ATOM 0 HA ALA A 16 9.267 1.487 -5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.049 1.090 -2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.932 2.827 -3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.677 2.040 -2.217 1.00 0.00 H new ATOM 275 N ILE A 17 8.601 -0.817 -4.041 1.00 0.00 N ATOM 276 CA ILE A 17 8.026 -2.148 -3.884 1.00 0.00 C ATOM 277 C ILE A 17 8.663 -2.883 -2.712 1.00 0.00 C ATOM 278 O ILE A 17 9.890 -2.958 -2.605 1.00 0.00 O ATOM 279 CB ILE A 17 8.206 -2.992 -5.164 1.00 0.00 C ATOM 280 CG1 ILE A 17 7.805 -2.183 -6.400 1.00 0.00 C ATOM 281 CG2 ILE A 17 7.395 -4.277 -5.073 1.00 0.00 C ATOM 282 CD1 ILE A 17 6.413 -1.594 -6.313 1.00 0.00 C ATOM 0 H ILE A 17 9.621 -0.798 -4.052 1.00 0.00 H new ATOM 0 HA ILE A 17 6.961 -2.014 -3.692 1.00 0.00 H new ATOM 0 HB ILE A 17 9.259 -3.259 -5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.524 -1.376 -6.545 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.865 -2.825 -7.279 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.533 -4.860 -5.984 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.731 -4.859 -4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.339 -4.033 -4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.197 -1.034 -7.223 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.685 -2.397 -6.199 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.354 -0.926 -5.454 1.00 0.00 H new ATOM 294 N LYS A 18 7.827 -3.422 -1.830 1.00 0.00 N ATOM 295 CA LYS A 18 8.308 -4.151 -0.658 1.00 0.00 C ATOM 296 C LYS A 18 7.677 -5.538 -0.582 1.00 0.00 C ATOM 297 O LYS A 18 6.470 -5.690 -0.756 1.00 0.00 O ATOM 298 CB LYS A 18 8.000 -3.367 0.621 1.00 0.00 C ATOM 299 CG LYS A 18 7.956 -1.860 0.425 1.00 0.00 C ATOM 300 CD LYS A 18 9.336 -1.287 0.145 1.00 0.00 C ATOM 301 CE LYS A 18 10.303 -1.569 1.283 1.00 0.00 C ATOM 302 NZ LYS A 18 11.441 -2.426 0.848 1.00 0.00 N ATOM 0 H LYS A 18 6.811 -3.368 -1.904 1.00 0.00 H new ATOM 0 HA LYS A 18 9.388 -4.267 -0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.041 -3.700 1.017 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.754 -3.604 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.288 -1.620 -0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.541 -1.389 1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.727 -1.714 -0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.259 -0.211 -0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.687 -0.627 1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.771 -2.059 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.077 -2.594 1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.077 -3.335 0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.965 -1.948 0.088 1.00 0.00 H new ATOM 316 N GLU A 19 8.503 -6.546 -0.317 1.00 0.00 N ATOM 317 CA GLU A 19 8.024 -7.921 -0.218 1.00 0.00 C ATOM 318 C GLU A 19 7.557 -8.243 1.198 1.00 0.00 C ATOM 319 O GLU A 19 8.241 -7.935 2.174 1.00 0.00 O ATOM 320 CB GLU A 19 9.127 -8.897 -0.636 1.00 0.00 C ATOM 321 CG GLU A 19 9.320 -8.987 -2.141 1.00 0.00 C ATOM 322 CD GLU A 19 10.210 -10.147 -2.547 1.00 0.00 C ATOM 323 OE1 GLU A 19 9.807 -11.307 -2.330 1.00 0.00 O ATOM 324 OE2 GLU A 19 11.312 -9.892 -3.078 1.00 0.00 O ATOM 0 H GLU A 19 9.506 -6.437 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 19 7.173 -8.028 -0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.066 -8.590 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.890 -9.888 -0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.348 -9.094 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.755 -8.056 -2.504 1.00 0.00 H new ATOM 331 N LEU A 20 6.389 -8.870 1.300 1.00 0.00 N ATOM 332 CA LEU A 20 5.824 -9.243 2.593 1.00 0.00 C ATOM 333 C LEU A 20 5.125 -10.595 2.503 1.00 0.00 C ATOM 334 O LEU A 20 5.207 -11.277 1.480 1.00 0.00 O ATOM 335 CB LEU A 20 4.846 -8.170 3.072 1.00 0.00 C ATOM 336 CG LEU A 20 5.464 -6.789 3.306 1.00 0.00 C ATOM 337 CD1 LEU A 20 4.698 -5.716 2.544 1.00 0.00 C ATOM 338 CD2 LEU A 20 5.501 -6.463 4.791 1.00 0.00 C ATOM 0 H LEU A 20 5.813 -9.131 0.500 1.00 0.00 H new ATOM 0 HA LEU A 20 6.637 -9.324 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.047 -8.074 2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.386 -8.508 4.001 1.00 0.00 H new ATOM 0 HG LEU A 20 6.487 -6.809 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.156 -4.744 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.727 -5.937 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.662 -5.698 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.944 -5.478 4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.487 -6.468 5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.099 -7.210 5.313 1.00 0.00 H new ATOM 350 N VAL A 21 4.440 -10.988 3.573 1.00 0.00 N ATOM 351 CA VAL A 21 3.734 -12.264 3.602 1.00 0.00 C ATOM 352 