USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -45:sc= 0.0212 USER MOD Single : A 11 ASN : amide:sc= -0.315 K(o=-0.32,f=-3!) USER MOD Single : A 12 TYR OH : rot 15:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -176:sc= -1.73 USER MOD Single : A 17 LYS NZ :NH3+ -118:sc= -5.87! (180deg=-15.2!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 156:sc= -0.0692 (180deg=-0.465) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.7) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 35 HIS : no HD1:sc= -0.945 X(o=-0.95,f=-1.1) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -139:sc= -1.01 (180deg=-3.97!) USER MOD Single : A 54 ASN : amide:sc= -9.11! C(o=-9.1!,f=-23!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.0069) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -121:sc= -0.105 (180deg=-1.04) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.289 -15.170 -9.786 1.00 0.00 N ATOM 2 CA GLY A 1 5.372 -15.745 -8.819 1.00 0.00 C ATOM 3 C GLY A 1 5.848 -17.085 -8.294 1.00 0.00 C ATOM 4 O GLY A 1 5.422 -18.134 -8.776 1.00 0.00 O ATOM 0 H1 GLY A 1 5.919 -14.255 -10.114 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.218 -15.028 -9.341 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.388 -15.814 -10.596 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.249 -15.054 -7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.392 -15.866 -9.280 1.00 0.00 H new ATOM 8 N SER A 2 6.735 -17.050 -7.305 1.00 0.00 N ATOM 9 CA SER A 2 7.274 -18.272 -6.719 1.00 0.00 C ATOM 10 C SER A 2 6.151 -19.235 -6.343 1.00 0.00 C ATOM 11 O SER A 2 5.465 -19.045 -5.340 1.00 0.00 O ATOM 12 CB SER A 2 8.113 -17.942 -5.482 1.00 0.00 C ATOM 13 OG SER A 2 9.066 -18.959 -5.227 1.00 0.00 O ATOM 0 H SER A 2 7.096 -16.190 -6.893 1.00 0.00 H new ATOM 0 HA SER A 2 7.909 -18.753 -7.463 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.623 -16.990 -5.628 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.461 -17.825 -4.617 1.00 0.00 H new ATOM 0 HG SER A 2 9.591 -18.724 -4.433 1.00 0.00 H new ATOM 19 N SER A 3 5.971 -20.270 -7.158 1.00 0.00 N ATOM 20 CA SER A 3 4.931 -21.262 -6.915 1.00 0.00 C ATOM 21 C SER A 3 3.599 -20.586 -6.600 1.00 0.00 C ATOM 22 O SER A 3 2.945 -20.911 -5.610 1.00 0.00 O ATOM 23 CB SER A 3 5.333 -22.183 -5.762 1.00 0.00 C ATOM 24 OG SER A 3 4.628 -23.410 -5.819 1.00 0.00 O ATOM 0 H SER A 3 6.532 -20.443 -7.992 1.00 0.00 H new ATOM 0 HA SER A 3 4.813 -21.857 -7.821 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.405 -22.374 -5.802 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.133 -21.689 -4.811 1.00 0.00 H new ATOM 0 HG SER A 3 4.904 -23.981 -5.072 1.00 0.00 H new ATOM 30 N GLY A 4 3.205 -19.643 -7.450 1.00 0.00 N ATOM 31 CA GLY A 4 1.955 -18.936 -7.246 1.00 0.00 C ATOM 32 C GLY A 4 2.048 -17.471 -7.627 1.00 0.00 C ATOM 33 O GLY A 4 2.639 -16.671 -6.903 1.00 0.00 O ATOM 0 H GLY A 4 3.730 -19.356 -8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.171 -19.412 -7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.661 -19.018 -6.200 1.00 0.00 H new ATOM 37 N SER A 5 1.464 -17.120 -8.768 1.00 0.00 N ATOM 38 CA SER A 5 1.489 -15.743 -9.247 1.00 0.00 C ATOM 39 C SER A 5 0.485 -14.884 -8.484 1.00 0.00 C ATOM 40 O SER A 5 -0.490 -15.393 -7.932 1.00 0.00 O ATOM 41 CB SER A 5 1.181 -15.696 -10.745 1.00 0.00 C ATOM 42 OG SER A 5 -0.128 -16.170 -11.012 1.00 0.00 O ATOM 0 H SER A 5 0.968 -17.770 -9.378 1.00 0.00 H new ATOM 0 HA SER A 5 2.488 -15.343 -9.075 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.282 -14.673 -11.108 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.908 -16.300 -11.288 1.00 0.00 H new ATOM 0 HG SER A 5 -0.301 -16.128 -11.976 1.00 0.00 H new ATOM 48 N SER A 6 0.734 -13.579 -8.456 1.00 0.00 N ATOM 49 CA SER A 6 -0.145 -12.648 -7.757 1.00 0.00 C ATOM 50 C SER A 6 -0.948 -11.810 -8.748 1.00 0.00 C ATOM 51 O SER A 6 -2.177 -11.786 -8.705 1.00 0.00 O ATOM 52 CB SER A 6 0.671 -11.733 -6.842 1.00 0.00 C ATOM 53 OG SER A 6 1.325 -12.477 -5.829 1.00 0.00 O ATOM 0 H SER A 6 1.537 -13.142 -8.909 1.00 0.00 H new ATOM 0 HA SER A 6 -0.841 -13.229 -7.152 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.409 -11.188 -7.431 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.016 -10.991 -6.387 1.00 0.00 H new ATOM 0 HG SER A 6 1.841 -11.870 -5.259 1.00 0.00 H new ATOM 59 N GLY A 7 -0.241 -11.123 -9.641 1.00 0.00 N ATOM 60 CA GLY A 7 -0.903 -10.293 -10.631 1.00 0.00 C ATOM 61 C GLY A 7 0.056 -9.763 -11.678 1.00 0.00 C ATOM 62 O GLY A 7 1.243 -9.578 -11.407 1.00 0.00 O ATOM 0 H GLY A 7 0.777 -11.127 -9.696 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.687 -10.872 -11.120 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.390 -9.455 -10.131 1.00 0.00 H new ATOM 66 N THR A 8 -0.458 -9.518 -12.879 1.00 0.00 N ATOM 67 CA THR A 8 0.361 -9.009 -13.972 1.00 0.00 C ATOM 68 C THR A 8 -0.191 -7.692 -14.505 1.00 0.00 C ATOM 69 O THR A 8 0.392 -7.079 -15.400 1.00 0.00 O ATOM 70 CB THR A 8 0.448 -10.022 -15.128 1.00 0.00 C ATOM 71 OG1 THR A 8 1.643 -9.800 -15.885 1.00 0.00 O ATOM 72 CG2 THR A 8 -0.764 -9.908 -16.040 1.00 0.00 C ATOM 0 H THR A 8 -1.438 -9.664 -13.120 1.00 0.00 H new ATOM 0 HA THR A 8 1.360 -8.844 -13.568 1.00 0.00 H new ATOM 0 HB THR A 8 0.469 -11.025 -14.702 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.750 -8.840 -16.053 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.680 -10.633 -16.849 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.670 -10.106 -15.467 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.812 -8.902 -16.458 1.00 0.00 H new ATOM 80 N LEU A 9 -1.319 -7.260 -13.950 1.00 0.00 N ATOM 81 CA LEU A 9 -1.950 -6.014 -14.370 1.00 0.00 C ATOM 82 C LEU A 9 -1.516 -4.856 -13.478 1.00 0.00 C ATOM 83 O LEU A 9 -2.336 -4.035 -13.066 1.00 0.00 O ATOM 84 CB LEU A 9 -3.473 -6.155 -14.337 1.00 0.00 C ATOM 85 CG LEU A 9 -4.083 -7.093 -15.379 1.00 0.00 C ATOM 86 CD1 LEU A 9 -4.089 -8.525 -14.869 1.00 0.00 C ATOM 87 CD2 LEU A 9 -5.493 -6.647 -15.739 1.00 0.00 C ATOM 0 H LEU A 9 -1.815 -7.755 -13.208 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.633 -5.801 -15.391 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.764 -6.506 -13.347 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.912 -5.166 -14.466 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.470 -7.052 -16.279 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.527 -9.178 -15.624 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.067 -8.842 -14.663 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.678 -8.583 -13.954 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.911 -7.326 -16.482 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.117 -6.658 -14.846 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.462 -5.637 -16.148 1.00 0.00 H new ATOM 99 N ARG A 10 -0.221 -4.795 -13.185 1.00 0.00 N ATOM 100 CA ARG A 10 0.323 -3.737 -12.342 1.00 0.00 C ATOM 101 C ARG A 10 1.714 -3.326 -12.815 1.00 0.00 C ATOM 102 O ARG A 10 2.478 -4.149 -13.319 1.00 0.00 O ATOM 103 CB ARG A 10 0.383 -4.196 -10.884 1.00 0.00 C ATOM 104 CG ARG A 10 -0.973 -4.567 -10.306 1.00 0.00 C ATOM 105 CD ARG A 10 -0.885 -4.846 -8.814 1.00 0.00 C ATOM 106 NE ARG A 10 -2.196 -5.112 -8.229 1.00 0.00 N ATOM 107 CZ ARG A 10 -2.773 -6.309 -8.233 1.00 0.00 C ATOM 108 NH1 ARG A 10 -2.158 -7.343 -8.788 1.00 0.00 N ATOM 109 NH2 ARG A 10 -3.968 -6.472 -7.680 1.00 0.00 N ATOM 0 H ARG A 10 0.471 -5.466 -13.519 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.337 -2.873 -12.416 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.048 -5.057 -10.810 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.821 -3.402 -10.280 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.680 -3.757 -10.485 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.360 -5.447 -10.820 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.231 -5.701 -8.643 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.430 -3.992 -8.312 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.696 -4.337 -7.794 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.239 -7.221 -9.214 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.603 -8.261 -8.790 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.444 -5.678 -7.252 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.410 -7.391 -7.683 1.00 0.00 H new ATOM 123 N ASN A 11 2.037 -2.047 -12.650 1.00 0.00 N ATOM 124 CA ASN A 11 3.336 -1.527 -13.061 1.00 0.00 C ATOM 125 C ASN A 11 3.938 -0.645 -11.971 1.00 0.00 C ATOM 126 O ASN A 11 3.888 0.582 -12.053 1.00 0.00 O ATOM 127 CB ASN A 11 3.202 -0.731 -14.360 1.00 0.00 C ATOM 128 CG ASN A 11 4.543 -0.464 -15.016 1.00 0.00 C ATOM 129 OD1 ASN A 11 5.582 -0.473 -14.355 1.00 0.00 O ATOM 130 ND2 ASN A 11 4.526 -0.224 -16.322 1.00 0.00 N ATOM 0 H ASN A 11 1.417 -1.352 -12.235 1.00 0.00 H new ATOM 0 HA ASN A 11 4.002 -2.373 -13.228 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.564 -1.278 -15.054 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.707 0.218 -14.152 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.398 -0.037 -16.818 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.641 -0.227 -16.830 1.00 0.00 H new ATOM 137 N TYR A 12 4.507 -1.280 -10.952 1.00 0.00 N ATOM 138 CA TYR A 12 5.118 -0.554 -9.845 1.00 0.00 C ATOM 139 C TYR A 12 6.258 0.332 -10.337 1.00 0.00 C ATOM 140 O TYR A 12 6.910 0.048 -11.342 1.00 0.00 O ATOM 141 CB TYR A 12 5.636 -1.532 -8.790 1.00 0.00 C ATOM 142 CG TYR A 12 4.565 -2.437 -8.225 1.00 0.00 C ATOM 143 CD1 TYR A 12 3.381 -1.914 -7.720 1.00 0.00 C ATOM 144 CD2 TYR A 12 4.737 -3.816 -8.196 1.00 0.00 C ATOM 145 CE1 TYR A 12 2.400 -2.738 -7.203 1.00 0.00 C ATOM 146 CE2 TYR A 12 3.760 -4.647 -7.682 1.00 0.00 C ATOM 147 CZ TYR A 12 2.594 -4.103 -7.186 1.00 0.00 C ATOM 148 OH TYR A 12 1.619 -4.927 -6.672 1.00 0.00 O ATOM 0 H TYR A 12 4.558 -2.295 -10.870 1.00 0.00 H new ATOM 0 HA TYR A 12 4.355 0.083 -9.397 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.423 -2.145 -9.230 1.00 0.00 H new ATOM 0 HB3 TYR A 12 6.090 -0.968 -7.975 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.225 -0.845 -7.732 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.650 -4.245 -8.582 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.486 -2.315 -6.814 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.909 -5.717 -7.669 1.00 0.00 H new ATOM 0 HH TYR A 12 0.780 -4.428 -6.587 1.00 0.00 H new ATOM 158 N PRO A 13 6.506 1.433 -9.612 1.00 0.00 N ATOM 159 CA PRO A 13 5.737 1.781 -8.413 1.00 0.00 C ATOM 160 C PRO A 13 4.309 2.202 -8.744 1.00 0.00 C ATOM 161 O PRO A 13 3.999 2.541 -9.887 1.00 0.00 O ATOM 162 CB PRO A 13 6.517 2.957 -7.820 1.00 0.00 C ATOM 163 CG PRO A 13 7.231 3.561 -8.980 1.00 0.00 C ATOM 164 CD PRO A 13 7.557 2.422 -9.905 1.00 0.00 C ATOM 0 HA PRO A 13 5.635 0.935 -7.734 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.849 3.677 -7.348 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.217 2.622 -7.055 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.607 4.302 -9.479 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.137 4.073 -8.657 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.536 2.734 -10.949 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.552 2.020 -9.713 1.00 0.00 H new ATOM 172 N LEU A 14 3.443 2.179 -7.737 1.00 0.00 N ATOM 173 CA LEU A 14 2.046 2.559 -7.920 1.00 0.00 C ATOM 174 C LEU A 14 1.521 3.307 -6.699 1.00 0.00 C ATOM 175 O LEU A 14 1.465 2.759 -5.598 1.00 0.00 O ATOM 176 CB LEU A 14 1.190 1.319 -8.181 1.00 0.00 C ATOM 177 CG LEU A 14 1.383 0.644 -9.539 1.00 0.00 C ATOM 178 CD1 LEU A 14 0.836 -0.775 -9.512 1.00 0.00 C ATOM 179 CD2 LEU A 14 0.712 1.455 -10.638 1.00 0.00 C ATOM 0 H LEU A 14 3.683 1.901 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 14 1.985 3.222 -8.783 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.399 0.587 -7.401 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.141 1.599 -8.083 1.00 0.00 H new ATOM 0 HG LEU A 14 2.451 0.596 -9.751 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.982 -1.240 -10.487 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.362 -1.353 -8.752 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.228 -0.750 -9.278 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.860 0.960 -11.598 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.355 1.535 -10.431 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.150 2.452 -10.673 1.00 0.00 H new ATOM 191 N THR A 15 1.133 4.562 -6.902 1.00 0.00 N ATOM 192 CA THR A 15 0.610 5.385 -5.818 1.00 0.00 C ATOM 193 C THR A 15 -0.853 5.063 -5.540 1.00 0.00 C ATOM 194 O THR A 15 -1.685 5.073 -6.448 1.00 0.00 O ATOM 195 CB THR A 15 0.741 6.886 -6.139 1.00 0.00 C ATOM 196 OG1 THR A 15 2.040 7.161 -6.676 1.00 0.00 O ATOM 197 CG2 THR A 15 0.514 7.728 -4.893 1.00 0.00 C ATOM 0 H THR A 15 1.171 5.031 -7.807 1.00 0.00 H new ATOM 0 HA THR A 15 1.204 5.157 -4.933 1.00 0.00 H new ATOM 0 HB THR A 15 -0.019 7.144 -6.876 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.114 8.117 -6.879 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.612 8.784 -5.145 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.486 7.539 -4.503 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.254 7.465 -4.137 1.00 0.00 H new ATOM 205 N CYS A 16 -1.162 4.777 -4.280 1.00 0.00 N ATOM 206 CA CYS A 16 -2.527 4.451 -3.882 1.00 0.00 C ATOM 207 C CYS A 16 -3.068 5.485 -2.900 1.00 0.00 C ATOM 208 O CYS A 16 -2.373 6.432 -2.532 1.00 0.00 O ATOM 209 CB CYS A 16 -2.578 3.058 -3.254 1.00 0.00 C ATOM 210 SG CYS A 16 -1.057 2.574 -2.405 1.00 0.00 S ATOM 0 H CYS A 16 -0.486 4.764 -3.516 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.152 4.462 -4.775 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.405 3.021 -2.545 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.794 2.328 -4.034 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.168 1.351 -1.979 1.00 0.00 H new ATOM 216 N LYS A 17 -4.315 5.298 -2.479 1.00 0.00 N ATOM 217 CA LYS A 17 -4.951 6.213 -1.540 1.00 0.00 C ATOM 218 C LYS A 17 -5.640 5.447 -0.415 1.00 0.00 C ATOM 219 O LYS A 17 -6.690 4.837 -0.619 1.00 0.00 O ATOM 220 CB LYS A 17 -5.967 7.097 -2.266 1.00 0.00 C ATOM 221 CG LYS A 17 -6.827 7.930 -1.332 1.00 0.00 C ATOM 222 CD LYS A 17 -6.204 9.290 -1.065 1.00 0.00 C ATOM 223 CE LYS A 17 -5.293 9.257 0.153 1.00 0.00 C ATOM 224 NZ LYS A 17 -3.887 8.932 -0.215 1.00 0.00 N ATOM 0 H LYS A 17 -4.905 4.520 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.176 6.843 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.436 7.762 -2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.614 6.467 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.817 8.062 -1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.962 7.399 -0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.634 9.608 -1.938 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.991 10.028 -0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.323 10.224 0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.663 8.517 0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.605 8.043 0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.814 8.827 -1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.259 9.699 0.100 1.00 0.00 H new ATOM 238 N VAL A 18 -5.044 5.484 0.772 1.00 0.00 N ATOM 239 CA VAL A 18 -5.602 4.795 1.930 1.00 0.00 C ATOM 240 C VAL A 18 -7.016 5.281 2.230 1.00 0.00 C ATOM 241 O VAL A 18 -7.215 6.420 2.652 1.00 0.00 O ATOM 242 CB VAL A 18 -4.725 4.997 3.180 1.00 0.00 C ATOM 243 CG1 VAL A 18 -5.396 4.397 4.406 1.00 0.00 C ATOM 244 CG2 VAL A 18 -3.346 4.392 2.966 1.00 0.00 C ATOM 0 H VAL A 18 -4.174 5.984 0.957 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.630 3.734 1.683 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.605 6.067 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.762 4.549 5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.359 4.882 4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.549 3.329 4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.740 4.544 3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.444 3.324 2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.865 4.874 2.115 1.00 0.00 H new ATOM 254 N VAL A 19 -7.994 4.409 2.010 1.00 0.00 N ATOM 255 CA VAL A 19 -9.391 4.749 2.258 1.00 0.00 C ATOM 256 C VAL A 19 -9.809 4.355 3.670 1.00 0.00 C ATOM 257 O VAL A 19 -10.656 5.006 4.282 1.00 0.00 O ATOM 258 CB VAL A 19 -10.325 4.058 1.247 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.434 4.881 -0.028 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.832 2.651 0.942 1.00 0.00 C ATOM 0 H VAL A 19 -7.846 3.462 1.661 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.479 5.829 2.143 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.319 3.983 1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.098 4.377 -0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.836 5.866 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.446 4.990 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.504 2.177 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.828 2.701 0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.810 2.066 1.861 1.00 0.00 H new ATOM 270 N TYR A 20 -9.209 3.286 4.183 1.00 0.00 N ATOM 271 CA TYR A 20 -9.521 2.804 5.523 1.00 0.00 C ATOM 272 C TYR A 20 -8.260 2.718 6.378 1.00 0.00 C ATOM 273 O TYR A 20 -7.294 2.048 6.014 1.00 0.00 O ATOM 274 CB TYR A 20 -10.196 1.434 5.451 1.00 0.00 C ATOM 275 CG TYR A 20 -11.563 1.465 4.805 1.00 0.00 C ATOM 276 CD1 TYR A 20 -12.698 1.757 5.551 1.00 0.00 C ATOM 277 CD2 TYR A 20 -11.719 1.202 3.450 1.00 0.00 C ATOM 278 CE1 TYR A 20 -13.949 1.786 4.966 1.00 0.00 C ATOM 279 CE2 TYR A 20 -12.966 1.230 2.856 1.00 0.00 C ATOM 