USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=16 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= 0.101 (180deg=0.101) USER MOD Set 1.2: A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 THR N :NH3+ 170:sc= 1.33 (180deg=1.12) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 165:sc= -5.5! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.47 X(o=-1.5,f=-1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.221 X(o=-0.22,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0224) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -162:sc=-0.00321 (180deg=-0.533) USER MOD Single : A 38 THR OG1 : rot -21:sc= -4.31! USER MOD Single : A 44 THR OG1 : rot 67:sc= 0.771 USER MOD Single : A 45 TYR OH : rot 180:sc= -1.48 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -46:sc= 0.429 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 160:sc= -0.175 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0284 USER MOD Single : A 55 THR OG1 : rot 48:sc= 0.42 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.143 -12.784 -0.553 1.00 0.00 N ATOM 2 CA THR A 1 4.417 -12.047 -1.621 1.00 0.00 C ATOM 3 C THR A 1 5.023 -10.663 -1.841 1.00 0.00 C ATOM 4 O THR A 1 5.574 -10.064 -0.921 1.00 0.00 O ATOM 5 CB THR A 1 2.949 -11.920 -1.214 1.00 0.00 C ATOM 6 OG1 THR A 1 2.433 -13.175 -0.802 1.00 0.00 O ATOM 7 CG2 THR A 1 2.062 -11.402 -2.324 1.00 0.00 C ATOM 0 H1 THR A 1 4.615 -13.645 -0.305 1.00 0.00 H new ATOM 0 H2 THR A 1 6.090 -13.045 -0.894 1.00 0.00 H new ATOM 0 H3 THR A 1 5.232 -12.178 0.288 1.00 0.00 H new ATOM 0 HA THR A 1 4.501 -12.598 -2.558 1.00 0.00 H new ATOM 0 HB THR A 1 2.938 -11.199 -0.396 1.00 0.00 H new ATOM 0 HG1 THR A 1 1.493 -13.073 -0.544 1.00 0.00 H new ATOM 0 HG21 THR A 1 1.034 -11.336 -1.968 1.00 0.00 H new ATOM 0 HG22 THR A 1 2.403 -10.413 -2.631 1.00 0.00 H new ATOM 0 HG23 THR A 1 2.108 -12.082 -3.174 1.00 0.00 H new ATOM 17 N THR A 2 4.914 -10.166 -3.071 1.00 0.00 N ATOM 18 CA THR A 2 5.451 -8.854 -3.412 1.00 0.00 C ATOM 19 C THR A 2 4.391 -7.769 -3.245 1.00 0.00 C ATOM 20 O THR A 2 3.369 -7.779 -3.928 1.00 0.00 O ATOM 21 CB THR A 2 5.977 -8.853 -4.849 1.00 0.00 C ATOM 22 OG1 THR A 2 6.855 -9.944 -5.062 1.00 0.00 O ATOM 23 CG2 THR A 2 6.721 -7.587 -5.211 1.00 0.00 C ATOM 0 H THR A 2 4.460 -10.651 -3.845 1.00 0.00 H new ATOM 0 HA THR A 2 6.274 -8.639 -2.730 1.00 0.00 H new ATOM 0 HB THR A 2 5.093 -8.929 -5.482 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.179 -9.927 -5.987 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.067 -7.651 -6.243 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.055 -6.731 -5.104 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.577 -7.466 -4.548 1.00 0.00 H new ATOM 31 N TYR A 3 4.647 -6.838 -2.332 1.00 0.00 N ATOM 32 CA TYR A 3 3.720 -5.747 -2.069 1.00 0.00 C ATOM 33 C TYR A 3 4.218 -4.448 -2.702 1.00 0.00 C ATOM 34 O TYR A 3 5.385 -4.088 -2.561 1.00 0.00 O ATOM 35 CB TYR A 3 3.534 -5.570 -0.563 1.00 0.00 C ATOM 36 CG TYR A 3 2.285 -6.236 -0.041 1.00 0.00 C ATOM 37 CD1 TYR A 3 1.034 -5.678 -0.264 1.00 0.00 C ATOM 38 CD2 TYR A 3 2.355 -7.435 0.654 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.112 -6.297 0.198 1.00 0.00 C ATOM 40 CE2 TYR A 3 1.215 -8.061 1.112 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.016 -7.488 0.880 1.00 0.00 C ATOM 42 OH TYR A 3 -1.154 -8.113 1.332 1.00 0.00 O ATOM 0 H TYR A 3 5.492 -6.819 -1.761 1.00 0.00 H new ATOM 0 HA TYR A 3 2.757 -5.995 -2.517 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.401 -5.979 -0.045 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.496 -4.506 -0.330 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.955 -4.747 -0.806 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.319 -7.886 0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.079 -5.848 0.024 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.287 -8.995 1.649 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.944 -9.039 1.574 1.00 0.00 H new ATOM 52 N LYS A 4 3.329 -3.757 -3.410 1.00 0.00 N ATOM 53 CA LYS A 4 3.690 -2.507 -4.076 1.00 0.00 C ATOM 54 C LYS A 4 2.979 -1.310 -3.451 1.00 0.00 C ATOM 55 O LYS A 4 1.801 -1.384 -3.103 1.00 0.00 O ATOM 56 CB LYS A 4 3.351 -2.589 -5.564 1.00 0.00 C ATOM 57 CG LYS A 4 4.279 -1.773 -6.446 1.00 0.00 C ATOM 58 CD LYS A 4 3.559 -1.250 -7.679 1.00 0.00 C ATOM 59 CE LYS A 4 3.033 -2.387 -8.541 1.00 0.00 C ATOM 60 NZ LYS A 4 2.699 -1.931 -9.919 1.00 0.00 N ATOM 0 H LYS A 4 2.357 -4.039 -3.538 1.00 0.00 H new ATOM 0 HA LYS A 4 4.763 -2.364 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.388 -3.632 -5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.327 -2.247 -5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.682 -0.936 -5.876 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.126 -2.387 -6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.731 -0.610 -7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.240 -0.633 -8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.780 -3.179 -8.592 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.145 -2.815 -8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.344 -2.735 -10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.968 -1.193 -9.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.552 -1.546 -10.373 1.00 0.00 H new ATOM 74 N LEU A 5 3.705 -0.203 -3.322 1.00 0.00 N ATOM 75 CA LEU A 5 3.148 1.017 -2.750 1.00 0.00 C ATOM 76 C LEU A 5 3.596 2.241 -3.542 1.00 0.00 C ATOM 77 O LEU A 5 4.768 2.364 -3.900 1.00 0.00 O ATOM 78 CB LEU A 5 3.556 1.166 -1.283 1.00 0.00 C ATOM 79 CG LEU A 5 3.189 2.501 -0.631 1.00 0.00 C ATOM 80 CD1 LEU A 5 1.689 2.738 -0.699 1.00 0.00 C ATOM 81 CD2 LEU A 5 3.671 2.535 0.812 1.00 0.00 C ATOM 0 H LEU A 5 4.682 -0.127 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 5 2.062 0.944 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.092 0.362 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.635 1.029 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 5 3.685 3.301 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.450 3.692 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.370 2.756 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.170 1.936 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.403 3.491 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.202 1.726 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.754 2.413 0.837 1.00 0.00 H new ATOM 93 N ILE A 6 2.659 3.144 -3.808 1.00 0.00 N ATOM 94 CA ILE A 6 2.960 4.358 -4.555 1.00 0.00 C ATOM 95 C ILE A 6 2.446 5.592 -3.825 1.00 0.00 C ATOM 96 O ILE A 6 1.255 5.695 -3.525 1.00 0.00 O ATOM 97 CB ILE A 6 2.345 4.317 -5.969 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.880 3.878 -5.899 1.00 0.00 C ATOM 99 CG2 ILE A 6 3.141 3.382 -6.870 1.00 0.00 C ATOM 100 CD1 ILE A 6 0.165 3.943 -7.232 1.00 0.00 C ATOM 0 H ILE A 6 1.685 3.058 -3.517 1.00 0.00 H new ATOM 0 HA ILE A 6 4.045 4.415 -4.642 1.00 0.00 H new