USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 624 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 76 GLN : amide:sc= -3.18! C(o=-2.9!,f=-5.3!) USER MOD Set 1.2: A 77 THR OG1 : rot -29:sc= 0.235 USER MOD Set 2.1: A 33 SER OG : rot -90:sc= -5.54! USER MOD Set 2.2: A 56 GLN : amide:sc= -5.85 K(o=-13,f=-18!) USER MOD Set 2.3: A 62 SER OG : rot -23:sc= -1.79 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -8.26! C(o=-8.3!,f=-11!) USER MOD Single : A 25 ASN : amide:sc= -0.467 K(o=-0.47,f=-1.5!) USER MOD Single : A 27 LYS NZ :NH3+ -123:sc= -0.737! (180deg=-2.32!) USER MOD Single : A 29 SER OG : rot 180:sc=-0.00209 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 150:sc= -1.62! USER MOD Single : A 43 THR OG1 : rot -61:sc= -0.944! USER MOD Single : A 49 MET CE :methyl -139:sc= -0.462 (180deg=-2.02!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -144:sc= -0.15 (180deg=-0.359) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -4.88! C(o=-4.9!,f=-11!) USER MOD Single : A 83 MET CE :methyl -138:sc= -5.01! (180deg=-6.07!) USER MOD Single : A 86 ASN : amide:sc= -0.671 K(o=-0.67,f=-2.4!) USER MOD Single : A 92 HIS : no HD1:sc= -2.57! C(o=-2.6!,f=-2.7!) USER MOD Single : A 95 GLN : amide:sc= -3.68! C(o=-3.7!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 21 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLU A 21 3.539 -0.354 -0.984 1.00 0.00 C ATOM 4 O GLU A 21 4.434 0.436 -1.280 1.00 0.00 O ATOM 5 CB GLU A 21 1.954 1.349 -1.957 1.00 0.00 C ATOM 6 CG GLU A 21 2.593 2.465 -1.128 1.00 0.00 C ATOM 7 CD GLU A 21 3.506 3.336 -1.993 1.00 0.00 C ATOM 8 OE1 GLU A 21 3.019 4.056 -2.878 1.00 0.00 O ATOM 9 OE2 GLU A 21 4.763 3.249 -1.719 1.00 0.00 O ATOM 0 HA GLU A 21 1.647 -0.759 -1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.437 1.293 -2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.903 1.579 -2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.814 3.082 -0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.167 2.032 -0.309 1.00 0.00 H new ATOM 17 N THR A 22 3.738 -1.542 -0.432 1.00 0.00 N ATOM 18 CA THR A 22 5.079 -2.010 -0.128 1.00 0.00 C ATOM 19 C THR A 22 5.623 -2.857 -1.280 1.00 0.00 C ATOM 20 O THR A 22 4.998 -3.836 -1.684 1.00 0.00 O ATOM 21 CB THR A 22 5.028 -2.759 1.205 1.00 0.00 C ATOM 22 OG1 THR A 22 5.830 -1.970 2.079 1.00 0.00 O ATOM 23 CG2 THR A 22 5.752 -4.106 1.149 1.00 0.00 C ATOM 0 H THR A 22 2.993 -2.194 -0.188 1.00 0.00 H new ATOM 0 HA THR A 22 5.774 -1.177 -0.023 1.00 0.00 H new ATOM 0 HB THR A 22 3.988 -2.918 1.491 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.850 -2.383 2.967 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.685 -4.596 2.121 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.287 -4.738 0.392 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.800 -3.946 0.895 1.00 0.00 H new ATOM 31 N HIS A 23 6.782 -2.450 -1.777 1.00 0.00 N ATOM 32 CA HIS A 23 7.417 -3.159 -2.874 1.00 0.00 C ATOM 33 C HIS A 23 8.162 -4.381 -2.333 1.00 0.00 C ATOM 34 O HIS A 23 8.997 -4.257 -1.439 1.00 0.00 O ATOM 35 CB HIS A 23 8.321 -2.221 -3.677 1.00 0.00 C ATOM 36 CG HIS A 23 7.595 -1.050 -4.296 1.00 0.00 C ATOM 37 ND1 HIS A 23 6.215 -0.971 -4.359 1.00 0.00 N ATOM 38 CD2 HIS A 23 8.073 0.088 -4.878 1.00 0.00 C ATOM 39 CE1 HIS A 23 5.888 0.166 -4.954 1.00 0.00 C ATOM 40 NE2 HIS A 23 7.040 0.821 -5.276 1.00 0.00 N ATOM 0 H HIS A 23 7.298 -1.637 -1.439 1.00 0.00 H new ATOM 0 HA HIS A 23 6.657 -3.518 -3.568 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.108 -1.844 -3.024 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.809 -2.792 -4.467 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.115 0.348 -4.995 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.884 0.514 -5.150 1.00 0.00 H new ATOM 0 HE2 HIS A 23 7.098 1.725 -5.745 1.00 0.00 H new ATOM 48 N ILE A 24 7.832 -5.533 -2.899 1.00 0.00 N ATOM 49 CA ILE A 24 8.460 -6.776 -2.484 1.00 0.00 C ATOM 50 C ILE A 24 8.346 -7.801 -3.614 1.00 0.00 C ATOM 51 O ILE A 24 7.781 -7.509 -4.668 1.00 0.00 O ATOM 52 CB ILE A 24 7.871 -7.257 -1.156 1.00 0.00 C ATOM 53 CG1 ILE A 24 6.392 -7.614 -1.310 1.00 0.00 C ATOM 54 CG2 ILE A 24 8.100 -6.225 -0.050 1.00 0.00 C ATOM 55 CD1 ILE A 24 5.946 -8.587 -0.216 1.00 0.00 C ATOM 0 H ILE A 24 7.139 -5.632 -3.641 1.00 0.00 H new ATOM 0 HA ILE A 24 9.523 -6.622 -2.298 1.00 0.00 H new ATOM 0 HB ILE A 24 8.392 -8.167 -0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.789 -6.707 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.222 -8.060 -2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.672 -6.591 0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.170 -6.063 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.621 -5.285 -0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.890 -8.825 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.535 -9.502 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.095 -8.128 0.762 1.00 0.00 H new ATOM 67 N ASN A 25 8.890 -8.981 -3.357 1.00 0.00 N ATOM 68 CA ASN A 25 8.857 -10.051 -4.340 1.00 0.00 C ATOM 69 C ASN A 25 7.635 -10.936 -4.082 1.00 0.00 C ATOM 70 O ASN A 25 7.066 -10.912 -2.992 1.00 0.00 O ATOM 71 CB ASN A 25 10.106 -10.930 -4.241 1.00 0.00 C ATOM 72 CG ASN A 25 10.053 -11.820 -2.998 1.00 0.00 C ATOM 73 OD1 ASN A 25 9.353 -12.818 -2.947 1.00 0.00 O ATOM 74 ND2 ASN A 25 10.829 -11.404 -2.001 1.00 0.00 N ATOM 0 H ASN A 25 9.356 -9.220 -2.482 1.00 0.00 H new ATOM 0 HA ASN A 25 8.813 -9.598 -5.330 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.190 -11.550 -5.133 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.996 -10.301 -4.205 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.863 -11.930 -1.128 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.390 -10.559 -2.110 1.00 0.00 H new ATOM 81 N LEU A 26 7.268 -11.695 -5.104 1.00 0.00 N ATOM 82 CA LEU A 26 6.125 -12.586 -5.002 1.00 0.00 C ATOM 83 C LEU A 26 6.500 -13.958 -5.566 1.00 0.00 C ATOM 84 O LEU A 26 7.341 -14.057 -6.458 1.00 0.00 O ATOM 85 CB LEU A 26 4.898 -11.962 -5.670 1.00 0.00 C ATOM 86 CG LEU A 26 3.896 -12.942 -6.283 1.00 0.00 C ATOM 87 CD1 LEU A 26 2.494 -12.332 -6.336 1.00 0.00 C ATOM 88 CD2 LEU A 26 4.367 -13.418 -7.659 1.00 0.00 C ATOM 0 H LEU A 26 7.742 -11.711 -6.007 1.00 0.00 H new ATOM 0 HA LEU A 26 5.851 -12.734 -3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.376 -11.355 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.240 -11.286 -6.453 1.00 0.00 H new ATOM 0 HG LEU A 26 3.840 -13.820 -5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.801 -13.050 -6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.167 -12.084 -5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.514 -11.427 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.637 -14.114 -8.073 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.470 -12.561 -8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.330 -13.919 -7.561 1.00 0.00 H new ATOM 100 N LYS A 27 5.859 -14.982 -5.022 1.00 0.00 N ATOM 101 CA LYS A 27 6.115 -16.343 -5.459 1.00 0.00 C ATOM 102 C LYS A 27 4.811 -17.143 -5.414 1.00 0.00 C ATOM 103 O LYS A 27 4.316 -17.469 -4.336 1.00 0.00 O ATOM 104 CB LYS A 27 7.247 -16.966 -4.639 1.00 0.00 C ATOM 105 CG LYS A 27 7.270 -18.487 -4.802 1.00 0.00 C ATOM 106 CD LYS A 27 6.993 -18.887 -6.253 1.00 0.00 C ATOM 107 CE LYS A 27 7.776 -20.144 -6.634 1.00 0.00 C ATOM 108 NZ LYS A 27 9.197 -20.009 -6.241 1.00 0.00 N ATOM 0 H LYS A 27 5.162 -14.896 -4.282 1.00 0.00 H new ATOM 0 HA LYS A 27 6.460 -16.352 -6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.203 -16.548 -4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.121 -16.711 -3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.241 -18.875 -4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.524 -18.938 -4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.926 -19.064 -6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.267 -18.068 -6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.338 -21.014 -6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.704 -20.313 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.802 -20.135 -7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.357 -19.064 -5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.431 -20.733 -5.532 1.00 0.00 H new ATOM 121 N VAL A 28 4.292 -17.435 -6.598 1.00 0.00 N ATOM 122 CA VAL A 28 3.056 -18.190 -6.707 1.00 0.00 C ATOM 123 C VAL A 28 3.382 -19.677 -6.853 1.00 0.00 C ATOM 124 O VAL A 28 4.036 -20.081 -7.814 1.00 0.00 O ATOM 125 CB VAL A 28 2.211 -17.647 -7.862 1.00 0.00 C ATOM 126 CG1 VAL A 28 2.309 -16.122 -7.942 1.00 0.00 C ATOM 127 CG2 VAL A 28 2.616 -18.293 -9.188 1.00 0.00 C ATOM 0 H VAL A 28 4.705 -17.162 -7.490 1.00 0.00 H new ATOM 0 HA VAL A 28 2.458 -18.076 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 28 1.170 -17.906 -7.668 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.700 -15.761 -8.771 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.950 -15.685 -7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.347 -15.832 -8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.000 -17.890 -9.992 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.665 -18.079 -9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.471 -19.372 -9.126 1.00 0.00 H new ATOM 137 N SER A 29 2.912 -20.451 -5.886 1.00 0.00 N ATOM 138 CA SER A 29 3.146 -21.885 -5.895 1.00 0.00 C ATOM 139 C SER A 29 1.962 -22.605 -6.544 1.00 0.00 C ATOM 140 O SER A 29 0.898 -22.727 -5.938 1.00 0.00 O ATOM 141 CB SER A 29 3.378 -22.415 -4.479 1.00 0.00 C ATOM 142 OG SER A 29 3.323 -21.376 -3.505 1.00 0.00 O ATOM 0 H SER A 29 2.370 -20.112 -5.091 1.00 0.00 H new ATOM 0 HA SER A 29 4.046 -22.080 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.627 -23.170 -4.247 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.350 -22.907 -4.430 1.00 0.00 H new ATOM 0 HG SER A 29 3.474 -21.755 -2.614 1.00 0.00 H new ATOM 