C VAL A 21 2.225 -12.077 3.464 1.00 0.00 C ATOM 353 O VAL A 21 1.575 -12.767 2.679 1.00 0.00 O ATOM 354 CB VAL A 21 4.028 -13.046 4.898 1.00 0.00 C ATOM 355 CG1 VAL A 21 5.504 -13.400 4.987 1.00 0.00 C ATOM 356 CG2 VAL A 21 3.587 -12.253 6.120 1.00 0.00 C ATOM 0 H VAL A 21 4.359 -10.441 4.430 1.00 0.00 H new ATOM 0 HA VAL A 21 4.100 -12.836 2.750 1.00 0.00 H new ATOM 0 HB VAL A 21 3.456 -13.974 4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.691 -13.951 5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.782 -14.016 4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.098 -12.486 4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.804 -12.824 7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.125 -11.305 6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.516 -12.061 6.062 1.00 0.00 H new ATOM 366 N ASP A 22 1.676 -11.139 4.227 1.00 0.00 N ATOM 367 CA ASP A 22 0.244 -10.865 4.186 1.00 0.00 C ATOM 368 C ASP A 22 -0.015 -9.362 4.127 1.00 0.00 C ATOM 369 O ASP A 22 0.900 -8.559 4.307 1.00 0.00 O ATOM 370 CB ASP A 22 -0.449 -11.466 5.408 1.00 0.00 C ATOM 371 CG ASP A 22 -1.920 -11.740 5.163 1.00 0.00 C ATOM 372 OD1 ASP A 22 -2.228 -12.669 4.387 1.00 0.00 O ATOM 373 OD2 ASP A 22 -2.761 -11.025 5.745 1.00 0.00 O ATOM 0 H ASP A 22 2.199 -10.556 4.880 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.165 -11.325 3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.050 -12.395 5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.345 -10.785 6.253 1.00 0.00 H new ATOM 378 N ALA A 23 -1.265 -8.988 3.873 1.00 0.00 N ATOM 379 CA ALA A 23 -1.630 -7.582 3.793 1.00 0.00 C ATOM 380 C ALA A 23 -1.658 -6.940 5.171 1.00 0.00 C ATOM 381 O ALA A 23 -1.144 -5.838 5.356 1.00 0.00 O ATOM 382 CB ALA A 23 -2.973 -7.412 3.102 1.00 0.00 C ATOM 0 H ALA A 23 -2.037 -9.637 3.720 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.868 -7.076 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.226 -6.353 3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.917 -7.818 2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.741 -7.943 3.664 1.00 0.00 H new ATOM 388 N ALA A 24 -2.248 -7.634 6.142 1.00 0.00 N ATOM 389 CA ALA A 24 -2.315 -7.119 7.506 1.00 0.00 C ATOM 390 C ALA A 24 -0.945 -6.614 7.933 1.00 0.00 C ATOM 391 O ALA A 24 -0.797 -5.480 8.402 1.00 0.00 O ATOM 392 CB ALA A 24 -2.813 -8.195 8.459 1.00 0.00 C ATOM 0 H ALA A 24 -2.683 -8.547 6.011 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.021 -6.289 7.537 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.856 -7.793 9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.808 -8.519 8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.132 -9.046 8.435 1.00 0.00 H new ATOM 398 N THR A 25 0.061 -7.454 7.738 1.00 0.00 N ATOM 399 CA THR A 25 1.426 -7.092 8.072 1.00 0.00 C ATOM 400 C THR A 25 1.924 -6.040 7.094 1.00 0.00 C ATOM 401 O THR A 25 2.576 -5.072 7.486 1.00 0.00 O ATOM 402 CB THR A 25 2.339 -8.326 8.046 1.00 0.00 C ATOM 403 OG1 THR A 25 2.250 -9.035 9.268 1.00 0.00 O ATOM 404 CG2 THR A 25 3.800 -8.002 7.811 1.00 0.00 C ATOM 0 H THR A 25 -0.045 -8.391 7.350 1.00 0.00 H new ATOM 0 HA THR A 25 1.447 -6.682 9.082 1.00 0.00 H new ATOM 0 HB THR A 25 1.984 -8.924 7.207 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.836 -9.819 9.235 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.381 -8.924 7.806 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.911 -7.498 6.851 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.161 -7.350 8.607 1.00 0.00 H new ATOM 412 N ALA A 26 1.593 -6.221 5.817 1.00 0.00 N ATOM 413 CA ALA A 26 1.994 -5.267 4.797 1.00 0.00 C ATOM 414 C ALA A 26 1.589 -3.870 5.235 1.00 0.00 C ATOM 415 O ALA A 26 2.410 -2.960 5.308 1.00 0.00 O ATOM 416 CB ALA A 26 1.359 -5.618 3.457 1.00 0.00 C ATOM 0 H ALA A 26 1.053 -7.014 5.470 1.00 0.00 H new ATOM 0 HA ALA A 26 3.076 -5.304 4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.671 -4.893 2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.678 -6.615 3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.273 -5.598 3.552 1.00 0.00 H new ATOM 422 N GLU A 27 0.311 -3.732 5.561 1.00 0.00 N ATOM 423 CA GLU A 27 -0.240 -2.475 6.034 1.00 0.00 C ATOM 424 C GLU A 27 0.596 -1.928 7.182 1.00 0.00 C ATOM 425 O GLU A 27 0.769 -0.721 7.315 1.00 0.00 O ATOM 426 CB GLU A 27 -1.676 -2.692 6.508 1.00 0.00 C ATOM 427 CG GLU A 27 -2.670 -2.880 5.372 1.00 0.00 C ATOM 428 CD GLU A 27 -4.058 -3.238 5.866 1.00 0.00 C ATOM 429 OE1 GLU A 27 -4.542 -2.572 6.807 1.00 0.00 O ATOM 430 OE2 GLU A 27 -4.658 -4.184 5.318 1.00 0.00 O ATOM 0 H GLU A 27 -0.370 -4.489 5.504 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.228 -1.756 5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.707 -3.568 7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.984 -1.838 7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.723 -1.963 4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.311 -3.665 4.706 1.00 0.00 H new ATOM 437 N LYS A 28 1.118 -2.832 8.002 1.00 0.00 N ATOM 438 CA LYS A 28 1.944 -2.432 9.134 1.00 0.00 C ATOM 439 C LYS A 28 3.248 -1.825 8.636 1.00 0.00 C ATOM 440 O LYS A 28 3.620 -0.712 9.018 1.00 0.00 O ATOM 441 CB LYS A 28 2.236 -3.636 10.036 1.00 0.00 C ATOM 442 CG LYS A 28 2.064 -3.344 11.517 1.00 0.00 C ATOM 443 CD LYS A 28 0.606 -3.091 11.869 1.00 0.00 C ATOM 444 CE LYS A 28 -0.254 -4.314 11.601 1.00 0.00 C ATOM 445 NZ LYS A 28 0.273 -5.527 12.286 1.00 0.00 N ATOM 0 H LYS A 28 0.986 -3.839 7.906 1.00 0.00 H new ATOM 0 HA LYS A 28 1.402 -1.686 9.715 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.575 -4.457 9.757 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.257 -3.974 9.857 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.440 -4.184 12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.662 -2.474 11.789 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.528 -2.814 12.920 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.232 -2.248 11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.273 -4.122 11.937 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.302 -4.496 10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.446 -6.278 12.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.131 -5.855 11.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.502 -5.296 13.274 1.00 0.00 H new ATOM 459 N TYR A 29 3.930 -2.559 7.766 1.00 0.00 N ATOM 460 CA TYR A 29 5.186 -2.105 7.195 1.00 0.00 C ATOM 461 C TYR A 29 4.953 -0.932 6.249 1.00 0.00 C ATOM 462 O TYR A 29 5.478 0.162 6.453 1.00 0.00 O ATOM 463 CB TYR A 29 5.861 -3.249 6.437 1.00 0.00 C ATOM 464 CG TYR A 29 7.175 -2.855 5.801 1.00 0.00 C ATOM 465 CD1 TYR A 29 7.202 -2.032 4.683 1.00 0.00 C ATOM 466 CD2 TYR A 29 8.384 -3.300 6.318 1.00 0.00 C ATOM 467 CE1 TYR A 29 8.396 -1.663 4.096 1.00 0.00 C ATOM 468 CE2 TYR A 29 9.584 -2.936 5.738 1.00 0.00 C ATOM 469 CZ TYR A 29 9.583 -2.118 4.629 1.00 0.00 C ATOM 470 OH TYR A 29 10.778 -1.750 4.047 1.00 0.00 O ATOM 0 H TYR A 29 3.629 -3.478 7.440 1.00 0.00 H new ATOM 0 HA TYR A 29 5.834 -1.777 8.008 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.032 -4.078 7.123 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.185 -3.611 5.662 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.273 -1.674 4.265 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.387 -3.941 7.187 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.400 -1.023 3.226 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.517 -3.290 6.151 1.00 0.00 H new ATOM 0 HH TYR A 29 11.521 -2.153 4.543 1.00 0.00 H new ATOM 480 N PHE A 30 4.177 -1.183 5.200 1.00 0.00 N ATOM 481 CA PHE A 30 3.874 -0.171 4.197 1.00 0.00 C ATOM 482 C PHE A 30 3.430 1.145 4.836 1.00 0.00 C ATOM 483 O PHE A 30 3.930 2.212 4.474 1.00 0.00 O ATOM 484 CB PHE A 30 2.800 -0.690 3.229 1.00 0.00 C ATOM 485 CG PHE A 30 3.312 -1.019 1.847 1.00 0.00 C ATOM 486 CD1 PHE A 30 4.519 -0.508 1.384 1.00 0.00 C ATOM 487 CD2 PHE A 30 2.580 -1.847 1.007 1.00 0.00 C ATOM 488 CE1 PHE A 30 4.981 -0.819 0.119 1.00 0.00 C ATOM 489 CE2 PHE A 30 3.042 -2.158 -0.257 1.00 0.00 C ATOM 490 CZ PHE A 30 4.244 -1.645 -0.699 1.00 0.00 C ATOM 0 H PHE A 30 3.743 -2.089 5.022 1.00 0.00 H new ATOM 0 HA PHE A 30 4.789 0.030 3.639 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.344 -1.583 3.656 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.013 0.059 3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.103 0.140 2.021 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.638 -2.253 1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.920 -0.414 -0.228 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.462 -2.803 -0.900 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.606 -1.891 -1.686 1.00 0.00 H new ATOM 500 N LYS A 31 2.507 1.074 5.787 1.00 0.00 N ATOM 501 CA LYS A 31 2.029 2.277 6.460 1.00 0.00 C ATOM 502 C LYS A 31 3.183 2.988 7.157 1.00 0.00 C ATOM 503 O LYS A 31 3.225 4.216 7.214 1.00 0.00 O ATOM 504 CB LYS A 31 0.938 1.936 7.476 1.00 0.00 C ATOM 505 CG LYS A 31 0.308 3.162 8.122 1.00 0.00 C ATOM 506 CD LYS A 31 0.185 2.999 9.629 1.00 0.00 C ATOM 507 CE LYS A 31 -0.324 4.272 10.286 1.00 0.00 C ATOM 508 NZ LYS A 31 -1.809 4.370 10.233 1.00 0.00 N ATOM 0 H LYS A 31 2.078 0.206 6.108 1.00 0.00 H new ATOM 0 HA LYS A 31 1.605 2.940 5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.160 1.355 6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.362 1.302 8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.911 4.042 7.899 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.679 3.334 7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.494 2.176 9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.156 2.735 10.048 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.005 4.301 11.325 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.115 5.137 9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.115 5.252 10.