ATOM 0 HB ILE A 6 2.386 5.320 -6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.833 2.857 -5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.354 4.509 -5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.693 3.365 -7.864 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.170 3.734 -6.942 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.131 2.376 -6.450 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.868 3.618 -7.107 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.181 4.968 -7.604 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.667 3.290 -7.946 1.00 0.00 H new ATOM 112 N LEU A 7 3.348 6.526 -3.537 1.00 0.00 N ATOM 113 CA LEU A 7 2.975 7.750 -2.840 1.00 0.00 C ATOM 114 C LEU A 7 3.134 8.969 -3.739 1.00 0.00 C ATOM 115 O LEU A 7 4.150 9.129 -4.415 1.00 0.00 O ATOM 116 CB LEU A 7 3.818 7.939 -1.578 1.00 0.00 C ATOM 117 CG LEU A 7 3.522 6.954 -0.441 1.00 0.00 C ATOM 118 CD1 LEU A 7 4.663 5.959 -0.281 1.00 0.00 C ATOM 119 CD2 LEU A 7 3.278 7.703 0.864 1.00 0.00 C ATOM 0 H LEU A 7 4.338 6.458 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 7 1.926 7.653 -2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.871 7.852 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.666 8.953 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 7 2.618 6.400 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.433 5.269 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.790 5.399 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.584 6.495 -0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.069 6.988 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.164 8.284 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.426 8.373 0.745 1.00 0.00 H new ATOM 131 N ASN A 8 2.122 9.833 -3.737 1.00 0.00 N ATOM 132 CA ASN A 8 2.153 11.046 -4.547 1.00 0.00 C ATOM 133 C ASN A 8 1.973 12.283 -3.670 1.00 0.00 C ATOM 134 O ASN A 8 0.954 12.970 -3.743 1.00 0.00 O ATOM 135 CB ASN A 8 1.067 10.999 -5.623 1.00 0.00 C ATOM 136 CG ASN A 8 1.011 9.664 -6.337 1.00 0.00 C ATOM 137 OD1 ASN A 8 1.385 9.557 -7.505 1.00 0.00 O ATOM 138 ND2 ASN A 8 0.543 8.637 -5.638 1.00 0.00 N ATOM 0 H ASN A 8 1.273 9.715 -3.185 1.00 0.00 H new ATOM 0 HA ASN A 8 3.126 11.106 -5.035 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.099 11.203 -5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.248 11.789 -6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.482 7.714 -6.067 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.244 8.771 -4.672 1.00 0.00 H new ATOM 145 N LEU A 9 2.972 12.559 -2.837 1.00 0.00 N ATOM 146 CA LEU A 9 2.923 13.711 -1.944 1.00 0.00 C ATOM 147 C LEU A 9 3.198 15.000 -2.709 1.00 0.00 C ATOM 148 O LEU A 9 3.867 14.990 -3.741 1.00 0.00 O ATOM 149 CB LEU A 9 3.919 13.546 -0.788 1.00 0.00 C ATOM 150 CG LEU A 9 5.384 13.399 -1.191 1.00 0.00 C ATOM 151 CD1 LEU A 9 6.287 13.983 -0.114 1.00 0.00 C ATOM 152 CD2 LEU A 9 5.737 11.943 -1.444 1.00 0.00 C ATOM 0 H LEU A 9 3.823 12.002 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 9 1.919 13.771 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.828 14.409 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.631 12.669 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 9 5.538 13.950 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.329 13.872 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.058 15.040 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.121 13.455 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.786 11.867 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.565 11.364 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.113 11.552 -2.248 1.00 0.00 H new ATOM 164 N LYS A 10 2.661 16.109 -2.204 1.00 0.00 N ATOM 165 CA LYS A 10 2.828 17.407 -2.837 1.00 0.00 C ATOM 166 C LYS A 10 4.289 17.701 -3.178 1.00 0.00 C ATOM 167 O LYS A 10 4.591 18.225 -4.248 1.00 0.00 O ATOM 168 CB LYS A 10 2.280 18.508 -1.931 1.00 0.00 C ATOM 169 CG LYS A 10 1.185 19.340 -2.580 1.00 0.00 C ATOM 170 CD LYS A 10 0.785 20.522 -1.703 1.00 0.00 C ATOM 171 CE LYS A 10 -0.714 20.756 -1.739 1.00 0.00 C ATOM 172 NZ LYS A 10 -1.046 22.205 -1.828 1.00 0.00 N ATOM 0 H LYS A 10 2.103 16.129 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 10 2.268 17.384 -3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.890 18.056 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.098 19.165 -1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.529 19.704 -3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.313 18.713 -2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.102 20.339 -0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.303 21.419 -2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.143 20.232 -2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.169 20.333 -0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.079 22.324 -1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.658 22.701 -1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.633 22.603 -2.695 1.00 0.00 H new ATOM 186 N GLN A 11 5.187 17.368 -2.260 1.00 0.00 N ATOM 187 CA GLN A 11 6.614 17.601 -2.465 1.00 0.00 C ATOM 188 C GLN A 11 7.108 16.887 -3.722 1.00 0.00 C ATOM 189 O GLN A 11 7.958 17.397 -4.442 1.00 0.00 O ATOM 190 CB GLN A 11 7.403 17.135 -1.231 1.00 0.00 C ATOM 191 CG GLN A 11 8.915 17.038 -1.446 1.00 0.00 C ATOM 192 CD GLN A 11 9.598 16.241 -0.346 1.00 0.00 C ATOM 193 OE1 GLN A 11 10.495 15.442 -0.613 1.00 0.00 O ATOM 194 NE2 GLN A 11 9.183 16.468 0.890 1.00 0.00 N ATOM 0 H GLN A 11 4.954 16.936 -1.366 1.00 0.00 H new ATOM 0 HA GLN A 11 6.775 18.670 -2.603 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.209 17.824 -0.409 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.029 16.159 -0.923 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.115 16.570 -2.410 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.341 18.041 -1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.435 17.140 1.062 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.611 15.971 1.671 1.00 0.00 H new ATOM 203 N ALA A 12 6.565 15.698 -3.974 1.00 0.00 N ATOM 204 CA ALA A 12 6.950 14.910 -5.142 1.00 0.00 C ATOM 205 C ALA A 12 6.225 13.569 -5.168 1.00 0.00 C ATOM 206 O ALA A 12 5.524 13.208 -4.221 1.00 0.00 O ATOM 207 CB ALA A 12 8.459 14.694 -5.163 1.00 0.00 C ATOM 0 H ALA A 12 5.857 15.259 -3.385 1.00 0.00 H new ATOM 0 HA ALA A 12 6.660 15.468 -6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.730 14.105 -6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.964 15.659 -5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.763 14.163 -4.261 1.00 0.00 H new ATOM 213 N LYS A 13 6.396 12.828 -6.259 1.00 0.00 N ATOM 214 CA LYS A 13 5.764 11.526 -6.415 1.00 0.00 C ATOM 215 C LYS A 13 6.792 10.408 -6.289 1.00 0.00 C ATOM 216 O LYS A 13 7.732 10.323 -7.076 1.00 0.00 O ATOM 217 CB LYS A 13 5.057 11.435 -7.771 1.00 0.00 C ATOM 218 CG LYS A 13 3.848 12.348 -7.888 1.00 0.00 C ATOM 219 