148 N ASP A 30 2.186 -23.062 -7.767 1.00 0.00 N ATOM 149 CA ASP A 30 1.151 -23.766 -8.504 1.00 0.00 C ATOM 150 C ASP A 30 1.731 -25.059 -9.082 1.00 0.00 C ATOM 151 O ASP A 30 2.888 -25.093 -9.496 1.00 0.00 O ATOM 152 CB ASP A 30 0.631 -22.920 -9.668 1.00 0.00 C ATOM 153 CG ASP A 30 -0.574 -23.506 -10.406 1.00 0.00 C ATOM 154 OD1 ASP A 30 -0.535 -24.649 -10.886 1.00 0.00 O ATOM 155 OD2 ASP A 30 -1.600 -22.728 -10.480 1.00 0.00 O ATOM 0 H ASP A 30 3.069 -22.958 -8.266 1.00 0.00 H new ATOM 0 HA ASP A 30 0.332 -23.976 -7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.362 -21.934 -9.289 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.441 -22.776 -10.383 1.00 0.00 H new ATOM 161 N GLY A 31 0.900 -26.091 -9.090 1.00 0.00 N ATOM 162 CA GLY A 31 1.316 -27.382 -9.610 1.00 0.00 C ATOM 163 C GLY A 31 2.536 -27.239 -10.522 1.00 0.00 C ATOM 164 O GLY A 31 3.653 -27.573 -10.128 1.00 0.00 O ATOM 0 H GLY A 31 -0.059 -26.059 -8.745 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.552 -28.052 -8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.495 -27.837 -10.164 1.00 0.00 H new ATOM 168 N SER A 32 2.282 -26.742 -11.723 1.00 0.00 N ATOM 169 CA SER A 32 3.346 -26.550 -12.694 1.00 0.00 C ATOM 170 C SER A 32 3.425 -25.077 -13.101 1.00 0.00 C ATOM 171 O SER A 32 4.297 -24.689 -13.876 1.00 0.00 O ATOM 172 CB SER A 32 3.132 -27.430 -13.927 1.00 0.00 C ATOM 173 OG SER A 32 3.823 -28.672 -13.823 1.00 0.00 O ATOM 0 H SER A 32 1.355 -26.466 -12.046 1.00 0.00 H new ATOM 0 HA SER A 32 4.288 -26.843 -12.230 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.066 -27.618 -14.058 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.473 -26.899 -14.815 1.00 0.00 H new ATOM 0 HG SER A 32 3.660 -29.206 -14.629 1.00 0.00 H new ATOM 179 N SER A 33 2.501 -24.297 -12.559 1.00 0.00 N ATOM 180 CA SER A 33 2.455 -22.875 -12.856 1.00 0.00 C ATOM 181 C SER A 33 3.293 -22.100 -11.837 1.00 0.00 C ATOM 182 O SER A 33 3.338 -20.872 -11.871 1.00 0.00 O ATOM 183 CB SER A 33 1.014 -22.360 -12.859 1.00 0.00 C ATOM 184 OG SER A 33 0.067 -23.423 -12.906 1.00 0.00 O ATOM 0 H SER A 33 1.779 -24.622 -11.916 1.00 0.00 H new ATOM 0 HA SER A 33 2.870 -22.720 -13.852 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.842 -21.760 -11.965 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.865 -21.704 -13.717 1.00 0.00 H new ATOM 0 HG SER A 33 -0.139 -23.636 -13.840 1.00 0.00 H new ATOM 190 N GLU A 34 3.937 -22.851 -10.955 1.00 0.00 N ATOM 191 CA GLU A 34 4.771 -22.250 -9.928 1.00 0.00 C ATOM 192 C GLU A 34 5.824 -21.341 -10.565 1.00 0.00 C ATOM 193 O GLU A 34 6.599 -21.782 -11.413 1.00 0.00 O ATOM 194 CB GLU A 34 5.427 -23.323 -9.057 1.00 0.00 C ATOM 195 CG GLU A 34 6.479 -24.103 -9.848 1.00 0.00 C ATOM 196 CD GLU A 34 6.937 -25.343 -9.076 1.00 0.00 C ATOM 197 OE1 GLU A 34 6.296 -25.730 -8.088 1.00 0.00 O ATOM 198 OE2 GLU A 34 7.999 -25.911 -9.538 1.00 0.00 O ATOM 0 H GLU A 34 3.898 -23.870 -10.931 1.00 0.00 H new ATOM 0 HA GLU A 34 4.137 -21.642 -9.282 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.892 -22.857 -8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.666 -24.008 -8.683 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.067 -24.402 -10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.335 -23.461 -10.053 1.00 0.00 