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.122 4.369 9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.228 3.558 10.729 1.00 0.00 H new ATOM 522 N LEU A 32 4.126 2.206 7.672 1.00 0.00 N ATOM 523 CA LEU A 32 5.292 2.762 8.349 1.00 0.00 C ATOM 524 C LEU A 32 6.211 3.461 7.352 1.00 0.00 C ATOM 525 O LEU A 32 6.963 4.368 7.714 1.00 0.00 O ATOM 526 CB LEU A 32 6.055 1.659 9.085 1.00 0.00 C ATOM 527 CG LEU A 32 6.052 1.780 10.612 1.00 0.00 C ATOM 528 CD1 LEU A 32 5.078 0.789 11.222 1.00 0.00 C ATOM 529 CD2 LEU A 32 7.453 1.570 11.166 1.00 0.00 C ATOM 0 H LEU A 32 4.106 1.187 7.634 1.00 0.00 H new ATOM 0 HA LEU A 32 4.948 3.497 9.076 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.626 0.695 8.811 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.088 1.658 8.737 1.00 0.00 H new ATOM 0 HG LEU A 32 5.727 2.786 10.879 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.089 0.889 12.307 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.074 0.990 10.849 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.371 -0.225 10.948 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.432 1.660 12.252 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.808 0.577 10.891 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.124 2.323 10.753 1.00 0.00 H new ATOM 541 N TYR A 33 6.143 3.037 6.093 1.00 0.00 N ATOM 542 CA TYR A 33 6.964 3.618 5.036 1.00 0.00 C ATOM 543 C TYR A 33 6.377 4.950 4.581 1.00 0.00 C ATOM 544 O TYR A 33 7.058 5.976 4.584 1.00 0.00 O ATOM 545 CB TYR A 33 7.057 2.643 3.857 1.00 0.00 C ATOM 546 CG TYR A 33 7.614 3.253 2.587 1.00 0.00 C ATOM 547 CD1 TYR A 33 6.828 4.071 1.782 1.00 0.00 C ATOM 548 CD2 TYR A 33 8.923 3.007 2.193 1.00 0.00 C ATOM 549 CE1 TYR A 33 7.332 4.625 0.622 1.00 0.00 C ATOM 550 CE2 TYR A 33 9.434 3.560 1.035 1.00 0.00 C ATOM 551 CZ TYR A 33 8.634 4.367 0.253 1.00 0.00 C ATOM 552 OH TYR A 33 9.142 4.919 -0.902 1.00 0.00 O ATOM 0 H TYR A 33 5.524 2.289 5.779 1.00 0.00 H new ATOM 0 HA TYR A 33 7.966 3.800 5.424 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.684 1.800 4.147 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.063 2.245 3.650 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.807 4.276 2.069 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.551 2.373 2.802 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.709 5.257 0.007 1.00 0.00 H new ATOM 0 HE2 TYR A 33 10.455 3.362 0.743 1.00 0.00 H new ATOM 0 HH TYR A 33 10.074 4.639 -1.016 1.00 0.00 H new ATOM 562 N ALA A 34 5.112 4.923 4.184 1.00 0.00 N ATOM 563 CA ALA A 34 4.429 6.121 3.717 1.00 0.00 C ATOM 564 C ALA A 34 4.392 7.203 4.794 1.00 0.00 C ATOM 565 O ALA A 34 4.223 8.383 4.493 1.00 0.00 O ATOM 566 CB ALA A 34 3.019 5.775 3.266 1.00 0.00 C ATOM 0 H ALA A 34 4.536 4.081 4.176 1.00 0.00 H new ATOM 0 HA ALA A 34 4.989 6.518 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.516 6.678 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.065 5.049 2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.464 5.349 4.102 1.00 0.00 H new ATOM 572 N ASN A 35 4.549 6.795 6.050 1.00 0.00 N ATOM 573 CA ASN A 35 4.528 7.735 7.166 1.00 0.00 C ATOM 574 C ASN A 35 5.909 8.340 7.404 1.00 0.00 C ATOM 575 O ASN A 35 6.061 9.561 7.451 1.00 0.00 O ATOM 576 CB ASN A 35 4.039 7.038 8.436 1.00 0.00 C ATOM 577 CG ASN A 35 3.363 7.996 9.396 1.00 0.00 C ATOM 578 OD1 ASN A 35 2.613 8.883 8.983 1.00 0.00 O ATOM 579 ND2 ASN A 35 3.619 7.823 10.687 1.00 0.00 N ATOM 0 H ASN A 35 4.692 5.822 6.320 1.00 0.00 H new ATOM 0 HA ASN A 35 3.841 8.542 6.912 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.341 6.245 8.167 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.884 6.563 8.935 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.189 8.437 11.379 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.246 7.076 10.987 1.00 0.00 H new ATOM 586 N ALA A 36 6.908 7.480 7.564 1.00 0.00 N ATOM 587 CA ALA A 36 8.274 7.931 7.808 1.00 0.00 C ATOM 588 C ALA A 36 8.878 8.591 6.572 1.00 0.00 C ATOM 589 O ALA A 36 9.545 9.622 6.673 1.00 0.00 O ATOM 590 CB ALA A 36 9.141 6.763 8.257 1.00 0.00 C ATOM 0 H ALA A 36 6.798 6.466 7.529 1.00 0.00 H new ATOM 0 HA ALA A 36 8.240 8.679 8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.158 7.112 8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.735 6.341 9.176 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.151 5.998 7.481 1.00 0.00 H new ATOM 596 N LYS A 37 8.648 7.992 5.410 1.00 0.00 N ATOM 597 CA LYS A 37 9.178 8.523 4.158 1.00 0.00 C ATOM 598 C LYS A 37 8.463 9.812 3.760 1.00 0.00 C ATOM 599 O LYS A 37 9.056 10.889 3.776 1.00 0.00 O ATOM 600 CB LYS A 