CD LYS A 13 3.807 13.049 -9.241 1.00 0.00 C ATOM 220 CE LYS A 13 4.285 14.483 -9.138 1.00 0.00 C ATOM 221 NZ LYS A 13 4.700 15.025 -10.461 1.00 0.00 N ATOM 0 H LYS A 13 6.971 13.112 -7.052 1.00 0.00 H new ATOM 0 HA LYS A 13 5.026 11.410 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.767 11.684 -8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.742 10.405 -7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.937 11.766 -7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.874 13.092 -7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.430 12.507 -9.952 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.789 13.031 -9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.489 15.103 -8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.124 14.537 -8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.020 16.008 -10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.477 14.449 -10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.893 14.997 -11.116 1.00 0.00 H new ATOM 235 N GLU A 14 6.606 9.553 -5.289 1.00 0.00 N ATOM 236 CA GLU A 14 7.519 8.437 -5.058 1.00 0.00 C ATOM 237 C GLU A 14 6.781 7.102 -5.116 1.00 0.00 C ATOM 238 O GLU A 14 5.621 7.006 -4.714 1.00 0.00 O ATOM 239 CB GLU A 14 8.211 8.593 -3.703 1.00 0.00 C ATOM 240 CG GLU A 14 8.905 9.926 -3.524 1.00 0.00 C ATOM 241 CD GLU A 14 10.258 9.973 -4.211 1.00 0.00 C ATOM 242 OE1 GLU A 14 11.172 9.244 -3.773 1.00 0.00 O ATOM 243 OE2 GLU A 14 10.397 10.737 -5.186 1.00 0.00 O ATOM 0 H GLU A 14 5.833 9.610 -4.626 1.00 0.00 H new ATOM 0 HA GLU A 14 8.270 8.447 -5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.472 8.469 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.943 7.794 -3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.271 10.718 -3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.034 10.125 -2.460 1.00 0.00 H new ATOM 250 N GLU A 15 7.461 6.078 -5.617 1.00 0.00 N ATOM 251 CA GLU A 15 6.874 4.746 -5.727 1.00 0.00 C ATOM 252 C GLU A 15 7.939 3.669 -5.550 1.00 0.00 C ATOM 253 O GLU A 15 9.081 3.835 -5.979 1.00 0.00 O ATOM 254 CB GLU A 15 6.184 4.582 -7.082 1.00 0.00 C ATOM 255 CG GLU A 15 7.101 4.842 -8.266 1.00 0.00 C ATOM 256 CD GLU A 15 6.567 4.248 -9.556 1.00 0.00 C ATOM 257 OE1 GLU A 15 5.759 3.299 -9.483 1.00 0.00 O ATOM 258 OE2 GLU A 15 6.960 4.732 -10.639 1.00 0.00 O ATOM 0 H GLU A 15 8.421 6.144 -5.954 1.00 0.00 H new ATOM 0 HA GLU A 15 6.134 4.633 -4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.785 3.571 -7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.335 5.264 -7.133 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.231 5.917 -8.391 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.086 4.424 -8.057 1.00 0.00 H new ATOM 265 N ALA A 16 7.559 2.564 -4.912 1.00 0.00 N ATOM 266 CA ALA A 16 8.488 1.463 -4.682 1.00 0.00 C ATOM 267 C ALA A 16 7.750 0.137 -4.524 1.00 0.00 C ATOM 268 O ALA A 16 6.518 0.098 -4.508 1.00 0.00 O ATOM 269 CB ALA A 16 9.338 1.740 -3.451 1.00 0.00 C ATOM 0 H ALA A 16 6.619 2.409 -4.547 1.00 0.00 H new ATOM 0 HA ALA A 16 9.137 1.385 -5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.027 0.911 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.905 2.659 -3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.692 1.849 -2.580 1.00 0.00 H new ATOM 275 N ILE A 17 8.512 -0.945 -4.411 1.00 0.00 N ATOM 276 CA ILE A 17 7.938 -2.277 -4.256 1.00 0.00 C ATOM 277 C ILE A 17 8.643 -3.048 -3.141 1.00 0.00 C ATOM 278 O ILE A 17 9.869 -3.163 -3.134 1.00 0.00 O ATOM 279 CB ILE A 17 8.028 -3.082 -5.568 1.00 0.00 C ATOM 280 CG1 ILE A 17 7.345 -4.445 -5.414 1.00 0.00 C ATOM 281 CG2 ILE A 17 9.482 -3.251 -5.987 1.00 0.00 C ATOM 282 CD1 ILE A 17 6.140 -4.619 -6.308 1.00 0.00 C ATOM 0 H ILE A 17 9.532 -0.926 -4.424 1.00 0.00 H new ATOM 0 HA ILE A 17 6.888 -2.146 -3.994 1.00 0.00 H new ATOM 0 HB ILE A 17 7.507 -2.529 -6.350 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.067 -5.231 -5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.039 -4.574 -4.376 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.529 -3.821 -6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.933 -2.270 -6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.026 -3.782 -5.206 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.707 -5.606 -6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.399 -3.855 -6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.443 -4.522 -7.350 1.00 0.00 H new ATOM 294 N LYS A 18 7.860 -3.564 -2.199 1.00 0.00 N ATOM 295 CA LYS A 18 8.411 -4.317 -1.075 1.00 0.00 C ATOM 296 C LYS A 18 7.643 -5.618 -0.861 1.00 0.00 C ATOM 297 O LYS A 18 6.412 -5.640 -0.914 1.00 0.00 O ATOM 298 CB LYS A 18 8.372 -3.476 0.209 1.00 0.00 C ATOM 299 CG LYS A 18 8.350 -1.971 -0.033 1.00 0.00 C ATOM 300 CD LYS A 18 9.251 -1.235 0.942 1.00 0.00 C ATOM 301 CE LYS A 18 10.554 -0.805 0.284 1.00 0.00 C ATOM 302 NZ LYS A 18 11.212 0.305 1.024 1.00 0.00 N ATOM 0 H LYS A 18 6.844 -3.475 -2.190 1.00 0.00 H new ATOM 0 HA LYS A 18 9.447 -4.558 -1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.490 -3.753 0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.241 -3.722 0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.670 -1.761 -1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.329 -1.601 0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.731 -0.358 1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.468 -1.878 1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.232 -1.657 0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.356 -0.490 -0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.096 0.567 0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.576 1.128 1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.425 -0.003 1.994 1.00 0.00 H new ATOM 316 N GLU A 19 8.374 -6.703 -0.624 1.00 0.00 N ATOM 317 CA GLU A 19 7.759 -8.011 -0.406 1.00 0.00 C ATOM 318 C GLU A 19 7.454 -8.236 1.072 1.00 0.00 C ATOM 319 O GLU A 19 8.123 -7.685 1.946 1.00 0.00 O ATOM 320 CB GLU A 19 8.677 -9.120 -0.924 1.00 0.00 C ATOM 321 CG GLU A 19 9.995 -9.221 -0.172 1.00 0.00 C ATOM 322 CD GLU A 19 9.873 -10.010 1.117 1.00 0.00 C ATOM 323 OE1 GLU A 19 9.593 -11.225 1.045 1.00 0.00 O ATOM 324 OE2 GLU A 19 10.057 -9.414 2.199 1.00 0.00 O ATOM 0 H GLU A 19 9.393 -6.704 -0.578 1.00 0.00 H new ATOM 0 HA GLU A 19 6.819 -8.037 -0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.155 -10.074 -0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.883 -8.946 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.739 -9.693 -0.813 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.358 -8.218 0.053 1.00 0.00 H new ATOM 331 N LEU A 20 6.439 -9.052 1.343 1.00 0.00 N ATOM 332 CA LEU A 20 6.041 -9.357 2.715 1.00 0.00 C ATOM 333 C LEU A 20 5.402 -10.743 2.799 1.00 0.00 C ATOM 334 O LEU A 20 5.399 -11.490 1.821 1.00 0.00 O ATOM 335 CB LEU A 20 5.074 -8.291 3.234 1.00 0.00 C ATOM 336 CG LEU A 20 5.731 -6.971 3.651 1.00 0.00 C ATOM 337 CD1 