280 CZ TYR A 20 -14.078 1.522 3.618 1.00 0.00 C ATOM 281 OH TYR A 20 -15.322 1.550 3.031 1.00 0.00 O ATOM 0 H TYR A 20 -8.504 2.737 3.691 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.205 3.514 5.987 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.555 0.752 4.893 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.289 1.031 6.459 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.601 1.965 6.606 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.851 0.972 2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.821 2.014 5.561 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.070 1.024 1.801 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.238 1.343 2.077 1.00 0.00 H new ATOM 291 N SER A 21 -8.278 3.402 7.518 1.00 0.00 N ATOM 292 CA SER A 21 -7.136 3.407 8.424 1.00 0.00 C ATOM 293 C SER A 21 -6.869 2.007 8.969 1.00 0.00 C ATOM 294 O SER A 21 -7.742 1.139 8.937 1.00 0.00 O ATOM 295 CB SER A 21 -7.381 4.378 9.581 1.00 0.00 C ATOM 296 OG SER A 21 -8.346 3.865 10.483 1.00 0.00 O ATOM 0 H SER A 21 -9.071 3.960 7.836 1.00 0.00 H new ATOM 0 HA SER A 21 -6.260 3.733 7.863 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.446 4.561 10.110 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.719 5.337 9.189 1.00 0.00 H new ATOM 0 HG SER A 21 -8.483 4.504 11.214 1.00 0.00 H new ATOM 302 N TYR A 22 -5.657 1.795 9.468 1.00 0.00 N ATOM 303 CA TYR A 22 -5.272 0.500 10.018 1.00 0.00 C ATOM 304 C TYR A 22 -4.002 0.619 10.855 1.00 0.00 C ATOM 305 O TYR A 22 -2.911 0.825 10.323 1.00 0.00 O ATOM 306 CB TYR A 22 -5.061 -0.513 8.892 1.00 0.00 C ATOM 307 CG TYR A 22 -4.404 -1.797 9.347 1.00 0.00 C ATOM 308 CD1 TYR A 22 -5.100 -2.723 10.113 1.00 0.00 C ATOM 309 CD2 TYR A 22 -3.087 -2.083 9.010 1.00 0.00 C ATOM 310 CE1 TYR A 22 -4.504 -3.897 10.532 1.00 0.00 C ATOM 311 CE2 TYR A 22 -2.482 -3.254 9.423 1.00 0.00 C ATOM 312 CZ TYR A 22 -3.195 -4.158 10.184 1.00 0.00 C ATOM 313 OH TYR A 22 -2.597 -5.326 10.598 1.00 0.00 O ATOM 0 H TYR A 22 -4.924 2.503 9.503 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.079 0.153 10.663 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.025 -0.748 8.441 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.448 -0.057 8.115 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.125 -2.522 10.386 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.526 -1.377 8.415 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.059 -4.606 11.128 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.457 -3.461 9.152 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.675 -5.356 10.268 1.00 0.00 H new ATOM 323 N LYS A 23 -4.153 0.487 12.168 1.00 0.00 N ATOM 324 CA LYS A 23 -3.020 0.577 13.082 1.00 0.00 C ATOM 325 C LYS A 23 -2.196 -0.707 13.055 1.00 0.00 C ATOM 326 O LYS A 23 -2.670 -1.768 13.460 1.00 0.00 O ATOM 327 CB LYS A 23 -3.507 0.853 14.506 1.00 0.00 C ATOM 328 CG LYS A 23 -2.410 0.763 15.552 1.00 0.00 C ATOM 329 CD LYS A 23 -1.645 2.070 15.673 1.00 0.00 C ATOM 330 CE LYS A 23 -2.345 3.041 16.612 1.00 0.00 C ATOM 331 NZ LYS A 23 -2.343 2.550 18.018 1.00 0.00 N ATOM 0 H LYS A 23 -5.050 0.317 12.624 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.387 1.402 12.755 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.952 1.848 14.543 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.295 0.142 14.756 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.847 0.506 16.517 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.721 -0.040 15.290 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.638 1.871 16.039 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.542 2.525 14.688 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.851 4.012 16.565 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.373 3.190 16.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.441 3.356 18.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.138 1.894 18.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.449 2.056 18.212 1.00 0.00 H new ATOM 345 N ALA A 24 -0.960 -0.602 12.577 1.00 0.00 N ATOM 346 CA ALA A 24 -0.070 -1.753 12.501 1.00 0.00 C ATOM 347 C ALA A 24 0.067 -2.432 13.860 1.00 0.00 C ATOM 348 O ALA A 24 0.223 -1.766 14.884 1.00 0.00 O ATOM 349 CB ALA A 24 1.296 -1.331 11.980 1.00 0.00 C ATOM 0 H ALA A 24 -0.553 0.269 12.237 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.505 -2.472 11.807 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.950 -2.201 11.929 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.188 -0.899 10.985 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.729 -0.591 12.653 1.00 0.00 H new ATOM 355 N SER A 25 0.006 -3.759 13.862 1.00 0.00 N ATOM 356 CA SER A 25 0.119 -4.528 15.097 1.00 0.00 C ATOM 357 C SER A 25 1.431 -5.305 15.135 1.00 0.00 C ATOM 358 O SER A 25 2.001 -5.529 16.202 1.00 0.00 O ATOM 359 CB SER A 25 -1.062 -5.491 15.232 1.00 0.00 C ATOM 360 OG SER A 25 -2.248 -4.798 15.581 1.00 0.00 O ATOM 0 H SER A 25 -0.121 -4.325 13.023 1.00 0.00 H new ATOM 0 HA SER A 25 0.107 -3.830 15.934 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.211 -6.023 14.292 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.839 -6.241 15.991 1.00 0.00 H new ATOM 0 HG SER A 25 -2.988 -5.435 15.659 1.00 0.00 H new ATOM 366 N GLN A 26 1.903 -5.714 13.962 1.00 0.00 N ATOM 367 CA GLN A 26 3.148 -6.468 13.860 1.00 0.00 C ATOM 368 C GLN A 26 4.340 -5.530 13.700 1.00 0.00 C ATOM 369 O GLN A 26 4.225 -4.425 13.171 1.00 0.00 O ATOM 370 CB GLN A 26 3.085 -7.440 12.681 1.00 0.00 C ATOM 371 CG GLN A 26 2.389 -8.751 13.009 1.00 0.00 C ATOM 372 CD GLN A 26 2.912 -9.386 14.282 1.00 0.00 C ATOM 373 OE1 GLN A 26 3.956 -10.040 14.280 1.00 0.00 O ATOM 374 NE2 GLN A 26 2.188 -9.197 15.379 1.00 0.00 N ATOM 0 H GLN A 26 1.443 -5.536 13.069 1.00 0.00 H new ATOM 0 HA GLN A 26 3.277 -7.035 14.782 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.565 -6.960 11.852 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.099 -7.652 12.341 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.318 -8.574 13.109 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.522 -9.446 12.180 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.329 -8.648 15.335 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.491 -9.601 16.266 1.00 0.00 H new ATOM 383 N PRO A 27 5.514 -5.981 14.166 1.00 0.00 N ATOM 384 CA PRO A 27 6.751 -5.197 14.086 1.00 0.00 C ATOM 385 C PRO A 27 7.260 -5.063 12.654 1.00 0.00 C ATOM 386 O PRO A 27 8.198 -4.313 12.387 1.00 0.00 O ATOM 387 CB PRO A 27 7.738 -6.006 14.931 1.00 0.00 C ATOM 388 CG PRO A 27 7.223 -7.402 14.883 1.00 0.00 C ATOM 389 CD PRO A 27 5.725 -7.289 14.808 1.00 0.00 C ATOM 0 HA PRO A 27 6.609 -4.174 14.434 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.749 -5.943 14.528 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.780 -5.635 15.955 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.618 -7.934 14.017 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.528 -7.961 15.767 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.290 -8.099 14.223 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.269 -7.330 15.797 1.00 0.00 H new ATOM 397 N ASP A 28 6.634 -5.795 11.738 1.00 0.00 N ATOM 398 CA ASP A 28 7.023 -5.756 10.333 1.00 0.00 C ATOM 399 C ASP A 28 5.907 -5.168 9.477 1.00 0.00 C ATOM 400 O ASP A 28 5.971 -5.202 8.248 1.00 0.00 O ATOM 401 CB ASP A 28 7.375 -7.161 9.841 1.00 0.00 C ATOM 402 CG ASP A 28 7.941 -8.035 10.942 1.00 0.00 C ATOM 403 OD1 ASP A 28 7.194 -8.350 11.892 1.00 0.00 O ATOM 404 OD2 ASP A 28 9.131 -8.405 10.854 1.00 0.00 O ATOM 0 H ASP A 28 5.856 -6.422 11.943 1.00 0.00 H new ATOM 0 HA ASP A 28 7.901 -5.117 10.241 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.483 -7.633 9.429 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.100 -7.088 9.030 1.00 0.00 H new ATOM 409 N GLU A 29 4.884 -4.629 10.134 1.00 0.00 N ATOM 410 CA GLU A 29 3.753 -4.035 9.431 1.00 0.00 C ATOM 411 C GLU A 29 3.956 -2.534 9.244 1.00 0.00 C ATOM 412 O GLU A 29 4.894 -1.950 9.788 1.00 0.00 O ATOM 413 CB GLU A 29 2.455 -4.294 10.199 1.00 0.00 C ATOM 414 CG GLU A 29 1.786 -5.610 9.838 1.00 0.00 C ATOM 415 CD GLU A 29 1.069 -5.553 8.503 1.00 0.00 C ATOM 416 OE1 GLU A 29 0.308 -4.588 8.280 1.00 0.00 O ATOM 417 OE2 GLU A 29 1.269 -6.473 7.683 1.00 0.00 O ATOM 0 H GLU A 29 4.816 -4.592 11.151 1.00 0.00 H new ATOM 0 HA GLU A 29 3.684 -4.500 8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.667 -4.285 11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.759 -3.477 10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.537 -6.399 9.809 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.073 -5.877 10.618 1.00 0.00 H new ATOM 424 N LEU A 30 3.070 -1.916 8.471 1.00 0.00 N ATOM 425 CA LEU A 30 3.151 -0.483 8.210 1.00 0.00 C ATOM 426 C LEU A 30 1.877 0.225 8.659 1.00 0.00 C ATOM 427 O LEU A 30 0.803 0.011 8.096 