H new ATOM 206 N ILE A 35 5.820 -20.089 -10.132 1.00 0.00 N ATOM 207 CA ILE A 35 6.765 -19.115 -10.649 1.00 0.00 C ATOM 208 C ILE A 35 6.981 -18.016 -9.606 1.00 0.00 C ATOM 209 O ILE A 35 6.123 -17.786 -8.756 1.00 0.00 O ATOM 210 CB ILE A 35 6.302 -18.589 -12.009 1.00 0.00 C ATOM 211 CG1 ILE A 35 7.269 -19.009 -13.118 1.00 0.00 C ATOM 212 CG2 ILE A 35 6.099 -17.073 -11.971 1.00 0.00 C ATOM 213 CD1 ILE A 35 8.434 -18.024 -13.232 1.00 0.00 C ATOM 0 H ILE A 35 5.177 -19.727 -9.428 1.00 0.00 H new ATOM 0 HA ILE A 35 7.734 -19.582 -10.826 1.00 0.00 H new ATOM 0 HB ILE A 35 5.335 -19.038 -12.237 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.652 -20.008 -12.912 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.738 -19.061 -14.068 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.770 -16.725 -12.950 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.343 -16.826 -11.225 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.039 -16.586 -11.710 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.106 -18.346 -14.027 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.049 -17.030 -13.462 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.978 -17.993 -12.288 1.00 0.00 H new ATOM 225 N PHE A 36 8.132 -17.368 -9.706 1.00 0.00 N ATOM 226 CA PHE A 36 8.472 -16.300 -8.781 1.00 0.00 C ATOM 227 C PHE A 36 8.997 -15.073 -9.530 1.00 0.00 C ATOM 228 O PHE A 36 9.775 -15.204 -10.474 1.00 0.00 O ATOM 229 CB PHE A 36 9.575 -16.834 -7.865 1.00 0.00 C ATOM 230 CG PHE A 36 10.592 -17.732 -8.574 1.00 0.00 C ATOM 231 CD1 PHE A 36 10.305 -19.043 -8.794 1.00 0.00 C ATOM 232 CD2 PHE A 36 11.783 -17.218 -8.984 1.00 0.00 C ATOM 233 CE1 PHE A 36 11.249 -19.875 -9.452 1.00 0.00 C ATOM 234 CE2 PHE A 36 12.726 -18.050 -9.642 1.00 0.00 C ATOM 235 CZ PHE A 36 12.439 -19.361 -9.862 1.00 0.00 C ATOM 0 H PHE A 36 8.841 -17.562 -10.413 1.00 0.00 H new ATOM 0 HA PHE A 36 7.588 -15.999 -8.219 1.00 0.00 H new ATOM 0 HB2 PHE A 36 10.101 -15.991 -7.416 1.00 0.00 H new ATOM 0 HB3 PHE A 36 9.117 -17.394 -7.050 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.360 -19.451 -8.468 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.011 -16.177 -8.809 1.00 0.00 H new ATOM 0 HE1 PHE A 36 11.022 -20.916 -9.627 1.00 0.00 H new ATOM 0 HE2 PHE A 36 13.671 -17.642 -9.968 1.00 0.00 H new ATOM 0 HZ PHE A 36 13.157 -19.994 -10.363 1.00 0.00 H new ATOM 245 N PHE A 37 8.551 -13.910 -9.081 1.00 0.00 N ATOM 246 CA PHE A 37 8.966 -12.661 -9.696 1.00 0.00 C ATOM 247 C PHE A 37 8.880 -11.503 -8.700 1.00 0.00 C ATOM 248 O PHE A 37 8.185 -11.599 -7.689 1.00 0.00 O ATOM 249 CB PHE A 37 8.005 -12.392 -10.856 1.00 0.00 C ATOM 250 CG PHE A 37 8.414 -13.060 -12.170 1.00 0.00 C ATOM 251 CD1 PHE A 37 9.659 -12.854 -12.679 1.00 0.00 C ATOM 252 CD2 PHE A 37 7.534 -13.859 -12.830 1.00 0.00 C ATOM 253 CE1 PHE A 37 10.039 -13.473 -13.899 1.00 0.00 C ATOM 254 CE2 PHE A 37 7.914 -14.478 -14.050 1.00 0.00 C ATOM 255 CZ PHE A 37 9.158 -14.273 -14.559 1.00 0.00 C ATOM 0 H PHE A 37 7.906 -13.806 -8.298 1.00 0.00 H new ATOM 0 HA PHE A 37 10.000 -12.739 -10.033 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.010 -12.739 -10.578 1.00 0.00 H new ATOM 0 HB3 PHE A 37 7.934 -11.316 -11.014 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.358 -12.219 -12.155 