LEU A 20 5.381 -5.865 2.669 1.00 0.00 C ATOM 338 CD2 LEU A 20 5.308 -6.588 5.061 1.00 0.00 C ATOM 0 H LEU A 20 5.876 -9.515 0.629 1.00 0.00 H new ATOM 0 HA LEU A 20 6.934 -9.356 3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.335 -8.084 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.534 -8.697 4.089 1.00 0.00 H new ATOM 0 HG LEU A 20 6.812 -7.107 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.857 -4.936 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.735 -6.136 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.300 -5.729 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.784 -5.648 5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.225 -6.471 5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.612 -7.370 5.757 1.00 0.00 H new ATOM 350 N VAL A 21 4.865 -11.082 3.968 1.00 0.00 N ATOM 351 CA VAL A 21 4.233 -12.383 4.165 1.00 0.00 C ATOM 352 C VAL A 21 2.715 -12.301 4.032 1.00 0.00 C ATOM 353 O VAL A 21 2.074 -13.243 3.563 1.00 0.00 O ATOM 354 CB VAL A 21 4.582 -12.978 5.544 1.00 0.00 C ATOM 355 CG1 VAL A 21 5.995 -13.544 5.538 1.00 0.00 C ATOM 356 CG2 VAL A 21 4.425 -11.932 6.639 1.00 0.00 C ATOM 0 H VAL A 21 4.855 -10.477 4.789 1.00 0.00 H new ATOM 0 HA VAL A 21 4.623 -13.034 3.383 1.00 0.00 H new ATOM 0 HB VAL A 21 3.887 -13.792 5.752 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.225 -13.960 6.519 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.070 -14.329 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.704 -12.750 5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.676 -12.374 7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.092 -11.093 6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.394 -11.579 6.660 1.00 0.00 H new ATOM 366 N ASP A 22 2.140 -11.177 4.448 1.00 0.00 N ATOM 367 CA ASP A 22 0.695 -10.986 4.373 1.00 0.00 C ATOM 368 C ASP A 22 0.345 -9.505 4.264 1.00 0.00 C ATOM 369 O ASP A 22 1.226 -8.648 4.285 1.00 0.00 O ATOM 370 CB ASP A 22 0.017 -11.594 5.601 1.00 0.00 C ATOM 371 CG ASP A 22 -1.367 -12.133 5.292 1.00 0.00 C ATOM 372 OD1 ASP A 22 -1.535 -12.756 4.220 1.00 0.00 O ATOM 373 OD2 ASP A 22 -2.280 -11.932 6.117 1.00 0.00 O ATOM 0 H ASP A 22 2.651 -10.386 4.840 1.00 0.00 H new ATOM 0 HA ASP A 22 0.332 -11.491 3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.638 -12.399 5.994 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.057 -10.838 6.383 1.00 0.00 H new ATOM 378 N ALA A 23 -0.948 -9.211 4.151 1.00 0.00 N ATOM 379 CA ALA A 23 -1.403 -7.832 4.041 1.00 0.00 C ATOM 380 C ALA A 23 -1.424 -7.152 5.399 1.00 0.00 C ATOM 381 O ALA A 23 -0.903 -6.045 5.552 1.00 0.00 O ATOM 382 CB ALA A 23 -2.778 -7.765 3.400 1.00 0.00 C ATOM 0 H ALA A 23 -1.694 -9.907 4.133 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.696 -7.302 3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.096 -6.725 3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.736 -8.201 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.491 -8.321 4.009 1.00 0.00 H new ATOM 388 N ALA A 24 -2.017 -7.814 6.391 1.00 0.00 N ATOM 389 CA ALA A 24 -2.083 -7.260 7.738 1.00 0.00 C ATOM 390 C ALA A 24 -0.722 -6.705 8.135 1.00 0.00 C ATOM 391 O ALA A 24 -0.599 -5.551 8.551 1.00 0.00 O ATOM 392 CB ALA A 24 -2.539 -8.321 8.729 1.00 0.00 C ATOM 0 H ALA A 24 -2.456 -8.729 6.287 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.811 -6.449 7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.583 -7.890 9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.528 -8.682 8.446 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.834 -9.152 8.722 1.00 0.00 H new ATOM 398 N THR A 25 0.302 -7.533 7.962 1.00 0.00 N ATOM 399 CA THR A 25 1.661 -7.123 8.267 1.00 0.00 C ATOM 400 C THR A 25 2.108 -6.068 7.268 1.00 0.00 C ATOM 401 O THR A 25 2.746 -5.082 7.635 1.00 0.00 O ATOM 402 CB THR A 25 2.609 -8.328 8.236 1.00 0.00 C ATOM 403 OG1 THR A 25 2.521 -9.063 9.443 1.00 0.00 O ATOM 404 CG2 THR A 25 4.064 -7.953 8.034 1.00 0.00 C ATOM 0 H THR A 25 0.214 -8.488 7.613 1.00 0.00 H new ATOM 0 HA THR A 25 1.688 -6.700 9.271 1.00 0.00 H new ATOM 0 HB THR A 25 2.286 -8.922 7.381 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.131 -9.829 9.405 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.674 -8.856 8.023 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.176 -7.428 7.086 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.389 -7.305 8.848 1.00 0.00 H new ATOM 412 N ALA A 26 1.753 -6.270 6.000 1.00 0.00 N ATOM 413 CA ALA A 26 2.111 -5.317 4.965 1.00 0.00 C ATOM 414 C ALA A 26 1.672 -3.927 5.391 1.00 0.00 C ATOM 415 O ALA A 26 2.455 -2.981 5.390 1.00 0.00 O ATOM 416 CB ALA A 26 1.470 -5.700 3.637 1.00 0.00 C ATOM 0 H ALA A 26 1.223 -7.078 5.672 1.00 0.00 H new ATOM 0 HA ALA A 26 3.192 -5.325 4.827 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.751 -4.973 2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.815 -6.690 3.339 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.386 -5.711 3.746 1.00 0.00 H new ATOM 422 N GLU A 27 0.412 -3.832 5.786 1.00 0.00 N ATOM 423 CA GLU A 27 -0.167 -2.584 6.254 1.00 0.00 C ATOM 424 C GLU A 27 0.676 -1.991 7.374 1.00 0.00 C ATOM 425 O GLU A 27 0.801 -0.775 7.490 1.00 0.00 O ATOM 426 CB GLU A 27 -1.588 -2.831 6.754 1.00 0.00 C ATOM 427 CG GLU A 27 -2.282 -1.581 7.270 1.00 0.00 C ATOM 428 CD GLU A 27 -3.320 -1.049 6.303 1.00 0.00 C ATOM 429 OE1 GLU A 27 -2.979 -0.841 5.117 1.00 0.00 O ATOM 430 OE2 GLU A 27 -4.477 -0.843 6.726 1.00 0.00 O ATOM 0 H GLU A 27 -0.238 -4.618 5.791 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.191 -1.878 5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.180 -3.256 5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.559 -3.574 7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.760 -1.803 8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.537 -0.808 7.459 1.00 0.00 H new ATOM 437 N LYS A 28 1.262 -2.857 8.194 1.00 0.00 N ATOM 438 CA LYS A 28 2.099 -2.397 9.293 1.00 0.00 C ATOM 439 C LYS A 28 3.361 -1.742 8.747 1.00 0.00 C ATOM 440 O LYS A 28 3.740 -0.645 9.159 1.00 0.00 O ATOM 441 CB LYS A 28 2.474 -3.560 10.216 1.00 0.00 C ATOM 442 CG LYS A 28 1.277 -4.286 10.802 1.00 0.00 C ATOM 443 CD LYS A 28 1.661 -5.099 12.028 1.00 0.00 C ATOM 444 CE LYS A 28 2.478 -6.324 11.648 1.00 0.00 C ATOM 445 NZ LYS A 28 3.509 -6.646 12.673 1.00 0.00 N ATOM 0 H LYS A 28 1.174 -3.870 8.119 1.00 0.00 H new ATOM 0 HA LYS A 28 1.534 -1.666 9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.082 -4.272 9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.092 -3.181 11.030 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.508 -3.562 11.071 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.845 -4.945 10.048 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.234 -4.476 12.715 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.760 -5.410 12.557 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.813 -7.178 11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.963 -6.153 10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.043 -7.487 12.