1.00 0.00 O ATOM 428 CB LEU A 30 3.392 -0.228 6.721 1.00 0.00 C ATOM 429 CG LEU A 30 4.176 1.038 6.375 1.00 0.00 C ATOM 430 CD1 LEU A 30 3.435 2.274 6.860 1.00 0.00 C ATOM 431 CD2 LEU A 30 5.573 0.981 6.977 1.00 0.00 C ATOM 0 H LEU A 30 2.288 -2.384 8.014 1.00 0.00 H new ATOM 0 HA LEU A 30 3.988 -0.082 8.781 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.924 -1.085 6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.425 -0.181 6.220 1.00 0.00 H new ATOM 0 HG LEU A 30 4.271 1.099 5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.008 3.165 6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.457 2.323 6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.308 2.221 7.941 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.117 1.890 6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.499 0.896 8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.105 0.116 6.581 1.00 0.00 H new ATOM 443 N THR A 31 2.003 1.071 9.677 1.00 0.00 N ATOM 444 CA THR A 31 0.862 1.812 10.201 1.00 0.00 C ATOM 445 C THR A 31 0.365 2.841 9.193 1.00 0.00 C ATOM 446 O THR A 31 1.073 3.792 8.861 1.00 0.00 O ATOM 447 CB THR A 31 1.216 2.529 11.518 1.00 0.00 C ATOM 448 OG1 THR A 31 1.750 1.591 12.459 1.00 0.00 O ATOM 449 CG2 THR A 31 -0.011 3.207 12.110 1.00 0.00 C ATOM 0 H THR A 31 2.884 1.260 10.155 1.00 0.00 H new ATOM 0 HA THR A 31 0.073 1.085 10.392 1.00 0.00 H new ATOM 0 HB THR A 31 1.965 3.291 11.302 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.974 2.055 13.293 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.262 3.707 13.039 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.398 3.941 11.403 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.778 2.459 12.312 1.00 0.00 H new ATOM 457 N ILE A 32 -0.857 2.645 8.709 1.00 0.00 N ATOM 458 CA ILE A 32 -1.450 3.558 7.740 1.00 0.00 C ATOM 459 C ILE A 32 -2.633 4.308 8.342 1.00 0.00 C ATOM 460 O ILE A 32 -3.092 3.985 9.438 1.00 0.00 O ATOM 461 CB ILE A 32 -1.919 2.812 6.477 1.00 0.00 C ATOM 462 CG1 ILE A 32 -3.096 1.893 6.809 1.00 0.00 C ATOM 463 CG2 ILE A 32 -0.771 2.015 5.876 1.00 0.00 C ATOM 464 CD1 ILE A 32 -3.761 1.297 5.587 1.00 0.00 C ATOM 0 H ILE A 32 -1.455 1.862 8.972 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.674 4.271 7.464 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.251 3.545 5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.746 1.086 7.452 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.837 2.455 7.378 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.118 1.493 4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.041 2.692 5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.412 1.288 6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.586 0.657 5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.142 2.098 4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.034 0.707 5.029 1.00 0.00 H new ATOM 476 N GLU A 33 -3.124 5.309 7.618 1.00 0.00 N ATOM 477 CA GLU A 33 -4.255 6.104 8.081 1.00 0.00 C ATOM 478 C GLU A 33 -4.988 6.744 6.906 1.00 0.00 C ATOM 479 O GLU A 33 -4.377 7.092 5.896 1.00 0.00 O ATOM 480 CB GLU A 33 -3.782 7.187 9.053 1.00 0.00 C ATOM 481 CG GLU A 33 -3.784 6.743 10.507 1.00 0.00 C ATOM 482 CD GLU A 33 -3.958 7.902 11.470 1.00 0.00 C ATOM 483 OE1 GLU A 33 -5.060 8.486 11.503 1.00 0.00 O ATOM 484 OE2 GLU A 33 -2.990 8.223 12.191 1.00 0.00 O ATOM 0 H GLU A 33 -2.756 5.588 6.709 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.946 5.439 8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.774 7.495 8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.423 8.062 8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.587 6.023 10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.848 6.229 10.728 1.00 0.00 H new ATOM 491 N GLU A 34 -6.301 6.896 7.047 1.00 0.00 N ATOM 492 CA GLU A 34 -7.117 7.494 5.997 1.00 0.00 C ATOM 493 C GLU A 34 -6.466 8.765 5.458 1.00 0.00 C ATOM 494 O GLU A 34 -5.858 9.530 6.208 1.00 0.00 O ATOM 495 CB GLU A 34 -8.517 7.810 6.526 1.00 0.00 C ATOM 496 CG GLU A 34 -9.600 7.740 5.462 1.00 0.00 C ATOM 497 CD GLU A 34 -10.991 7.616 6.053 1.00 0.00 C ATOM 498 OE1 GLU A 34 -11.596 8.662 6.369 1.00 0.00 O ATOM 499 OE2 GLU A 34 -11.474 6.474 6.199 1.00 0.00 O ATOM 0 H GLU A 34 -6.822 6.614 7.877 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.198 6.775 5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.760 7.111 7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.514 8.808 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.552 8.634 4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.409 6.888 4.810 1.00 0.00 H new ATOM 506 N HIS A 35 -6.597 8.982 4.153 1.00 0.00 N ATOM 507 CA HIS A 35 -6.021 10.160 3.513 1.00 0.00 C ATOM 508 C HIS A 35 -4.497 10.119 3.571 1.00 0.00 C ATOM 509 O HIS A 35 -3.854 11.111 3.913 1.00 0.00 O ATOM 510 CB HIS A 35 -6.535 11.434 4.186 1.00 0.00 C ATOM 511 CG HIS A 35 -7.976 11.360 4.586 1.00 0.00 C ATOM 512 ND1 HIS A 35 -8.417 11.634 5.864 1.00 0.00 N ATOM 513 CD2 HIS A 35 -9.079 11.043 3.869 1.00 0.00 C ATOM 514 CE1 HIS A 35 -9.729 11.487 5.915 1.00 0.00 C ATOM 515 NE2 HIS A 35 -10.155 11.129 4.718 1.00 0.00 N ATOM 0 H HIS A 35 -7.096 8.359 3.519 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.327 10.162 2.467 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.931 11.637 5.070 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.398 12.275 3.506 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.108 10.773 2.824 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.348 11.635 6.788 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.126 10.946 4.465 1.00 0.00 H new ATOM 524 N GLU A 36 -3.928 8.967 3.233 1.00 0.00 N ATOM 525 CA GLU A 36 -2.479 8.798 3.248 1.00 0.00 C ATOM 526 C GLU A 36 -1.980 8.266 1.908 1.00 0.00 C ATOM 527 O GLU A 36 -2.239 7.118 1.547 1.00 0.00 O ATOM 528 CB GLU A 36 -2.066 7.846 4.373 1.00 0.00 C ATOM 529 CG GLU A 36 -0.565 7.627 4.464 1.00 0.00 C ATOM 530 CD GLU A 36 0.158 8.798 5.100 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.138 9.952 4.728 1.00 0.00 O ATOM 532 OE2 GLU A 36 1.020 8.559 5.971 1.00 0.00 O ATOM 0 H GLU A 36 -4.447 8.137 2.946 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.027 9.774 3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.425 8.242 5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.557 6.884 4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.368 6.725 5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.165 7.458 3.464 1.00 0.00 H new ATOM 539 N VAL A 37 -1.261 9.110 1.174 1.00 0.00 N ATOM 540 CA VAL A 37 -0.724 8.726 -0.126 1.00 0.00 C ATOM 541 C VAL A 37 0.540 7.887 0.027 1.00 0.00 C ATOM 542 O VAL A 37 1.560 8.366 0.525 1.00 0.00 O ATOM 543 CB VAL A 37 -0.405 9.962 -0.988 1.00 0.00 C ATOM 544 CG1 VAL A 37 -0.064 9.547 -2.411 1.00 0.00 C ATOM 545 CG2 VAL A 37 -1.572 10.937 -0.974 1.00 0.00 C ATOM 0 H VAL A 37 -1.037 10.064 1.458 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.492 8.133 -0.623 1.00 0.00 H new ATOM 0 HB VAL A 37 0.464 10.465 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.158 10.433 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.806 8.890 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.911 9.020 -2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.329 11.804 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.460 10.447 -1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.764 11.260 0.049 1.00 0.00 H new ATOM 555 N LEU A 38 0.466 6.633 -0.404 1.00 0.00 N ATOM 556 CA LEU A 38 1.605 5.725 -0.315 1.00 0.00 C ATOM 557 C LEU A 38 2.070 5.299 -1.704 1.00 0.00 C ATOM 558 O LEU A 38 1.455 5.651 -2.710 1.00 0.00 O ATOM 559 CB LEU A 38 1.237 4.493 0.513 1.00 0.00 C ATOM 560 CG LEU A 38 0.551 4.765 1.852 1.00 0.00 C ATOM 561 CD1 LEU A 38 -0.313 3.581 2.259 1.00 0.00 C ATOM 562 CD2 LEU A 38 1.584 5.069 2.928 1.00 0.00 C ATOM 0 H LEU A 38 -0.370 6.221 -0.819 1.00 0.00 H new ATOM 0 HA LEU A 38 2.423 6.253 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.582 3.860 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.146 3.923 0.703 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.093 5.637 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.793 3.792 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.076 3.409 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.310 2.692 2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.078 5.260 3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.254 4.217 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.161 5.948 2.641 1.00 0.00 H new ATOM 574 N GLU A 39 3.158 4.536 -1.750 1.00 0.00 N ATOM 575 CA GLU A 39 3.704 4.061 -3.015 1.00 0.00 C ATOM 576 C GLU A 39 4.012 2.568 -2.948 1.00 0.00 C ATOM 577 O GLU A 39 4.914 2.140 -2.228 1.00 0.00 O ATOM 578 CB GLU A 39 4.972 4.838 -3.373 1.00 0.00 C ATOM 579 CG GLU A 39 5.392 4.683 -4.826 