37 9.050 7.485 3.043 1.00 0.00 C ATOM 601 CG LYS A 37 9.520 6.094 3.443 1.00 0.00 C ATOM 602 CD LYS A 37 10.960 5.843 3.016 1.00 0.00 C ATOM 603 CE LYS A 37 11.837 5.482 4.205 1.00 0.00 C ATOM 604 NZ LYS A 37 13.231 5.977 4.035 1.00 0.00 N ATOM 0 H LYS A 37 8.099 7.139 5.307 1.00 0.00 H new ATOM 0 HA LYS A 37 10.233 8.752 4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.008 7.430 2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.626 7.819 2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.435 5.978 4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.870 5.346 2.990 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.988 5.037 2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.356 6.733 2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.409 5.905 5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.849 4.400 4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.797 5.711 4.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.648 5.553 3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.222 7.013 3.939 1.00 0.00 H new ATOM 618 N THR A 38 7.189 9.691 3.400 1.00 0.00 N ATOM 619 CA THR A 38 6.397 10.848 2.995 1.00 0.00 C ATOM 620 C THR A 38 5.191 11.029 3.921 1.00 0.00 C ATOM 621 O THR A 38 5.213 10.587 5.069 1.00 0.00 O ATOM 622 CB THR A 38 5.941 10.684 1.543 1.00 0.00 C ATOM 623 OG1 THR A 38 4.910 9.715 1.449 1.00 0.00 O ATOM 624 CG2 THR A 38 7.052 10.261 0.608 1.00 0.00 C ATOM 0 H THR A 38 6.683 8.805 3.380 1.00 0.00 H new ATOM 0 HA THR A 38 7.017 11.741 3.071 1.00 0.00 H new ATOM 0 HB THR A 38 5.589 11.670 1.239 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.103 10.131 1.079 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.659 10.164 -0.404 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.843 11.011 0.619 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.457 9.303 0.934 1.00 0.00 H new ATOM 632 N VAL A 39 4.137 11.679 3.421 1.00 0.00 N ATOM 633 CA VAL A 39 2.937 11.908 4.215 1.00 0.00 C ATOM 634 C VAL A 39 1.832 10.929 3.836 1.00 0.00 C ATOM 635 O VAL A 39 1.984 10.135 2.909 1.00 0.00 O ATOM 636 CB VAL A 39 2.415 13.350 4.045 1.00 0.00 C ATOM 637 CG1 VAL A 39 3.470 14.353 4.489 1.00 0.00 C ATOM 638 CG2 VAL A 39 2.001 13.607 2.604 1.00 0.00 C ATOM 0 H VAL A 39 4.094 12.053 2.473 1.00 0.00 H new ATOM 0 HA VAL A 39 3.214 11.752 5.258 1.00 0.00 H new ATOM 0 HB VAL A 39 1.535 13.473 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.086 15.365 4.363 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.713 14.185 5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.368 14.228 3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.636 14.630 2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.860 13.464 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.210 12.912 2.323 1.00 0.00 H new ATOM 648 N GLU A 40 0.722 10.992 4.561 1.00 0.00 N ATOM 649 CA GLU A 40 -0.413 10.109 4.303 1.00 0.00 C ATOM 650 C GLU A 40 -1.706 10.905 4.155 1.00 0.00 C ATOM 651 O GLU A 40 -2.012 11.753 4.983 1.00 0.00 O ATOM 652 CB GLU A 40 -0.557 9.088 5.435 1.00 0.00 C ATOM 653 CG GLU A 40 0.535 8.033 5.444 1.00 0.00 C ATOM 654 CD GLU A 40 0.691 7.366 6.798 1.00 0.00 C ATOM 655 OE1 GLU A 40 0.349 8.006 7.816 1.00 0.00 O ATOM 656 OE2 GLU A 40 1.153 6.208 6.840 1.00 0.00 O ATOM 0 H GLU A 40 0.582 11.644 5.332 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.225 9.584 3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.551 9.613 6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.526 8.596 5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.309 7.275 4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.481 8.492 5.158 1.00 0.00 H new ATOM 663 N GLY A 41 -2.455 10.616 3.095 1.00 0.00 N ATOM 664 CA GLY A 41 -3.704 11.309 2.860 1.00 0.00 C ATOM 665 C GLY A 41 -4.823 10.373 2.439 1.00 0.00 C ATOM 666 O GLY A 41 -5.430 9.707 3.281 1.00 0.00 O ATOM 0 H GLY A 41 -2.217 9.913 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.999 11.836 3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.557 12.063 2.087 1.00 0.00 H new ATOM 670 N VAL A 42 -5.099 10.320 1.140 1.00 0.00 N ATOM 671 CA VAL A 42 -6.159 9.459 0.621 1.00 0.00 C ATOM 672 C VAL A 42 -5.618 8.090 0.253 1.00 0.00 C ATOM 673 O VAL A 42 -4.930 7.922 -0.752 1.00 0.00 O ATOM 674 CB VAL A 42 -6.849 10.078 -0.609 1.00 0.00 C ATOM 675 CG1 VAL A 42 -8.070 9.263 -0.999 1.00 0.00 C ATOM 676 CG2 VAL A 42 -7.220 11.526 -0.337 1.00 0.00 C ATOM 0 H VAL A 42 -4.606 10.860 0.429 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.896 9.356 1.418 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.152 10.061 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.546 9.714 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.766 8.244 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.776 9.245 