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.159 -5.841 12.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.045 -6.835 13.584 1.00 0.00 H new ATOM 459 N TYR A 29 3.999 -2.428 7.806 1.00 0.00 N ATOM 460 CA TYR A 29 5.215 -1.932 7.183 1.00 0.00 C ATOM 461 C TYR A 29 4.908 -0.815 6.189 1.00 0.00 C ATOM 462 O TYR A 29 5.349 0.323 6.357 1.00 0.00 O ATOM 463 CB TYR A 29 5.932 -3.073 6.462 1.00 0.00 C ATOM 464 CG TYR A 29 7.233 -2.657 5.820 1.00 0.00 C ATOM 465 CD1 TYR A 29 7.243 -1.850 4.691 1.00 0.00 C ATOM 466 CD2 TYR A 29 8.454 -3.069 6.342 1.00 0.00 C ATOM 467 CE1 TYR A 29 8.428 -1.463 4.101 1.00 0.00 C ATOM 468 CE2 TYR A 29 9.645 -2.685 5.758 1.00 0.00 C ATOM 469 CZ TYR A 29 9.626 -1.883 4.636 1.00 0.00 C ATOM 470 OH TYR A 29 10.811 -1.498 4.050 1.00 0.00 O ATOM 0 H TYR A 29 3.690 -3.335 7.457 1.00 0.00 H new ATOM 0 HA TYR A 29 5.857 -1.530 7.967 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.127 -3.876 7.173 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.272 -3.480 5.696 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.306 -1.519 4.267 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.471 -3.700 7.219 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.417 -0.834 3.223 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.586 -3.011 6.177 1.00 0.00 H new ATOM 0 HH TYR A 29 11.562 -1.879 4.551 1.00 0.00 H new ATOM 480 N PHE A 30 4.157 -1.160 5.148 1.00 0.00 N ATOM 481 CA PHE A 30 3.790 -0.211 4.103 1.00 0.00 C ATOM 482 C PHE A 30 3.273 1.107 4.685 1.00 0.00 C ATOM 483 O PHE A 30 3.658 2.184 4.228 1.00 0.00 O ATOM 484 CB PHE A 30 2.740 -0.837 3.171 1.00 0.00 C ATOM 485 CG PHE A 30 3.245 -1.180 1.787 1.00 0.00 C ATOM 486 CD1 PHE A 30 4.474 -0.720 1.328 1.00 0.00 C ATOM 487 CD2 PHE A 30 2.479 -1.974 0.942 1.00 0.00 C ATOM 488 CE1 PHE A 30 4.926 -1.048 0.064 1.00 0.00 C ATOM 489 CE2 PHE A 30 2.931 -2.297 -0.323 1.00 0.00 C ATOM 490 CZ PHE A 30 4.154 -1.835 -0.762 1.00 0.00 C ATOM 0 H PHE A 30 3.787 -2.100 5.005 1.00 0.00 H new ATOM 0 HA PHE A 30 4.688 0.019 3.530 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.355 -1.744 3.637 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.901 -0.147 3.076 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.083 -0.098 1.967 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.521 -2.342 1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.885 -0.687 -0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.325 -2.913 -0.970 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.506 -2.090 -1.751 1.00 0.00 H new ATOM 500 N LYS A 31 2.407 1.022 5.689 1.00 0.00 N ATOM 501 CA LYS A 31 1.858 2.224 6.310 1.00 0.00 C ATOM 502 C LYS A 31 2.951 3.005 7.037 1.00 0.00 C ATOM 503 O LYS A 31 3.021 4.228 6.935 1.00 0.00 O ATOM 504 CB LYS A 31 0.735 1.866 7.285 1.00 0.00 C ATOM 505 CG LYS A 31 -0.054 3.071 7.773 1.00 0.00 C ATOM 506 CD LYS A 31 -1.452 3.104 7.174 1.00 0.00 C ATOM 507 CE LYS A 31 -2.513 2.767 8.208 1.00 0.00 C ATOM 508 NZ LYS A 31 -3.791 2.341 7.572 1.00 0.00 N ATOM 0 H LYS A 31 2.072 0.145 6.087 1.00 0.00 H new ATOM 0 HA LYS A 31 1.447 2.852 5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.053 1.168 6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.162 1.349 8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.124 3.045 8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.477 3.986 7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.648 4.093 6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.511 2.396 6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.148 1.972 8.858 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.694 3.637 8.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.455 2.023 8.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.205 3.142 7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.606 1.560 6.911 1.00 0.00 H new ATOM 522 N LEU A 32 3.801 2.289 7.768 1.00 0.00 N ATOM 523 CA LEU A 32 4.890 2.923 8.504 1.00 0.00 C ATOM 524 C LEU A 32 5.876 3.590 7.546 1.00 0.00 C ATOM 525 O LEU A 32 6.595 4.514 7.930 1.00 0.00 O ATOM 526 CB LEU A 32 5.614 1.891 9.374 1.00 0.00 C ATOM 527 CG LEU A 32 5.349 2.015 10.874 1.00 0.00 C ATOM 528 CD1 LEU A 32 4.334 0.978 11.317 1.00 0.00 C ATOM 529 CD2 LEU A 32 6.642 1.867 11.663 1.00 0.00 C ATOM 0 H LEU A 32 3.757 1.275 7.866 1.00 0.00 H new ATOM 0 HA LEU A 32 4.464 3.692 9.149 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.320 0.893 9.049 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.686 1.979 9.201 1.00 0.00 H new ATOM 0 HG LEU A 32 4.942 3.007 11.071 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.155 1.078 12.388 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.399 1.130 10.777 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.717 -0.020 11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.431 1.959 12.728 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.081 0.889 11.463 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.342 2.647 11.364 1.00 0.00 H new ATOM 541 N TYR A 33 5.904 3.116 6.305 1.00 0.00 N ATOM 542 CA TYR A 33 6.798 3.665 5.296 1.00 0.00 C ATOM 543 C TYR A 33 6.269 5.002 4.777 1.00 0.00 C ATOM 544 O TYR A 33 6.979 6.007 4.785 1.00 0.00 O ATOM 545 CB TYR A 33 6.950 2.668 4.140 1.00 0.00 C ATOM 546 CG TYR A 33 7.618 3.240 2.909 1.00 0.00 C ATOM 547 CD1 TYR A 33 6.921 4.074 2.042 1.00 0.00 C ATOM 548 CD2 TYR A 33 8.941 2.943 2.614 1.00 0.00 C ATOM 549 CE1 TYR A 33 7.528 4.598 0.916 1.00 0.00 C ATOM 550 CE2 TYR A 33 9.556 3.464 1.489 1.00 0.00 C ATOM 551 CZ TYR A 33 8.846 4.290 0.644 1.00 0.00 C ATOM 552 OH TYR A 33 9.452 4.808 -0.475 1.00 0.00 O ATOM 0 H TYR A 33 5.316 2.351 5.975 1.00 0.00 H new ATOM 0 HA TYR A 33 7.774 3.838 5.749 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.528 1.812 4.488 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.963 2.296 3.864 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.890 4.316 2.251 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.500 2.295 3.273 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.974 5.245 0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 33 10.587 3.225 1.274 1.00 0.00 H new ATOM 0 HH TYR A 33 10.380 4.495 -0.519 1.00 0.00 H new ATOM 562 N ALA A 34 5.022 4.999 4.325 1.00 0.00 N ATOM 563 CA ALA A 34 4.396 6.202 3.795 1.00 0.00 C ATOM 564 C ALA A 34 4.246 7.274 4.871 1.00 0.00 C ATOM 565 O ALA A 34 4.258 8.468 4.574 1.00 0.00 O ATOM 566 CB ALA A 34 3.040 5.864 3.196 1.00 0.00 C ATOM 0 H ALA A 34 4.423 4.174 4.315 1.00 0.00 H new ATOM 0 HA ALA A 34 5.043 6.602 3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.580 6.770 2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.168 5.142 2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.398 5.437 3.966 1.00 0.00 H new ATOM 572 N ASN A 35 4.103 6.843 6.120 1.00 0.00 N ATOM 