1.00 0.00 C ATOM 580 CD GLU A 39 6.398 5.733 -5.257 1.00 0.00 C ATOM 581 OE1 GLU A 39 7.285 6.073 -4.448 1.00 0.00 O ATOM 582 OE2 GLU A 39 6.297 6.213 -6.406 1.00 0.00 O ATOM 0 H GLU A 39 3.678 4.234 -0.926 1.00 0.00 H new ATOM 0 HA GLU A 39 2.955 4.226 -3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.812 5.895 -3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.786 4.503 -2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.821 3.692 -4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.510 4.746 -5.464 1.00 0.00 H new ATOM 589 N VAL A 40 3.255 1.779 -3.704 1.00 0.00 N ATOM 590 CA VAL A 40 3.446 0.334 -3.732 1.00 0.00 C ATOM 591 C VAL A 40 4.629 -0.048 -4.615 1.00 0.00 C ATOM 592 O VAL A 40 4.510 -0.100 -5.839 1.00 0.00 O ATOM 593 CB VAL A 40 2.185 -0.389 -4.241 1.00 0.00 C ATOM 594 CG1 VAL A 40 2.443 -1.883 -4.375 1.00 0.00 C ATOM 595 CG2 VAL A 40 1.008 -0.124 -3.314 1.00 0.00 C ATOM 0 H VAL A 40 2.503 2.117 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 40 3.646 0.022 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 40 1.936 0.002 -5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.541 -2.377 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.256 -2.050 -5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.718 -2.293 -3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.126 -0.643 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.244 -0.486 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.810 0.947 -3.274 1.00 0.00 H new ATOM 605 N ILE A 41 5.768 -0.313 -3.985 1.00 0.00 N ATOM 606 CA ILE A 41 6.972 -0.691 -4.714 1.00 0.00 C ATOM 607 C ILE A 41 7.040 -2.201 -4.918 1.00 0.00 C ATOM 608 O ILE A 41 7.705 -2.683 -5.834 1.00 0.00 O ATOM 609 CB ILE A 41 8.244 -0.227 -3.979 1.00 0.00 C ATOM 610 CG1 ILE A 41 8.328 -0.878 -2.598 1.00 0.00 C ATOM 611 CG2 ILE A 41 8.261 1.290 -3.858 1.00 0.00 C ATOM 612 CD1 ILE A 41 9.447 -0.331 -1.739 1.00 0.00 C ATOM 0 H ILE A 41 5.882 -0.273 -2.972 1.00 0.00 H new ATOM 0 HA ILE A 41 6.921 -0.197 -5.684 1.00 0.00 H new ATOM 0 HB ILE A 41 9.114 -0.536 -4.558 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.380 -0.735 -2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.466 -1.952 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.165 1.603 -3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.243 1.735 -4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.386 1.620 -3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.447 -0.838 -0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.402 -0.498 -2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.299 0.738 -1.587 1.00 0.00 H new ATOM 624 N GLU A 42 6.346 -2.941 -4.059 1.00 0.00 N ATOM 625 CA GLU A 42 6.327 -4.396 -4.147 1.00 0.00 C ATOM 626 C GLU A 42 4.954 -4.946 -3.770 1.00 0.00 C ATOM 627 O GLU A 42 4.176 -4.284 -3.082 1.00 0.00 O ATOM 628 CB GLU A 42 7.398 -4.998 -3.235 1.00 0.00 C ATOM 629 CG GLU A 42 8.743 -5.183 -3.915 1.00 0.00 C ATOM 630 CD GLU A 42 8.823 -6.472 -4.710 1.00 0.00 C ATOM 631 OE1 GLU A 42 8.035 -6.628 -5.667 1.00 0.00 O ATOM 632 OE2 GLU A 42 9.672 -7.324 -4.376 1.00 0.00 O ATOM 0 H GLU A 42 5.790 -2.557 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 42 6.540 -4.675 -5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.526 -4.354 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.050 -5.964 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.929 -4.339 -4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.531 -5.176 -3.162 1.00 0.00 H new ATOM 639 N ASP A 43 4.664 -6.160 -4.225 1.00 0.00 N ATOM 640 CA ASP A 43 3.386 -6.800 -3.936 1.00 0.00 C ATOM 641 C ASP A 43 3.441 -7.547 -2.606 1.00 0.00 C ATOM 642 O ASP A 43 2.683 -8.489 -2.381 1.00 0.00 O ATOM 643 CB ASP A 43 3.008 -7.764 -5.061 1.00 0.00 C ATOM 644 CG ASP A 43 4.209 -8.501 -5.620 1.00 0.00 C ATOM 645 OD1 ASP A 43 4.786 -9.335 -4.891 1.00 0.00 O ATOM 646 OD2 ASP A 43 4.572 -8.245 -6.787 1.00 0.00 O ATOM 0 H ASP A 43 5.297 -6.721 -4.796 1.00 0.00 H new ATOM 0 HA ASP A 43 2.626 -6.022 -3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.283 -8.487 -4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.521 -7.209 -5.863 1.00 0.00 H new ATOM 651 N GLY A 44 4.344 -7.119 -1.730 1.00 0.00 N ATOM 652 CA GLY A 44 4.482 -7.759 -0.434 1.00 0.00 C ATOM 653 C GLY A 44 4.757 -9.245 -0.548 1.00 0.00 C ATOM 654 O GLY A 44 4.949 -9.765 -1.648 1.00 0.00 O ATOM 0 H GLY A 44 4.983 -6.341 -1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.293 -7.284 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.570 -7.605 0.143 1.00 0.00 H new ATOM 658 N ASP A 45 4.779 -9.930 0.590 1.00 0.00 N ATOM 659 CA ASP A 45 5.034 -11.365 0.613 1.00 0.00 C ATOM 660 C ASP A 45 3.725 -12.149 0.633 1.00 0.00 C ATOM 661 O ASP A 45 3.659 -13.277 0.146 1.00 0.00 O ATOM 662 CB ASP A 45 5.882 -11.734 1.832 1.00 0.00 C ATOM 663 CG ASP A 45 5.047 -11.927 3.082 1.00 0.00 C ATOM 664 OD1 ASP A 45 4.383 -12.979 3.196 1.00 0.00 O ATOM 665 OD2 ASP A 45 5.057 -11.026 3.946 1.00 0.00 O ATOM 0 H ASP A 45 4.623 -9.514 1.508 1.00 0.00 H new ATOM 0 HA ASP A 45 5.580 -11.627 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.434 -12.650 1.623 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.619 -10.951 2.009 1.00 0.00 H new ATOM 670 N MET A 46 2.687 -11.544 1.200 1.00 0.00 N ATOM 671 CA MET A 46 1.380 -12.185 1.282 1.00 0.00 C ATOM 672 C MET A 46 0.535 -11.857 0.056 1.00 0.00 C ATOM 673 O MET A 46 0.789 -10.873 -0.638 1.00 0.00 O ATOM 674 CB MET A 46 0.651 -11.743 2.552 1.00 0.00 C ATOM 675 CG MET A 46 -0.298 -12.795 3.106 1.00 0.00 C ATOM 676 SD MET A 46 0.503 -13.900 4.284 1.00 0.00 S ATOM 677 CE MET A 46 0.376 -12.939 5.790 1.00 0.00 C ATOM 0 H MET A 46 2.725 -10.611 1.610 1.00 0.00 H new ATOM 0 HA MET A 46 1.534 -13.264 1.316 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.388 -11.492 3.315 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.089 -10.834 2.340 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.139 -12.300 3.592 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.705 -13.381 2.282 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.829 -13.491 6.613 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.895 -11.989 5.661 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.674 -12.751 6.014 1.00 0.00 H new ATOM 687 N GLU A 47 -0.470 -12.687 -0.204 1.00 0.00 N ATOM 688 CA GLU A 47 -1.352 -12.484 -1.348 1.00 0.00 C ATOM 689 C GLU A 47 -2.342 -11.355 -1.078 1.00 0.00 C ATOM 690 O GLU A 47 -2.722 -10.618 -1.988 1.00 0.00 O ATOM 691 CB GLU A 47 -2.108 -13.774 -1.673 1.00 0.00 C ATOM 692 CG GLU A 47 -3.186 -14.119 -0.660 1.00 0.00 C ATOM 693 CD GLU A 47 -3.761 -15.507 -0.869 1.00 0.00 C ATOM 694 OE1 GLU A 47 -3.004 -16.490 -0.731 1.00 0.00 O ATOM 695 OE2 GLU A 47 -4.969 -15.608 -1.170 1.00 0.00 O ATOM 0 H GLU A 47 -0.694 -13.506 0.361 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.737 -12.207 -2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.564 -13.679 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.397 -14.598 -1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.770 -14.050 0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.988 -13.384 -0.724 1.00 0.00 H new ATOM 702 N ASP A 48 -2.756 -11.227 0.178 1.00 0.00 N ATOM 703 CA ASP A 48 -3.702 -10.189 0.569 1.00 0.00 C ATOM 704 C ASP A 48 -2.979 -9.010 1.214 1.00 0.00 C ATOM 705 O ASP A 48 -3.551 -8.292 2.034 1.00 0.00 O ATOM 706 CB ASP A 48 -4.744 -10.755 1.535 1.00 0.00 C ATOM 707 CG ASP A 48 -5.861 -9.772 1.823 1.00 0.00 C ATOM 708 OD1 ASP A 48 -6.564 -9.378 0.869 1.00 0.00 O ATOM 709 OD2 ASP A 48 -6.033 -9.396 3.002 1.00 0.00 O ATOM 0 H ASP A 48 -2.451 -11.829 0.943 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.207 -9.835 -0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -5.167 -11.668 1.115 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.256 -11.031 2.470 1.00 0.00 H new ATOM 714 N TRP A 49 -1.720 -8.819 0.839 1.00 0.00 N ATOM 715 CA TRP A 49 -0.918 -7.728 1.382 1.00 0.00 C ATOM 716 C TRP A 49 0.141 -7.280 0.382 1.00 0.00 C ATOM 717 O TRP A 49 0.590 -8.064 -0.455 1.00 0.00 O ATOM 718 CB TRP A 49 -0.253 -8.159 2.690 1.00 0.00 C ATOM 719 CG TRP A 49 -1.211 -8.754 3.677 1.00 0.00 C ATOM 720 CD1 TRP A 49 -1.921 -9.913 3.534 1.00 0.00 C ATOM 721 CD2 TRP A 49 -1.567 -8.219 4.956 1.00 0.00 C ATOM 722 NE1 TRP A 49 -2.696 -10.130 4.647 1.00 0.00 N ATOM 723 CE2 TRP A 49 -2.496 -9.106 5.535 1.00 0.00 C ATOM 724 CE3 TRP A 49 -1.189 -7.079 5.670 1.00 0.00 C ATOM 725 CZ2 TRP A 49 -3.051 -8.885 6.792 1.00 0.00 C ATOM 726 CZ3 TRP A 49 -1.741 -6.861 6.918 1.00 0.00 C ATOM 727 CH2 TRP A 49 -2.664 -7.760 7.469 1.00 0.00 C ATOM 0 H TRP A 49 -1.232 -9.405 0.161 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.582 -6.886 1.580 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.528 -8.886 2.469 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.234 -7.296 3.143 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.879 -10.563 2.672 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.319 -10.925 4.789 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -0.478 -6.381 5.