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.707 11.948 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.901 11.574 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.319 12.096 -0.112 1.00 0.00 H new ATOM 686 N TRP A 43 -5.939 7.120 1.094 1.00 0.00 N ATOM 687 CA TRP A 43 -5.506 5.748 0.905 1.00 0.00 C ATOM 688 C TRP A 43 -6.395 5.017 -0.098 1.00 0.00 C ATOM 689 O TRP A 43 -7.603 5.246 -0.155 1.00 0.00 O ATOM 690 CB TRP A 43 -5.537 5.034 2.252 1.00 0.00 C ATOM 691 CG TRP A 43 -4.299 5.245 3.070 1.00 0.00 C ATOM 692 CD1 TRP A 43 -3.993 6.339 3.827 1.00 0.00 C ATOM 693 CD2 TRP A 43 -3.201 4.339 3.210 1.00 0.00 C ATOM 694 NE1 TRP A 43 -2.774 6.166 4.435 1.00 0.00 N ATOM 695 CE2 TRP A 43 -2.265 4.946 4.070 1.00 0.00 C ATOM 696 CE3 TRP A 43 -2.917 3.074 2.693 1.00 0.00 C ATOM 697 CZ2 TRP A 43 -1.069 4.330 4.423 1.00 0.00 C ATOM 698 CZ3 TRP A 43 -1.726 2.462 3.044 1.00 0.00 C ATOM 699 CH2 TRP A 43 -0.816 3.090 3.904 1.00 0.00 C ATOM 0 H TRP A 43 -6.508 7.264 1.928 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.492 5.750 0.504 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.401 5.382 2.819 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.675 3.966 2.085 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.618 7.213 3.932 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.321 6.836 5.057 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.614 2.582 2.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.365 4.814 5.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.495 1.484 2.648 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.103 2.585 4.162 1.00 0.00 H new ATOM 710 N THR A 44 -5.789 4.133 -0.882 1.00 0.00 N ATOM 711 CA THR A 44 -6.518 3.360 -1.881 1.00 0.00 C ATOM 712 C THR A 44 -5.770 2.075 -2.211 1.00 0.00 C ATOM 713 O THR A 44 -4.664 2.107 -2.751 1.00 0.00 O ATOM 714 CB THR A 44 -6.732 4.188 -3.153 1.00 0.00 C ATOM 715 OG1 THR A 44 -5.495 4.636 -3.677 1.00 0.00 O ATOM 716 CG2 THR A 44 -7.607 5.404 -2.934 1.00 0.00 C ATOM 0 H THR A 44 -4.790 3.933 -0.845 1.00 0.00 H new ATOM 0 HA THR A 44 -7.492 3.101 -1.467 1.00 0.00 H new ATOM 0 HB THR A 44 -7.235 3.519 -3.851 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.007 5.130 -2.986 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.718 5.946 -3.873 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.588 5.087 -2.579 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.146 6.055 -2.192 1.00 0.00 H new ATOM 724 N TYR A 45 -6.375 0.939 -1.873 1.00 0.00 N ATOM 725 CA TYR A 45 -5.764 -0.360 -2.120 1.00 0.00 C ATOM 726 C TYR A 45 -6.148 -0.904 -3.492 1.00 0.00 C ATOM 727 O TYR A 45 -7.196 -0.562 -4.038 1.00 0.00 O ATOM 728 CB TYR A 45 -6.180 -1.350 -1.033 1.00 0.00 C ATOM 729 CG TYR A 45 -5.568 -2.724 -1.190 1.00 0.00 C ATOM 730 CD1 TYR A 45 -4.241 -2.957 -0.854 1.00 0.00 C ATOM 731 CD2 TYR A 45 -6.319 -3.786 -1.675 1.00 0.00 C ATOM 732 CE1 TYR A 45 -3.678 -4.212 -0.994 1.00 0.00 C ATOM 733 CE2 TYR A 45 -5.765 -5.047 -1.817 1.00 0.00 C ATOM 734 CZ TYR A 45 -4.444 -5.252 -1.476 1.00 0.00 C ATOM 735 OH TYR A 45 -3.889 -6.501 -1.615 1.00 0.00 O ATOM 0 H TYR A 45 -7.291 0.894 -1.426 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.682 -0.231 -2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.898 -0.946 -0.060 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.266 -1.444 -1.037 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.638 -2.144 -0.477 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.352 -3.626 -1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.644 -4.377 -0.727 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.363 -5.864 -2.192 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.562 -7.121 -1.966 1.00 0.00 H new ATOM 745 N LYS A 46 -5.287 -1.754 -4.037 1.00 0.00 N ATOM 746 CA LYS A 46 -5.526 -2.358 -5.344 1.00 0.00 C ATOM 747 C LYS A 46 -5.452 -3.878 -5.252 1.00 0.00 C ATOM 748 O LYS A 46 -4.462 -4.434 -4.777 1.00 0.00 O ATOM 749 CB LYS A 46 -4.505 -1.840 -6.360 1.00 0.00 C ATOM 750 CG LYS A 46 -5.132 -1.105 -7.534 1.00 0.00 C ATOM 751 CD LYS A 46 -5.214 -1.991 -8.759 1.00 0.00 C ATOM 752 CE LYS A 46 -5.229 -1.168 -10.037 1.00 0.00 C ATOM 753 NZ LYS A 46 -6.606 -0.997 -10.572 1.00 0.00 N ATOM 0 H LYS A 46 -4.415 -2.042 -3.594 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.526 -2.080 -5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.809 -1.171 -5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.923 -2.680 -6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.131 -0.765 -7.261 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.545 -0.216 -7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.365 -2.674 -8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.114 -2.603 -8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.791 -0.189 -9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.606 -1.653 -10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.572 -0.430 -11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.015 -1.930 -10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.195 -0.511 -9.866 1.00 0.00 H new ATOM 767 N ASP A 47 -6.509 -4.547 -5.705 1.00 0.00 N ATOM 768 CA ASP A 47 -6.567 -6.004 -5.669 1.00 0.00 C ATOM 769 C ASP A 47 -6.097 -6.611 -6.983 1.00 0.00 C ATOM 770 O ASP A 47 -6.472 -7.734 -7.329 1.00 0.00 O ATOM 771 CB ASP A 47 -7.990 -6.470 -5.357 1.00 0.00 C ATOM 772 CG ASP A 47 -8.244 -6.590 -3.867 1.00 0.00 C ATOM 773 OD1 ASP A 47 -8.353 -5.543 -3.197 1.00 0.00 O ATOM 774 OD2 ASP A 47 -8.330 -7.732 -3.370 1.00 0.00 O ATOM 0 H ASP A 47 -7.337 -4.102 -6.101 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.896 -6.345 -4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.703 -5.767 -5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.166 -7.435 -5.832 1.00 0.00 H new ATOM 779 N GLU A 48 -5.275 -5.871 -7.722 1.00 0.00 N ATOM 780 CA GLU A 48 -4.754 -6.344 -8.994 1.00 0.00 C ATOM 781 C GLU A 48 -3.532 -7.228 -8.788 1.00 0.00 C ATOM 782 O GLU A 48 -3.250 -8.123 -9.585 1.00 0.00 O ATOM 783 CB GLU A 48 -4.399 -5.164 -9.899 1.00 0.00 C ATOM 784 CG GLU A 48 -4.587 -5.451 -11.379 1.00 0.00 C ATOM 785 CD GLU A 48 -5.929 -4.976 -11.904 1.00 0.00 C ATOM 786 OE1 GLU A 48 -6.935 -5.685 -11.689 1.00 0.00 O ATOM 787 OE2 GLU A 48 -5.978 -3.893 -12.524 1.00 0.00 O ATOM 0 H GLU A 48 -4.957 -4.939 -7.458 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.532 -6.938 -9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.015 -4.308 -9.623 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.361 -4.881 -9.722 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.789 -4.967 -11.943 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.493 -6.523 -11.551 1.00 0.00 H new ATOM 794 N THR A 49 -2.805 -6.970 -7.701 1.00 0.00 N ATOM 795 CA THR A 49 -1.611 -7.739 -7.379 1.00 0.00 C ATOM 796 C THR A 49 -1.015 -7.275 -6.053 1.00 0.00 C ATOM 797 O THR A 49 0.203 -7.210 -5.895 1.00 0.00 O ATOM 798 CB THR A 49 -0.569 -7.602 -8.489 1.00 0.00 C ATOM 799 OG1 THR A 49 0.647 -8.229 -8.119 1.00 0.00 O ATOM 800 CG2 THR A 49 -0.253 -6.163 -8.841 1.00 0.00 C ATOM 0 H THR A 49 -3.025 -6.233 -7.031 1.00 0.00 H new ATOM 0 HA THR A 49 -1.898 -8.787 -7.290 1.00 0.00 H new ATOM 0 HB THR A 49 -1.013 -8.084 -9.360 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.016 -7.786 -7.327 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.493 -6.138 -9.635 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.161 -5.664 -9.180 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.136 -5.650 -7.961 1.00 0.00 H new ATOM 808 N LYS A 50 -1.886 -6.953 -5.100 1.00 0.00 N ATOM 809 CA LYS A 50 -1.451 -6.493 -3.787 1.00 0.00 C ATOM 810 C LYS A 50 -0.630 -5.213 -3.909 1.00 0.00 C ATOM 811 O LYS A 50 0.599 -5.242 -3.826 1.00 0.00 O ATOM 812 CB LYS A 50 -0.628 -7.578 -3.090 1.00 0.00 C ATOM 813 CG LYS A 50 -1.460 -8.754 -2.604 1.00 0.00 C ATOM 814 CD LYS A 50 -1.798 -9.705 -3.743 1.00 0.00 C ATOM 815 CE LYS A 50 -3.201 -9.461 -4.276 1.00 0.00 C ATOM 816 NZ LYS A 50 -4.009 -10.712 -4.304 1.00 0.00 N ATOM 0 H LYS A 50 -2.898 -7.003 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.337 -6.281 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.134 -7.943 -3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.106 -7.137 -2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.914 -9.292 -1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.380 -8.387 -2.149 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.075 -9.580 -4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.714 -10.735 -3.396 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.702 -8.719 -3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.140 -9.045 -5.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.959 -10.504 -4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.545 -11.412 -4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.089 -11.095 -3.341 1.00 0.00 H new ATOM 830 N THR A 51 -1.315 -4.091 -4.103 1.00 0.00 N ATOM 831 CA THR A 51 -0.639 -2.805 -4.238 1.00 0.00 C ATOM 832 C THR A 51 -1.418 -1.693 -3.542 1.00 0.00 C ATOM 833 O THR A 51 -2.608 -1.506 -3.787 1.00 0.00 O ATOM 834 CB THR A 51 -0.453 -2.460 -5.717 1.00 0.00 C ATOM 835 OG1 THR A 51 0.260 -3.483 -6.386 1.00 0.00 O ATOM 836 CG2 THR A 51 0.294 -1.161 -5.939 1.00 0.00 C ATOM 0 H THR A 51 -2.332 -4.045 -4.170 1.00 0.00 H new ATOM 0 HA THR A 51 0.337 -2.889 -3.760 1.00 0.00 H new ATOM 0 HB THR A 51 -1.461 -2.355 -6.117 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.257 -3.307 -7.350 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.392 -0.976 -7.009 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.256 -0.341 -5.477 