573 CA ASN A 35 3.946 7.768 7.234 1.00 0.00 C ATOM 574 C ASN A 35 5.286 8.378 7.642 1.00 0.00 C ATOM 575 O ASN A 35 5.396 9.590 7.825 1.00 0.00 O ATOM 576 CB ASN A 35 3.310 7.053 8.429 1.00 0.00 C ATOM 577 CG ASN A 35 1.848 7.409 8.605 1.00 0.00 C ATOM 578 OD1 ASN A 35 0.974 6.828 7.959 1.00 0.00 O ATOM 579 ND2 ASN A 35 1.571 8.369 9.482 1.00 0.00 N ATOM 0 H ASN A 35 4.093 5.858 6.385 1.00 0.00 H new ATOM 0 HA ASN A 35 3.291 8.576 6.909 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.405 5.975 8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.856 7.312 9.336 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.604 8.651 9.641 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.326 8.824 9.996 1.00 0.00 H new ATOM 586 N ALA A 36 6.297 7.531 7.787 1.00 0.00 N ATOM 587 CA ALA A 36 7.624 7.984 8.181 1.00 0.00 C ATOM 588 C ALA A 36 8.366 8.624 7.011 1.00 0.00 C ATOM 589 O ALA A 36 8.851 9.749 7.111 1.00 0.00 O ATOM 590 CB ALA A 36 8.432 6.827 8.747 1.00 0.00 C ATOM 0 H ALA A 36 6.223 6.525 7.637 1.00 0.00 H new ATOM 0 HA ALA A 36 7.500 8.743 8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.421 7.181 9.037 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.922 6.420 9.620 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.533 6.049 7.990 1.00 0.00 H new ATOM 596 N LYS A 37 8.456 7.895 5.902 1.00 0.00 N ATOM 597 CA LYS A 37 9.143 8.390 4.715 1.00 0.00 C ATOM 598 C LYS A 37 8.538 9.701 4.227 1.00 0.00 C ATOM 599 O LYS A 37 9.160 10.761 4.331 1.00 0.00 O ATOM 600 CB LYS A 37 9.096 7.344 3.600 1.00 0.00 C ATOM 601 CG LYS A 37 9.611 5.979 4.024 1.00 0.00 C ATOM 602 CD LYS A 37 11.042 5.748 3.558 1.00 0.00 C ATOM 603 CE LYS A 37 11.996 5.604 4.732 1.00 0.00 C ATOM 604 NZ LYS A 37 12.261 6.906 5.400 1.00 0.00 N ATOM 0 H LYS A 37 8.062 6.960 5.802 1.00 0.00 H new ATOM 0 HA LYS A 37 10.182 8.579 4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.068 7.243 3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.686 7.699 2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.563 5.893 5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.965 5.203 3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.084 4.850 2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.360 6.580 2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.577 4.904 5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.937 5.177 4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.122 6.831 5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.391 7.645 4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.456 7.154 6.009 1.00 0.00 H new ATOM 618 N THR A 38 7.323 9.630 3.689 1.00 0.00 N ATOM 619 CA THR A 38 6.641 10.815 3.183 1.00 0.00 C ATOM 620 C THR A 38 5.534 11.259 4.145 1.00 0.00 C ATOM 621 O THR A 38 5.577 10.939 5.332 1.00 0.00 O ATOM 622 CB THR A 38 6.060 10.532 1.793 1.00 0.00 C ATOM 623 OG1 THR A 38 4.888 9.742 1.891 1.00 0.00 O ATOM 624 CG2 THR A 38 7.023 9.812 0.875 1.00 0.00 C ATOM 0 H THR A 38 6.792 8.764 3.593 1.00 0.00 H new ATOM 0 HA THR A 38 7.366 11.625 3.105 1.00 0.00 H new ATOM 0 HB THR A 38 5.843 11.512 1.367 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.878 9.277 2.754 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.548 9.644 -0.091 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.918 10.419 0.738 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.298 8.854 1.316 1.00 0.00 H new ATOM 632 N VAL A 39 4.550 11.996 3.630 1.00 0.00 N ATOM 633 CA VAL A 39 3.446 12.474 4.455 1.00 0.00 C ATOM 634 C VAL A 39 2.238 11.551 4.347 1.00 0.00 C ATOM 635 O VAL A 39 2.233 10.611 3.553 1.00 0.00 O ATOM 636 CB VAL A 39 3.024 13.901 4.058 1.00 0.00 C ATOM 637 CG1 VAL A 39 4.131 14.895 4.376 1.00 0.00 C ATOM 638 CG2 VAL A 39 2.653 13.958 2.584 1.00 0.00 C ATOM 0 H VAL A 39 4.497 12.273 2.650 1.00 0.00 H new ATOM 0 HA VAL A 39 3.803 12.482 5.485 1.00 0.00 H new ATOM 0 HB VAL A 39 2.145 14.175 4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.814 15.897 4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.343 14.874 5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.031 14.627 3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.358 14.974 2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.512 13.663 1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.823 13.278 2.391 1.00 0.00 H new ATOM 648 N GLU A 40 1.216 11.828 5.147 1.00 0.00 N ATOM 649 CA GLU A 40 0.001 11.024 5.143 1.00 0.00 C ATOM 650 C GLU A 40 -1.117 11.724 4.381 1.00 0.00 C ATOM 651 O GLU A 40 -1.323 12.927 4.526 1.00 0.00 O ATOM 652 CB GLU A 40 -0.448 10.733 6.577 1.00 0.00 C ATOM 653 CG GLU A 40 -0.837 11.978 7.356 1.00 0.00 C ATOM 654 CD GLU A 40 -1.191 11.673 8.797 1.00 0.00 C ATOM 655 OE1 GLU A 40 -0.653 10.694 9.349 1.00 0.00 O ATOM 656 OE2 GLU A 40 -2.011 12.418 9.376 1.00 0.00 O ATOM 0 H GLU A 40 1.205 12.605 5.808 1.00 0.00 H new ATOM 0 HA GLU A 40 0.223 10.083 4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.297 10.050 6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.357 10.221 7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.013 12.691 7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.687 12.456 6.870 1.00 0.00 H new ATOM 663 N GLY A 41 -1.838 10.960 3.566 1.00 0.00 N ATOM 664 CA GLY A 41 -2.928 11.516 2.790 1.00 0.00 C ATOM 665 C GLY A 41 -3.995 10.489 2.477 1.00 0.00 C ATOM 666 O GLY A 41 -4.265 9.601 3.287 1.00 0.00 O ATOM 0 H GLY A 41 -1.684 9.961 3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.375 12.345 3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.536 11.924 1.859 1.00 0.00 H new ATOM 670 N VAL A 42 -4.604 10.602 1.300 1.00 0.00 N ATOM 671 CA VAL A 42 -5.639 9.662 0.892 1.00 0.00 C ATOM 672 C VAL A 42 -5.077 8.256 0.815 1.00 0.00 C ATOM 673 O VAL A 42 -3.866 8.072 0.718 1.00 0.00 O ATOM 674 CB VAL A 42 -6.244 10.045 -0.469 1.00 0.00 C ATOM 675 CG1 VAL A 42 -5.176 10.049 -1.540 1.00 0.00 C ATOM 676 CG2 VAL A 42 -7.386 9.107 -0.836 1.00 0.00 C ATOM 0 H VAL A 42 -4.399 11.331 0.617 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.428 9.700 1.644 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.652 11.053 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.621 10.322 -2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.403 10.772 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.733 9.056 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.799 9.397 -1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.013 8.084 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.165 9.167 -0.076 1.00 0.00 H new ATOM 686 N TRP A 43 -5.954 7.264 0.879 1.00 0.00 N ATOM 687 CA TRP A 43 -5.528 5.874 0.836 1.00 0.00 C ATOM 688 C TRP A 43 -6.363 5.062 -0.148 1.00 0.00 C ATOM 689 O TRP A 43 -7.586 5.191 -0.199 1.00 0.00 O ATOM 690 CB TRP A 43 -5.628 5.267 2.234 1.00 0.00 C ATOM 691 CG TRP A 43 -4.380 5.426 3.044 1.00 0.00 C ATOM 692 CD1 TRP A 43 -4.064 6.464 3.874 1.00 0.00 C ATOM 693 CD2 TRP A 43 -3.278 4.517 3.102 1.00 0.00 C ATOM 694 NE1 TRP A 43 -2.830 6.254 4.443 1.00 0.00 N ATOM 695 CE2 TRP A 43 -2.328 5.064 3.984 1.00 0.00 C ATOM 696 CE3 TRP A 43 -3.008 3.294 2.491 1.00 0.00 C ATOM 697 CZ2 TRP A 43 -1.124 4.425 4.267 1.00 0.00 C ATOM 698 CZ3 TRP A 43 -1.814 2.657 2.771 1.00 0.00 C ATOM 699 CH2 TRP A 43 -0.885 3.224 3.653 1.00 0.00 C ATOM 0 H TRP A 43 -6.962 7.396 0.961 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.493 5.845 0.494 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.458 5.733 2.765 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.861 4.206 2.145 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.692 7.324 4.057 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.364 6.881 5.099 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.720 2.851 1.