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.762 -9.577 7.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.456 -5.983 7.478 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.078 -7.561 8.447 1.00 0.00 H new ATOM 738 N VAL A 50 0.538 -6.015 0.473 1.00 0.00 N ATOM 739 CA VAL A 50 1.547 -5.464 -0.424 1.00 0.00 C ATOM 740 C VAL A 50 2.555 -4.613 0.339 1.00 0.00 C ATOM 741 O VAL A 50 2.391 -4.356 1.532 1.00 0.00 O ATOM 742 CB VAL A 50 0.905 -4.608 -1.532 1.00 0.00 C ATOM 743 CG1 VAL A 50 0.088 -5.480 -2.475 1.00 0.00 C ATOM 744 CG2 VAL A 50 0.043 -3.511 -0.926 1.00 0.00 C ATOM 0 H VAL A 50 0.176 -5.352 1.159 1.00 0.00 H new ATOM 0 HA VAL A 50 2.061 -6.310 -0.880 1.00 0.00 H new ATOM 0 HB VAL A 50 1.700 -4.136 -2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.358 -4.858 -3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.737 -6.225 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.701 -5.982 -1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.403 -2.916 -1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.747 -3.960 -0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.660 -2.870 -0.296 1.00 0.00 H new ATOM 754 N LYS A 51 3.601 -4.177 -0.356 1.00 0.00 N ATOM 755 CA LYS A 51 4.637 -3.353 0.255 1.00 0.00 C ATOM 756 C LYS A 51 4.556 -1.916 -0.249 1.00 0.00 C ATOM 757 O LYS A 51 4.638 -1.664 -1.451 1.00 0.00 O ATOM 758 CB LYS A 51 6.021 -3.933 -0.046 1.00 0.00 C ATOM 759 CG LYS A 51 7.046 -3.652 1.040 1.00 0.00 C ATOM 760 CD LYS A 51 8.409 -4.220 0.679 1.00 0.00 C ATOM 761 CE LYS A 51 9.205 -4.591 1.921 1.00 0.00 C ATOM 762 NZ LYS A 51 9.987 -3.437 2.445 1.00 0.00 N ATOM 0 H LYS A 51 3.753 -4.381 -1.344 1.00 0.00 H new ATOM 0 HA LYS A 51 4.477 -3.351 1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.933 -5.011 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.381 -3.522 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.128 -2.576 1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.708 -4.085 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.282 -5.101 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.966 -3.488 0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.525 -4.950 2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.883 -5.412 1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.928 -3.763 2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.089 -2.720 1.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.490 -3.022 3.259 1.00 0.00 H new ATOM 776 N ALA A 52 4.396 -0.977 0.678 1.00 0.00 N ATOM 777 CA ALA A 52 4.308 0.435 0.328 1.00 0.00 C ATOM 778 C ALA A 52 5.126 1.291 1.289 1.00 0.00 C ATOM 779 O ALA A 52 5.383 0.893 2.425 1.00 0.00 O ATOM 780 CB ALA A 52 2.855 0.888 0.322 1.00 0.00 C ATOM 0 H ALA A 52 4.325 -1.169 1.677 1.00 0.00 H new ATOM 0 HA ALA A 52 4.721 0.562 -0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.804 1.945 0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.295 0.305 -0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.423 0.739 1.312 1.00 0.00 H new ATOM 786 N ARG A 53 5.534 2.468 0.825 1.00 0.00 N ATOM 787 CA ARG A 53 6.325 3.379 1.643 1.00 0.00 C ATOM 788 C ARG A 53 5.558 4.670 1.916 1.00 0.00 C ATOM 789 O ARG A 53 4.973 5.259 1.008 1.00 0.00 O ATOM 790 CB ARG A 53 7.652 3.698 0.952 1.00 0.00 C ATOM 791 CG ARG A 53 8.383 4.886 1.555 1.00 0.00 C ATOM 792 CD ARG A 53 9.591 5.279 0.720 1.00 0.00 C ATOM 793 NE ARG A 53 9.899 6.702 0.838 1.00 0.00 N ATOM 794 CZ ARG A 53 10.931 7.283 0.237 1.00 0.00 C ATOM 795 NH1 ARG A 53 11.751 6.567 -0.520 1.00 0.00 N ATOM 796 NH2 ARG A 53 11.145 8.583 0.394 1.00 0.00 N ATOM 0 H ARG A 53 5.330 2.813 -0.113 1.00 0.00 H new ATOM 0 HA ARG A 53 6.528 2.889 2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.298 2.821 1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.464 3.896 -0.103 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.701 5.733 1.632 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.703 4.642 2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.455 4.694 1.035 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.404 5.034 -0.326 1.00 0.00 H new ATOM 0 HE ARG A 53 9.288 7.281 1.414 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.590 5.567 -0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.543 7.016 -0.980 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.517 9.137 0.976 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.938 9.029 -0.068 1.00 0.00 H new ATOM 810 N ASN A 54 5.567 5.104 3.172 1.00 0.00 N ATOM 811 CA ASN A 54 4.871 6.324 3.564 1.00 0.00 C ATOM 812 C ASN A 54 5.789 7.537 3.440 1.00 0.00 C ATOM 813 O ASN A 54 6.972 7.405 3.125 1.00 0.00 O ATOM 814 CB ASN A 54 4.358 6.204 5.001 1.00 0.00 C ATOM 815 CG ASN A 54 5.312 5.432 5.893 1.00 0.00 C ATOM 816 OD1 ASN A 54 6.495 5.292 5.582 1.00 0.00 O ATOM 817 ND2 ASN A 54 4.799 4.926 7.008 1.00 0.00 N ATOM 0 H ASN A 54 6.048 4.629 3.936 1.00 0.00 H new ATOM 0 HA ASN A 54 4.023 6.461 2.893 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.205 7.201 5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.387 5.709 4.997 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.391 4.396 7.647 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.812 5.067 7.225 1.00 0.00 H new ATOM 824 N LYS A 55 5.235 8.719 3.689 1.00 0.00 N ATOM 825 CA LYS A 55 6.002 9.956 3.607 1.00 0.00 C ATOM 826 C LYS A 55 7.294 9.850 4.411 1.00 0.00 C ATOM 827 O LYS A 55 8.370 10.197 3.925 1.00 0.00 O ATOM 828 CB LYS A 55 5.166 11.132 4.117 1.00 0.00 C ATOM 829 CG LYS A 55 4.813 11.034 5.591 1.00 0.00 C ATOM 830 CD LYS A 55 3.649 11.943 5.948 1.00 0.00 C ATOM 831 CE LYS A 55 3.346 11.903 7.438 1.00 0.00 C ATOM 832 NZ LYS A 55 4.116 12.934 8.188 1.00 0.00 N ATOM 0 H LYS A 55 4.257 8.846 3.949 1.00 0.00 H new ATOM 0 HA LYS A 55 6.259 10.127 2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.714 12.058 3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.246 11.192 3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.559 10.003 5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.682 11.301 6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.880 12.966 5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.764 11.640 5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.279 12.060 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.584 10.915 7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.882 12.874 9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.135 12.769 8.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.870 13.879 7.831 1.00 0.00 H new ATOM 846 N VAL A 56 7.180 9.366 5.644 1.00 0.00 N ATOM 847 CA VAL A 56 8.339 9.212 6.515 1.00 0.00 C ATOM 848 C VAL A 56 9.399 8.327 5.867 1.00 0.00 C ATOM 849 O VAL A 56 10.579 8.407 6.204 1.00 0.00 O ATOM 850 CB VAL A 56 7.943 8.607 7.875 1.00 0.00 C ATOM 851 CG1 VAL A 56 7.131 9.604 8.687 1.00 0.00 C ATOM 852 CG2 VAL A 56 7.169 7.312 7.677 1.00 0.00 C ATOM 0 H VAL A 56 6.297 9.074 6.062 1.00 0.00 H new ATOM 0 HA VAL A 56 8.750 10.209 6.675 1.00 0.00 H new ATOM 0 HB VAL A 56 8.853 8.378 8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.860 9.159 9.644 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.724 10.502 8.859 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.225 9.867 8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.897 6.898 8.648 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.265 7.513 7.102 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.790 6.596 7.138 1.00 0.00 H new ATOM 862 N GLY A 57 8.968 7.483 4.934 1.00 0.00 N ATOM 863 CA GLY A 57 9.893 6.596 4.253 1.00 0.00 C ATOM 864 C GLY A 57 9.830 5.177 4.782 1.00 0.00 C ATOM 865 O GLY A 57 10.514 4.288 4.275 1.00 0.00 O ATOM 0 H GLY A 57 7.996 7.398 4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.670 6.593 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.908 6.978 4.366 1.00 0.00 H new ATOM 869 N GLN A 58 9.008 4.964 5.805 1.00 0.00 N ATOM 870 CA GLN A 58 8.862 3.643 6.404 1.00 0.00 C ATOM 871 C GLN A 58 8.169 2.683 5.442 1.00 0.00 C ATOM 872 O GLN A 58 7.095 2.979 4.919 1.00 0.00 O ATOM 873 CB GLN A 58 8.069 3.736 7.709 1.00 0.00 C ATOM 874 CG GLN A 58 8.920 4.109 8.912 1.00 0.00 C ATOM 875 CD GLN A 58 8.088 4.449 10.133 1.00 0.00 C ATOM 876 OE1 GLN A 58 7.423 3.584 10.705 1.00 0.00 O ATOM 877 NE2 GLN A 58 8.119 5.713 10.539 1.00 0.00 N ATOM 0 H GLN A 58 8.434 5.689 6.236 1.00 0.00 H new ATOM 0 HA GLN A 58 9.858 3.257 6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.277 4.475 7.591 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.585 2.778 7.900 