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.285 -1.230 -5.491 1.00 0.00 H new ATOM 844 N PHE A 52 -0.728 -0.953 -2.677 1.00 0.00 N ATOM 845 CA PHE A 52 -1.345 0.152 -1.950 1.00 0.00 C ATOM 846 C PHE A 52 -1.102 1.471 -2.680 1.00 0.00 C ATOM 847 O PHE A 52 -0.090 1.633 -3.359 1.00 0.00 O ATOM 848 CB PHE A 52 -0.780 0.234 -0.531 1.00 0.00 C ATOM 849 CG PHE A 52 -1.329 -0.811 0.399 1.00 0.00 C ATOM 850 CD1 PHE A 52 -0.877 -2.119 0.333 1.00 0.00 C ATOM 851 CD2 PHE A 52 -2.290 -0.482 1.344 1.00 0.00 C ATOM 852 CE1 PHE A 52 -1.375 -3.082 1.189 1.00 0.00 C ATOM 853 CE2 PHE A 52 -2.791 -1.442 2.201 1.00 0.00 C ATOM 854 CZ PHE A 52 -2.335 -2.742 2.126 1.00 0.00 C ATOM 0 H PHE A 52 0.259 -1.099 -2.463 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.418 -0.029 -1.895 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.305 0.135 -0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.994 1.221 -0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.127 -2.389 -0.396 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.650 0.534 1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.016 -4.099 1.127 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.541 -1.175 2.931 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.726 -3.492 2.797 1.00 0.00 H new ATOM 864 N THR A 53 -2.035 2.405 -2.541 1.00 0.00 N ATOM 865 CA THR A 53 -1.912 3.704 -3.195 1.00 0.00 C ATOM 866 C THR A 53 -2.465 4.821 -2.316 1.00 0.00 C ATOM 867 O THR A 53 -3.664 4.881 -2.050 1.00 0.00 O ATOM 868 CB THR A 53 -2.639 3.691 -4.539 1.00 0.00 C ATOM 869 OG1 THR A 53 -2.138 2.658 -5.369 1.00 0.00 O ATOM 870 CG2 THR A 53 -2.514 4.993 -5.303 1.00 0.00 C ATOM 0 H THR A 53 -2.882 2.289 -1.984 1.00 0.00 H new ATOM 0 HA THR A 53 -0.852 3.895 -3.361 1.00 0.00 H new ATOM 0 HB THR A 53 -3.690 3.531 -4.296 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.617 2.664 -6.224 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.053 4.914 -6.247 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.936 5.805 -4.710 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.462 5.199 -5.502 1.00 0.00 H new ATOM 878 N VAL A 54 -1.584 5.713 -1.874 1.00 0.00 N ATOM 879 CA VAL A 54 -1.987 6.832 -1.032 1.00 0.00 C ATOM 880 C VAL A 54 -1.377 8.136 -1.538 1.00 0.00 C ATOM 881 O VAL A 54 -0.311 8.135 -2.147 1.00 0.00 O ATOM 882 CB VAL A 54 -1.574 6.614 0.438 1.00 0.00 C ATOM 883 CG1 VAL A 54 -0.065 6.466 0.553 1.00 0.00 C ATOM 884 CG2 VAL A 54 -2.075 7.751 1.315 1.00 0.00 C ATOM 0 H VAL A 54 -0.587 5.682 -2.085 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.074 6.895 -1.082 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.035 5.691 0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.207 6.313 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.263 5.610 -0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.419 7.369 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.772 7.575 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.651 8.693 0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.162 7.801 1.260 1.00 0.00 H new ATOM 894 N THR A 55 -2.061 9.249 -1.291 1.00 0.00 N ATOM 895 CA THR A 55 -1.574 10.553 -1.731 1.00 0.00 C ATOM 896 C THR A 55 -1.845 11.620 -0.674 1.00 0.00 C ATOM 897 O THR A 55 -2.485 11.349 0.340 1.00 0.00 O ATOM 898 CB THR A 55 -2.226 10.951 -3.063 1.00 0.00 C ATOM 899 OG1 THR A 55 -3.316 11.831 -2.851 1.00 0.00 O ATOM 900 CG2 THR A 55 -2.743 9.774 -3.862 1.00 0.00 C ATOM 0 H THR A 55 -2.950 9.275 -0.791 1.00 0.00 H new ATOM 0 HA THR A 55 -0.496 10.478 -1.877 1.00 0.00 H new ATOM 0 HB THR A 55 -1.430 11.433 -3.630 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.714 12.072 -3.713 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.190 10.132 -4.790 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.918 9.100 -4.093 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.494 9.241 -3.280 1.00 0.00 H new ATOM 908 N GLU A 56 -1.361 12.831 -0.926 1.00 0.00 N ATOM 909 CA GLU A 56 -1.554 13.936 0.001 1.00 0.00 C ATOM 910 C GLU A 56 -2.508 14.970 -0.590 1.00 0.00 C ATOM 911 O GLU A 56 -3.492 14.565 -1.251 1.00 0.00 O ATOM 912 CB GLU A 56 -0.215 14.592 0.339 1.00 0.00 C ATOM 913 CG GLU A 56 -0.293 15.581 1.493 1.00 0.00 C ATOM 914 CD GLU A 56 0.597 16.789 1.283 1.00 0.00 C ATOM 915 OE1 GLU A 56 1.660 16.644 0.647 1.00 0.00 O ATOM 916 OE2 GLU A 56 0.220 17.890 1.756 1.00 0.00 O ATOM 917 OXT GLU A 56 -2.276 16.183 -0.384 1.00 0.00 O ATOM 0 H GLU A 56 -0.832 13.071 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.991 13.540 0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.508 13.815 0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.161 15.107 -0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.325 15.911 1.616 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.007 15.079 2.417 1.00 0.00 H new TER 924 GLU A 56