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.405 4.860 4.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.594 1.709 2.303 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.040 2.703 3.853 1.00 0.00 H new ATOM 710 N THR A 44 -5.688 4.219 -0.922 1.00 0.00 N ATOM 711 CA THR A 44 -6.354 3.372 -1.905 1.00 0.00 C ATOM 712 C THR A 44 -5.648 2.025 -2.003 1.00 0.00 C ATOM 713 O THR A 44 -4.456 1.918 -1.716 1.00 0.00 O ATOM 714 CB THR A 44 -6.377 4.056 -3.274 1.00 0.00 C ATOM 715 OG1 THR A 44 -6.057 5.431 -3.157 1.00 0.00 O ATOM 716 CG2 THR A 44 -7.719 3.954 -3.967 1.00 0.00 C ATOM 0 H THR A 44 -4.675 4.104 -0.887 1.00 0.00 H new ATOM 0 HA THR A 44 -7.382 3.209 -1.581 1.00 0.00 H new ATOM 0 HB THR A 44 -5.633 3.530 -3.872 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.124 5.527 -2.872 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.669 4.458 -4.932 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.971 2.905 -4.119 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.484 4.426 -3.350 1.00 0.00 H new ATOM 724 N TYR A 45 -6.385 0.995 -2.400 1.00 0.00 N ATOM 725 CA TYR A 45 -5.816 -0.342 -2.523 1.00 0.00 C ATOM 726 C TYR A 45 -6.138 -0.961 -3.879 1.00 0.00 C ATOM 727 O TYR A 45 -7.193 -0.700 -4.460 1.00 0.00 O ATOM 728 CB TYR A 45 -6.337 -1.244 -1.404 1.00 0.00 C ATOM 729 CG TYR A 45 -5.680 -2.606 -1.371 1.00 0.00 C ATOM 730 CD1 TYR A 45 -4.403 -2.767 -0.850 1.00 0.00 C ATOM 731 CD2 TYR A 45 -6.340 -3.728 -1.859 1.00 0.00 C ATOM 732 CE1 TYR A 45 -3.799 -4.011 -0.820 1.00 0.00 C ATOM 733 CE2 TYR A 45 -5.743 -4.972 -1.830 1.00 0.00 C ATOM 734 CZ TYR A 45 -4.472 -5.109 -1.310 1.00 0.00 C ATOM 735 OH TYR A 45 -3.876 -6.349 -1.279 1.00 0.00 O ATOM 0 H TYR A 45 -7.374 1.059 -2.641 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.733 -0.251 -2.439 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.178 -0.749 -0.446 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.413 -1.371 -1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.874 -1.909 -0.463 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.335 -3.625 -2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.804 -4.121 -0.414 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.268 -5.835 -2.213 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.485 -7.014 -1.662 1.00 0.00 H new ATOM 745 N LYS A 46 -5.221 -1.786 -4.374 1.00 0.00 N ATOM 746 CA LYS A 46 -5.399 -2.452 -5.658 1.00 0.00 C ATOM 747 C LYS A 46 -5.448 -3.966 -5.472 1.00 0.00 C ATOM 748 O LYS A 46 -4.526 -4.561 -4.911 1.00 0.00 O ATOM 749 CB LYS A 46 -4.265 -2.076 -6.615 1.00 0.00 C ATOM 750 CG LYS A 46 -4.714 -1.194 -7.770 1.00 0.00 C ATOM 751 CD LYS A 46 -4.982 0.230 -7.311 1.00 0.00 C ATOM 752 CE LYS A 46 -5.104 1.182 -8.485 1.00 0.00 C ATOM 753 NZ LYS A 46 -6.523 1.424 -8.853 1.00 0.00 N ATOM 0 H LYS A 46 -4.344 -2.009 -3.903 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.345 -2.123 -6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.484 -1.560 -6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.821 -2.987 -7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.948 -1.190 -8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.617 -1.610 -8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.900 0.257 -6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.175 0.560 -6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.626 2.130 -8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.571 0.772 -9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.566 2.080 -9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.972 0.523 -9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.026 1.839 -8.043 1.00 0.00 H new ATOM 767 N ASP A 47 -6.530 -4.583 -5.940 1.00 0.00 N ATOM 768 CA ASP A 47 -6.699 -6.025 -5.820 1.00 0.00 C ATOM 769 C ASP A 47 -6.210 -6.750 -7.070 1.00 0.00 C ATOM 770 O ASP A 47 -6.669 -7.848 -7.374 1.00 0.00 O ATOM 771 CB ASP A 47 -8.168 -6.366 -5.565 1.00 0.00 C ATOM 772 CG ASP A 47 -8.768 -5.532 -4.448 1.00 0.00 C ATOM 773 OD1 ASP A 47 -8.749 -4.288 -4.560 1.00 0.00 O ATOM 774 OD2 ASP A 47 -9.258 -6.125 -3.462 1.00 0.00 O ATOM 0 H ASP A 47 -7.302 -4.105 -6.405 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.097 -6.360 -4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.739 -6.209 -6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.255 -7.423 -5.313 1.00 0.00 H new ATOM 779 N GLU A 48 -5.277 -6.133 -7.786 1.00 0.00 N ATOM 780 CA GLU A 48 -4.727 -6.726 -8.998 1.00 0.00 C ATOM 781 C GLU A 48 -3.469 -7.531 -8.674 1.00 0.00 C ATOM 782 O GLU A 48 -3.199 -8.553 -9.310 1.00 0.00 O ATOM 783 CB GLU A 48 -4.403 -5.637 -10.019 1.00 0.00 C ATOM 784 CG GLU A 48 -4.664 -6.062 -11.456 1.00 0.00 C ATOM 785 CD GLU A 48 -5.508 -5.057 -12.223 1.00 0.00 C ATOM 786 OE1 GLU A 48 -6.745 -5.067 -12.048 1.00 0.00 O ATOM 787 OE2 GLU A 48 -4.931 -4.263 -12.993 1.00 0.00 O ATOM 0 H GLU A 48 -4.886 -5.222 -7.547 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.472 -7.398 -9.423 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.998 -4.751 -9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.356 -5.352 -9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.712 -6.197 -11.969 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.167 -7.029 -11.459 1.00 0.00 H new ATOM 794 N THR A 49 -2.711 -7.062 -7.687 1.00 0.00 N ATOM 795 CA THR A 49 -1.485 -7.738 -7.285 1.00 0.00 C ATOM 796 C THR A 49 -1.019 -7.225 -5.926 1.00 0.00 C ATOM 797 O THR A 49 0.180 -7.167 -5.654 1.00 0.00 O ATOM 798 CB THR A 49 -0.387 -7.524 -8.326 1.00 0.00 C ATOM 799 OG1 THR A 49 -0.912 -7.637 -9.639 1.00 0.00 O ATOM 800 CG2 THR A 49 0.756 -8.507 -8.197 1.00 0.00 C ATOM 0 H THR A 49 -2.924 -6.219 -7.153 1.00 0.00 H new ATOM 0 HA THR A 49 -1.692 -8.806 -7.210 1.00 0.00 H new ATOM 0 HB THR A 49 -0.002 -6.521 -8.142 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.487 -8.429 -9.694 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.502 -8.301 -8.965 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.212 -8.407 -7.212 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.379 -9.522 -8.321 1.00 0.00 H new ATOM 808 N