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.587 3.281 9.151 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.549 4.962 8.657 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.684 6.397 10.035 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.578 6.000 11.355 1.00 0.00 H new ATOM 886 N VAL A 59 8.791 1.530 5.213 1.00 0.00 N ATOM 887 CA VAL A 59 8.234 0.526 4.315 1.00 0.00 C ATOM 888 C VAL A 59 7.868 -0.746 5.072 1.00 0.00 C ATOM 889 O VAL A 59 8.709 -1.347 5.739 1.00 0.00 O ATOM 890 CB VAL A 59 9.221 0.173 3.187 1.00 0.00 C ATOM 891 CG1 VAL A 59 8.550 -0.711 2.147 1.00 0.00 C ATOM 892 CG2 VAL A 59 9.772 1.439 2.547 1.00 0.00 C ATOM 0 H VAL A 59 9.681 1.269 5.637 1.00 0.00 H new ATOM 0 HA VAL A 59 7.333 0.957 3.878 1.00 0.00 H new ATOM 0 HB VAL A 59 10.054 -0.382 3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.263 -0.950 1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.208 -1.632 2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.697 -0.185 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.468 1.172 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.951 2.023 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.292 2.031 3.300 1.00 0.00 H new ATOM 902 N GLY A 60 6.607 -1.151 4.963 1.00 0.00 N ATOM 903 CA GLY A 60 6.151 -2.350 5.641 1.00 0.00 C ATOM 904 C GLY A 60 5.109 -3.108 4.843 1.00 0.00 C ATOM 905 O GLY A 60 5.061 -3.007 3.617 1.00 0.00 O ATOM 0 H GLY A 60 5.892 -0.670 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.003 -3.002 5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.734 -2.079 6.611 1.00 0.00 H new ATOM 909 N TYR A 61 4.272 -3.869 5.539 1.00 0.00 N ATOM 910 CA TYR A 61 3.228 -4.651 4.887 1.00 0.00 C ATOM 911 C TYR A 61 1.844 -4.121 5.251 1.00 0.00 C ATOM 912 O TYR A 61 1.589 -3.753 6.398 1.00 0.00 O ATOM 913 CB TYR A 61 3.342 -6.124 5.282 1.00 0.00 C ATOM 914 CG TYR A 61 4.633 -6.772 4.834 1.00 0.00 C ATOM 915 CD1 TYR A 61 5.056 -6.685 3.514 1.00 0.00 C ATOM 916 CD2 TYR A 61 5.430 -7.471 5.733 1.00 0.00 C ATOM 917 CE1 TYR A 61 6.234 -7.276 3.101 1.00 0.00 C ATOM 918 CE2 TYR A 61 6.611 -8.064 5.329 1.00 0.00 C ATOM 919 CZ TYR A 61 7.008 -7.964 4.012 1.00 0.00 C ATOM 920 OH TYR A 61 8.183 -8.553 3.605 1.00 0.00 O ATOM 0 H TYR A 61 4.296 -3.961 6.555 1.00 0.00 H new ATOM 0 HA TYR A 61 3.361 -4.560 3.809 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.260 -6.209 6.366 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.502 -6.672 4.855 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.453 -6.146 2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.121 -7.552 6.765 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.547 -7.200 2.070 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.220 -8.603 6.040 1.00 0.00 H new ATOM 0 HH TYR A 61 8.608 -8.996 4.368 1.00 0.00 H new ATOM 930 N VAL A 62 0.952 -4.087 4.266 1.00 0.00 N ATOM 931 CA VAL A 62 -0.407 -3.605 4.480 1.00 0.00 C ATOM 932 C VAL A 62 -1.399 -4.341 3.587 1.00 0.00 C ATOM 933 O VAL A 62 -1.069 -4.788 2.487 1.00 0.00 O ATOM 934 CB VAL A 62 -0.515 -2.093 4.212 1.00 0.00 C ATOM 935 CG1 VAL A 62 0.388 -1.316 5.158 1.00 0.00 C ATOM 936 CG2 VAL A 62 -0.173 -1.784 2.762 1.00 0.00 C ATOM 0 H VAL A 62 1.147 -4.388 3.311 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.650 -3.799 5.525 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.544 -1.782 4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.298 -0.249 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.092 -1.514 6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.422 -1.627 5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.254 -0.711 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.846 -2.109 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.865 -2.310 2.105 1.00 0.00 H new ATOM 946 N PRO A 63 -2.644 -4.473 4.067 1.00 0.00 N ATOM 947 CA PRO A 63 -3.710 -5.153 3.327 1.00 0.00 C ATOM 948 C PRO A 63 -4.161 -4.365 2.102 1.00 0.00 C ATOM 949 O PRO A 63 -4.578 -3.212 2.214 1.00 0.00 O ATOM 950 CB PRO A 63 -4.846 -5.249 4.349 1.00 0.00 C ATOM 951 CG PRO A 63 -4.600 -4.124 5.295 1.00 0.00 C ATOM 952 CD PRO A 63 -3.107 -3.965 5.370 1.00 0.00 C ATOM 0 HA PRO A 63 -3.384 -6.118 2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.820 -5.156 3.868 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.835 -6.209 4.864 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.073 -3.207 4.943 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.019 -4.341 6.277 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.821 -2.924 5.520 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.683 -4.535 6.197 1.00 0.00 H new ATOM 960 N GLU A 64 -4.074 -4.993 0.934 1.00 0.00 N ATOM 961 CA GLU A 64 -4.473 -4.348 -0.311 1.00 0.00 C ATOM 962 C GLU A 64 -5.916 -3.858 -0.232 1.00 0.00 C ATOM 963 O GLU A 64 -6.313 -2.942 -0.952 1.00 0.00 O ATOM 964 CB GLU A 64 -4.315 -5.316 -1.486 1.00 0.00 C ATOM 965 CG GLU A 64 -4.164 -4.623 -2.829 1.00 0.00 C ATOM 966 CD GLU A 64 -4.137 -5.599 -3.990 1.00 0.00 C ATOM 967 OE1 GLU A 64 -3.048 -6.131 -4.291 1.00 0.00 O ATOM 968 OE2 GLU A 64 -5.203 -5.829 -4.597 1.00 0.00 O ATOM 0 H GLU A 64 -3.731 -5.947 0.824 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.823 -3.487 -0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.443 -5.946 -1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.183 -5.975 -1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.988 -3.923 -2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.245 -4.037 -2.830 1.00 0.00 H new ATOM 975 N LYS A 65 -6.697 -4.475 0.648 1.00 0.00 N ATOM 976 CA LYS A 65 -8.096 -4.103 0.823 1.00 0.00 C ATOM 977 C LYS A 65 -8.219 -2.658 1.296 1.00 0.00 C ATOM 978 O LYS A 65 -9.113 -1.928 0.865 1.00 0.00 O ATOM 979 CB LYS A 65 -8.772 -5.039 1.828 1.00 0.00 C ATOM 980 CG LYS A 65 -8.621 -6.511 1.485 1.00 0.00 C ATOM 981 CD LYS A 65 -8.869 -7.394 2.696 1.00 0.00 C ATOM 982 CE LYS A 65 -10.331 -7.370 3.114 1.00 0.00 C ATOM 983 NZ LYS A 65 -10.618 -6.258 4.063 1.00 0.00 N ATOM 0 H LYS A 65 -6.385 -5.236 1.252 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.594 -4.195 -0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.352 -4.860 2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.833 -4.794 1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.321 -6.774 0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.618 -6.695 1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.572 -8.418 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.247 -7.058 3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.960 -7.265 2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.592 -8.321 3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.992 -6.648 4.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.742 -5.732 4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.321 -5.616 3.644 1.00 0.00 H new ATOM 997 N TYR A 66 -7.317 -2.251 2.182 1.00 0.00 N ATOM 998 CA TYR A 66 -7.326 -0.894 2.713 1.00 0.00 C ATOM 999 C TYR A 66 -6.555 0.054 1.799 1.00 0.00 C ATOM 1000 O TYR A 66 -6.186 1.159 2.200 1.00 0.00 O ATOM 1001 CB TYR A 66 -6.721 -0.869 4.118 1.00 0.00 C ATOM 1002 CG TYR A 66 -7.364 -1.852 5.071 1.00 0.00 C ATOM 1003 CD1 TYR A 66 -8.586 -2.442 4.772 1.00 0.00 C ATOM 1004 CD2 TYR A 66 -6.750 -2.189 6.271 1.00 0.00 C ATOM 1005 CE1 TYR A 66 -9.177 -3.340 5.639 1.00 0.00 C ATOM 1006 CE2 TYR A 66 -7.334 -3.086 7.144 1.00 0.00 C ATOM 1007 CZ TYR A 66 -8.547 -3.659 6.824 1.00 0.00 C ATOM 1008 OH TYR A 66 -9.132 -4.552 7.692 1.00 0.00 O ATOM 0 H TYR A 66 -6.570 -2.842 2.547 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.362 -0.559 2.764 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.655 -1.086 4.050 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.816 0.137 4.528 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.082 -2.194 3.845 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.800 -1.742 6.525 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.127 -3.790 5.391 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -6.843 -3.337 8.073 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.559 -4.667 8.478 1.00 0.00 H new ATOM 1018 N LEU A 67 -6.316 -0.386 0.569 1.00 0.00 N ATOM 1019 CA LEU A 67 -5.590 0.423 -0.405 1.00 0.00 C ATOM 1020 C LEU A 67 -6.454 0.707 -1.629 1.00 0.00 C ATOM 1021 O LEU A 67 -7.223 -0.148 -2.069 1.00 0.00 O ATOM 1022 CB LEU A 67 -4.303 -0.288 -0.828 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.190 -0.341 0.219 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -1.999 -1.126 -0.308 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -2.769 1.065 0.622 1.00 0.00 C ATOM 0 H LEU A 67 -6.614 -1.298 0.222 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.336 1.373 0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.553 -1.309 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.914 0.207 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.573 -0.851 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.217 -1.153 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.310 -2.143 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.615 -0.645 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.976 1.008 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.405 1.601 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.624 1.595 1.042 1.00 0.00 H new ATOM 1037 N GLN A 68 -6.320 1.911 -2.176 1.00 0.00 N ATOM 1038 CA GLN A 68 -7.087 2.306 -3.351 1.00 0.00 C ATOM 1039 C GLN A 68 -6.168 2.565 -4.540 1.00 0.00 C ATOM 1040 O GLN A 68 -5.588 3.644 -4.665 1.00 0.00 O ATOM 1041 CB GLN A 68 -7.915 3.556 -3.048 1.00 0.00 C ATOM 1042 CG GLN A 68 -8.899 3.916 -4.150 1.00 0.00 C ATOM 1043 CD GLN A 68 -9.239 5.393 -4.170 1.00 0.00 C ATOM 1044 OE1 GLN A 68 -8.503 6.204 -4.733 1.00 0.00 O ATOM 1045 NE2 GLN A 68 -10.359 5.751 -3.553 1.00 0.00 N ATOM 0 H GLN A 68 -5.687 2.630 -1.824 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.759 1.487 -3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.463 3.402 -2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.241 4.397 -2.885 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.479 3.631 -5.114 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.814 3.338 -4.018 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.939 5.045 -3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.639 6.732 -3.533 1.00 0.00 H new ATOM 1054 N PHE A 69 -6.040 1.569 -5.410 1.00 0.00 N ATOM 1055 CA PHE A 69 -5.189 1.689 -6.589 1.00 0.00 C ATOM 1056 C PHE A 69 -5.795 2.658 -7.600 1.00 0.00 C ATOM 1057 O PHE A 69 -7.006 2.875 -7.642 1.00 0.00 O ATOM 1058 CB PHE A 69 -4.985 0.319 -7.238 1.00 0.00 C ATOM 1059 CG PHE A 69 -3.990 -0.545 -6.516 1.00 0.00 C ATOM 1060 CD1 PHE A 69 -4.276 -1.051 -5.259 1.00 0.00 C ATOM 1061 CD2 PHE A 69 -2.769 -0.849 -7.095 1.00 0.00 C ATOM 1062 CE1 PHE A 69 -3.363 -1.846 -4.592 1.00 0.00 C ATOM 1063 CE2 PHE A 69 -1.852 -1.643 -6.433 1.00 0.00 C ATOM 1064 CZ PHE A 69 -2.149 -2.142 -5.180 1.00 0.00 C ATOM 0 H PHE A 69 -6.514 0.670 -5.321 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.223 2.080 -6.271 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.942 -0.200 -7.280 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.653 0.459 -8.267 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.224 -0.822 -4.794 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.531 -0.461 -8.075 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.599 -2.235 -3.612 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.903 -1.873 -6.895 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.433 -2.762 -4.661 1.00 0.00 H new ATOM 1074 N PRO A 70 -4.932 3.257 -8.435 1.00 0.00 N ATOM 1075 CA PRO A 70 -5.358 4.213 -9.461 1.00 0.00 C ATOM 1076 C PRO A 70 -6.137 3.544 -10.588 1.00 0.00 C ATOM 1077 O PRO A 70 -6.815 4.212 -11.371 1.00 0.00 O ATOM 1078 CB PRO A 70 -4.038 4.781 -9.987 1.00 0.00 C ATOM 1079 CG PRO A 70 -3.032 3.717 -9.712 1.00 0.00 C ATOM 1080 CD PRO A 70 -3.475 3.046 -8.441 1.00 0.00 C ATOM 0 HA PRO A 70 -6.033 4.969 -9.059 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.099 5.003 -11.053 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.778 5.712 -9.482 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.985 3.003 -10.534 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.035 4.142 -9.601 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.222 1.986 -8.437 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.001 3.490 -7.566 1.00 0.00 H new ATOM 1088 N THR A 71 -6.037 2.221 -10.667 1.00 0.00 N ATOM 1089 CA THR A 71 -6.732 1.462 -11.699 1.00 0.00 C ATOM 1090 C THR A 71 -8.227 1.757 -11.687 1.00 0.00 C ATOM 1091 O THR A 71 -8.850 1.811 -10.627 1.00 0.00 O ATOM 1092 CB THR A 71 -6.518 -0.053 -11.522 1.00 0.00 C ATOM 1093 OG1 THR A 71 -5.118 -0.351 -11.500 1.00 0.00 O ATOM 1094 CG2 THR A 71 -7.189 -0.830 -12.645 1.00 0.00 C ATOM 0 H THR A 71 -5.481 1.653 -10.028 1.00 0.00 H new ATOM 0 HA THR A 71 -6.311 1.772 -12.656 1.00 0.00 H new ATOM 0 HB THR A 71 -6.968 -0.352 -10.575 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.991 -1.316 -11.385 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.024 -1.897 -12.498 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.259 -0.624 -12.641 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.765 -0.526 -13.602 1.00 0.00 H new ATOM 1102 N SER A 72 -8.798 1.948 -12.872 1.00 0.00 N ATOM 1103 CA SER A 72 -10.221 2.241 -12.997 1.00 0.00 C ATOM 1104 C SER A 72 -11.058 1.183 -12.286 1.00 0.00 C ATOM 1105 O SER A 72 -11.206 0.062 -12.773 1.00 0.00 O ATOM 1106 CB SER A 72 -10.620 2.317 -14.472 1.00 0.00 C ATOM 1107 OG SER A 72 -10.384 3.612 -14.998 1.00 0.00 O ATOM 0 H SER A 72 -8.297 1.905 -13.759 1.00 0.00 H new ATOM 0 HA SER A 72 -10.411 3.206 -12.526 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.055 1.580 -15.043 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.675 2.064 -14.580 1.00 0.00 H new ATOM 0 HG SER A 72 -10.645 3.634 -15.942 1.00 0.00 H new ATOM 1113 N SER A 73 -11.604 1.548 -11.130 1.00 0.00 N ATOM 1114 CA SER A 73 -12.424 0.629 -10.348 1.00 0.00 C ATOM 1115 C SER A 73 -13.839 0.550 -10.912 1.00 0.00 C ATOM 1116 O SER A 73 -14.447 1.568 -11.242 1.00 0.00 O ATOM 1117 CB SER A 73 -12.470 1.073 -8.885 1.00 0.00 C ATOM 1118 OG SER A 73 -12.759 -0.019 -8.030 1.00 0.00 O ATOM 0 H SER A 73 -11.494 2.473 -10.714 1.00 0.00 H new ATOM 0 HA SER A 73 -11.973 -0.361 -10.406 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.514 1.515 -8.605 1.00 0.00 H new ATOM 0 HB3 SER A 73 -13.227 1.847 -8.760 1.00 0.00 H new ATOM 0 HG SER A 73 -12.781 0.290 -7.100 1.00 0.00 H new ATOM 1124 N GLY A 74 -14.359 -0.669 -11.021 1.00 0.00 N ATOM 1125 CA GLY A 74 -15.699 -0.860 -11.546 1.00 0.00 C ATOM 1126 C GLY A 74 -15.812 -0.467 -13.005 1.00 0.00 C ATOM 1127 O GLY A 74 -14.859 0.021 -13.614 1.00 0.00 O ATOM 0 H GLY A 74 -13.876 -1.527 -10.755 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.985 -1.906 -11.432 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.403 -0.271 -10.959 1.00 0.00 H new ATOM 1131 N PRO A 75 -16.999 -0.683 -13.590 1.00 0.00 N ATOM 1132 CA PRO A 75 -17.261 -0.356 -14.995 1.00 0.00 C ATOM 1133 C PRO A 75 -17.302 1.148 -15.242 1.00 0.00 C ATOM 1134 O PRO A 75 -18.332 1.792 -15.045 1.00 0.00 O ATOM 1135 CB PRO A 75 -18.635 -0.978 -15.254 1.00 0.00 C ATOM 1136 CG PRO A 75 -19.286 -1.029 -13.915 1.00 0.00 C ATOM 1137 CD PRO A 75 -18.179 -1.262 -12.925 1.00 0.00 C ATOM 0 HA PRO A 75 -16.477 -0.731 -15.654 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -19.216 -0.377 -15.954 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -18.543 -1.974 -15.688 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -19.811 -0.098 -13.701 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -20.024 -1.830 -13.870 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.383 -0.774 -11.972 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -18.043 -2.323 -12.717 1.00 0.00 H new ATOM 1145 N SER A 76 -16.174 1.703 -15.676 1.00 0.00 N ATOM 1146 CA SER A 76 -16.081 3.133 -15.947 1.00 0.00 C ATOM 1147 C SER A 76 -15.731 3.386 -17.410 1.00 0.00 C ATOM 1148 O SER A 76 -16.420 4.135 -18.104 1.00 0.00 O ATOM 1149 CB SER A 76 -15.030 3.777 -15.041 1.00 0.00 C ATOM 1150 OG SER A 76 -15.499 3.877 -13.707 1.00 0.00 O ATOM 0 H SER A 76 -15.313 1.184 -15.847 1.00 0.00 H new ATOM 0 HA SER A 76 -17.053 3.582 -15.741 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.114 3.187 -15.065 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.780 4.769 -15.417 1.00 0.00 H new ATOM 0 HG SER A 76 -14.809 4.290 -13.148 1.00 0.00 H new ATOM 1156 N SER A 77 -14.656 2.757 -17.873 1.00 0.00 N ATOM 1157 CA SER A 77 -14.211 2.917 -19.252 1.00 0.00 C ATOM 1158 C SER A 77 -14.589 1.699 -20.089 1.00 0.00 C ATOM 1159 O SER A 77 -15.040 0.684 -19.560 1.00 0.00 O ATOM 1160 CB SER A 77 -12.697 3.134 -19.301 1.00 0.00 C ATOM 1161 OG SER A 77 -12.002 1.969 -18.889 1.00 0.00 O ATOM 0 H SER A 77 -14.077 2.131 -17.313 1.00 0.00 H new ATOM 0 HA SER A 77 -14.709 3.792 -19.669 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.397 3.401 -20.314 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.425 3.970 -18.657 1.00 0.00 H new ATOM 0 HG SER A 77 -11.037 2.132 -18.931 1.00 0.00 H new ATOM 1167 N GLY A 78 -14.401 1.808 -21.401 1.00 0.00 N ATOM 1168 CA GLY A 78 -14.727 0.709 -22.291 1.00 0.00 C ATOM 1169 C GLY A 78 -14.394 1.017 -23.738 1.00 0.00 C ATOM 1170 O GLY A 78 -13.646 1.951 -24.024 1.00 0.00 O ATOM 0 H GLY A 78 -14.029 2.638 -21.863 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.183 -0.182 -21.978 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -15.789 0.480 -22.207 1.00 0.00 H new TER 1174 GLY A 78