LYS A 50 -1.974 -6.854 -5.080 1.00 0.00 N ATOM 809 CA LYS A 50 -1.660 -6.346 -3.749 1.00 0.00 C ATOM 810 C LYS A 50 -0.812 -5.079 -3.843 1.00 0.00 C ATOM 811 O LYS A 50 0.417 -5.134 -3.759 1.00 0.00 O ATOM 812 CB LYS A 50 -0.919 -7.408 -2.934 1.00 0.00 C ATOM 813 CG LYS A 50 -1.845 -8.356 -2.188 1.00 0.00 C ATOM 814 CD LYS A 50 -1.124 -9.624 -1.771 1.00 0.00 C ATOM 815 CE LYS A 50 -2.100 -10.702 -1.329 1.00 0.00 C ATOM 816 NZ LYS A 50 -2.568 -11.531 -2.475 1.00 0.00 N ATOM 0 H LYS A 50 -2.971 -6.895 -5.292 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.597 -6.104 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.281 -7.987 -3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.264 -6.913 -2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.245 -7.856 -1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.694 -8.611 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.525 -9.993 -2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.435 -9.400 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.622 -11.343 -0.588 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.958 -10.238 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.232 -12.254 -2.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.047 -10.924 -3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.752 -11.995 -2.924 1.00 0.00 H new ATOM 830 N THR A 51 -1.473 -3.941 -4.022 1.00 0.00 N ATOM 831 CA THR A 51 -0.770 -2.667 -4.134 1.00 0.00 C ATOM 832 C THR A 51 -1.540 -1.544 -3.446 1.00 0.00 C ATOM 833 O THR A 51 -2.732 -1.353 -3.690 1.00 0.00 O ATOM 834 CB THR A 51 -0.542 -2.318 -5.606 1.00 0.00 C ATOM 835 OG1 THR A 51 0.220 -3.325 -6.249 1.00 0.00 O ATOM 836 CG2 THR A 51 0.177 -1.001 -5.807 1.00 0.00 C ATOM 0 H THR A 51 -2.488 -3.873 -4.092 1.00 0.00 H new ATOM 0 HA THR A 51 0.193 -2.772 -3.634 1.00 0.00 H new ATOM 0 HB THR A 51 -1.539 -2.239 -6.040 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.090 -3.265 -7.218 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.306 -0.816 -6.873 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.410 -0.195 -5.367 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.154 -1.043 -5.326 1.00 0.00 H new ATOM 844 N PHE A 52 -0.846 -0.798 -2.592 1.00 0.00 N ATOM 845 CA PHE A 52 -1.453 0.316 -1.875 1.00 0.00 C ATOM 846 C PHE A 52 -1.182 1.630 -2.603 1.00 0.00 C ATOM 847 O PHE A 52 -0.198 1.750 -3.332 1.00 0.00 O ATOM 848 CB PHE A 52 -0.912 0.390 -0.446 1.00 0.00 C ATOM 849 CG PHE A 52 -1.352 -0.754 0.425 1.00 0.00 C ATOM 850 CD1 PHE A 52 -0.748 -1.995 0.314 1.00 0.00 C ATOM 851 CD2 PHE A 52 -2.369 -0.586 1.352 1.00 0.00 C ATOM 852 CE1 PHE A 52 -1.148 -3.049 1.114 1.00 0.00 C ATOM 853 CE2 PHE A 52 -2.772 -1.635 2.154 1.00 0.00 C ATOM 854 CZ PHE A 52 -2.161 -2.868 2.035 1.00 0.00 C ATOM 0 H PHE A 52 0.141 -0.946 -2.380 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.530 0.152 -1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.177 0.412 -0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.236 1.327 0.008 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.044 -2.141 -0.405 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.851 0.376 1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.669 -4.012 1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.564 -1.492 2.874 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.475 -3.690 2.662 1.00 0.00 H new ATOM 864 N THR A 53 -2.057 2.611 -2.404 1.00 0.00 N ATOM 865 CA THR A 53 -1.897 3.908 -3.052 1.00 0.00 C ATOM 866 C THR A 53 -2.338 5.050 -2.141 1.00 0.00 C ATOM 867 O THR A 53 -3.528 5.234 -1.890 1.00 0.00 O ATOM 868 CB THR A 53 -2.694 3.947 -4.355 1.00 0.00 C ATOM 869 OG1 THR A 53 -2.590 2.714 -5.046 1.00 0.00 O ATOM 870 CG2 THR A 53 -2.248 5.044 -5.299 1.00 0.00 C ATOM 0 H THR A 53 -2.878 2.534 -1.804 1.00 0.00 H new ATOM 0 HA THR A 53 -0.837 4.041 -3.269 1.00 0.00 H new ATOM 0 HB THR A 53 -3.723 4.145 -4.056 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.109 2.760 -5.876 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.855 5.015 -6.204 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.367 6.013 -4.813 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.200 4.895 -5.560 1.00 0.00 H new ATOM 878 N VAL A 54 -1.367 5.819 -1.658 1.00 0.00 N ATOM 879 CA VAL A 54 -1.646 6.955 -0.785 1.00 0.00 C ATOM 880 C VAL A 54 -0.971 8.212 -1.323 1.00 0.00 C ATOM 881 O VAL A 54 0.195 8.183 -1.709 1.00 0.00 O ATOM 882 CB VAL A 54 -1.167 6.689 0.657 1.00 0.00 C ATOM 883 CG1 VAL A 54 0.274 6.204 0.657 1.00 0.00 C ATOM 884 CG2 VAL A 54 -1.319 7.934 1.530 1.00 0.00 C ATOM 0 H VAL A 54 -0.377 5.676 -1.857 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.726 7.100 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.796 5.907 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.596 6.021 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.347 5.280 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.913 6.963 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.973 7.715 2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.725 8.747 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.367 8.230 1.562 1.00 0.00 H new ATOM 894 N THR A 55 -1.708 9.314 -1.358 1.00 0.00 N ATOM 895 CA THR A 55 -1.159 10.567 -1.863 1.00 0.00 C ATOM 896 C THR A 55 -1.608 11.750 -1.015 1.00 0.00 C ATOM 897 O THR A 55 -2.647 11.697 -0.357 1.00 0.00 O ATOM 898 CB THR A 55 -1.581 10.778 -3.319 1.00 0.00 C ATOM 899 OG1 THR A 55 -1.403 12.130 -3.707 1.00 0.00 O ATOM 900 CG2 THR A 55 -3.021 10.411 -3.579 1.00 0.00 C ATOM 0 H THR A 55 -2.678 9.367 -1.046 1.00 0.00 H new ATOM 0 HA THR A 55 -0.072 10.504 -1.808 1.00 0.00 H new ATOM 0 HB THR A 55 -0.941 10.116 -3.903 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.513 12.435 -3.432 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.257 10.584 -4.629 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.177 9.359 -3.340 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.671 11.025 -2.956 1.00 0.00 H new ATOM 908 N GLU A 56 -0.817 12.821 -1.034 1.00 0.00 N ATOM 909 CA GLU A 56 -1.126 14.013 -0.267 1.00 0.00 C ATOM 910 C GLU A 56 -1.180 15.245 -1.171 1.00 0.00 C ATOM 911 O GLU A 56 -0.240 15.422 -1.974 1.00 0.00 O ATOM 912 CB GLU A 56 -0.094 14.221 0.842 1.00 0.00 C ATOM 913 CG GLU A 56 -0.575 15.131 1.960 1.00 0.00 C ATOM 914 CD GLU A 56 -0.124 16.566 1.779 1.00 0.00 C ATOM 915 OE1 GLU A 56 1.070 16.784 1.493 1.00 0.00 O ATOM 916 OE2 GLU A 56 -0.969 17.476 1.927 1.00 0.00 O ATOM 917 OXT GLU A 56 -2.156 16.016 -1.067 1.00 0.00 O ATOM 0 H GLU A 56 0.045 12.882 -1.576 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.107 13.875 0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.174 13.252 1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.813 14.641 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.664 15.099 2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.205 14.755 2.914 1.00 0.00 H new TER 924 GLU A 56