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.546 -14.023 -12.426 1.00 0.00 H new ATOM 0 HE1 PHE A 37 11.027 -13.309 -14.303 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.214 -15.112 -14.574 1.00 0.00 H new ATOM 0 HZ PHE A 37 9.447 -14.745 -15.487 1.00 0.00 H new ATOM 265 N LYS A 38 9.596 -10.435 -9.019 1.00 0.00 N ATOM 266 CA LYS A 38 9.609 -9.260 -8.164 1.00 0.00 C ATOM 267 C LYS A 38 8.517 -8.290 -8.621 1.00 0.00 C ATOM 268 O LYS A 38 8.277 -8.140 -9.818 1.00 0.00 O ATOM 269 CB LYS A 38 11.007 -8.639 -8.128 1.00 0.00 C ATOM 270 CG LYS A 38 12.066 -9.692 -7.794 1.00 0.00 C ATOM 271 CD LYS A 38 12.810 -10.140 -9.054 1.00 0.00 C ATOM 272 CE LYS A 38 13.578 -11.439 -8.805 1.00 0.00 C ATOM 273 NZ LYS A 38 15.012 -11.156 -8.572 1.00 0.00 N ATOM 0 H LYS A 38 10.171 -10.359 -9.858 1.00 0.00 H new ATOM 0 HA LYS A 38 9.381 -9.536 -7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.232 -8.185 -9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.035 -7.841 -7.386 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.775 -9.284 -7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.592 -10.553 -7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.100 -10.284 -9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.502 -9.359 -9.369 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.159 -11.957 -7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.467 -12.104 -9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.519 -12.048 -8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.412 -10.682 -9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.114 -10.539 -7.741 1.00 0.00 H new ATOM 286 N ILE A 39 7.886 -7.657 -7.644 1.00 0.00 N ATOM 287 CA ILE A 39 6.825 -6.706 -7.930 1.00 0.00 C ATOM 288 C ILE A 39 6.931 -5.524 -6.965 1.00 0.00 C ATOM 289 O ILE A 39 7.655 -5.591 -5.973 1.00 0.00 O ATOM 290 CB ILE A 39 5.462 -7.400 -7.906 1.00 0.00 C ATOM 291 CG1 ILE A 39 5.381 -8.487 -8.979 1.00 0.00 C ATOM 292 CG2 ILE A 39 4.326 -6.382 -8.033 1.00 0.00 C ATOM 293 CD1 ILE A 39 5.681 -9.866 -8.387 1.00 0.00 C ATOM 0 H ILE A 39 8.089 -7.784 -6.652 1.00 0.00 H new ATOM 0 HA ILE A 39 6.934 -6.305 -8.938 1.00 0.00 H new ATOM 0 HB ILE A 39 5.346 -7.892 -6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.387 -8.488 -9.426 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.090 -8.268 -9.778 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.368 -6.902 -8.013 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.374 -5.678 -7.203 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.426 -5.841 -8.974 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.617 -10.620 -9.171 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.685 -9.869 -7.962 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.956 -10.092 -7.606 1.00 0.00 H new ATOM 305 N LYS A 40 6.199 -4.469 -7.289 1.00 0.00 N ATOM 306 CA LYS A 40 6.201 -3.274 -6.462 1.00 0.00 C ATOM 307 C LYS A 40 4.922 -3.236 -5.624 1.00 0.00 C ATOM 308 O LYS A 40 4.140 -2.291 -5.720 1.00 0.00 O ATOM 309 CB LYS A 40 6.409 -2.027 -7.324 1.00 0.00 C ATOM 310 CG LYS A 40 7.606 -2.201 -8.261 1.00 0.00 C ATOM 311 CD LYS A 40 8.880 -1.630 -7.634 1.00 0.00 C ATOM 312 CE LYS A 40 9.343 -0.376 -8.378 1.00 0.00 C ATOM 313 NZ LYS A 40 10.271 -0.735 -9.473 1.00 0.00 N ATOM 0 H LYS A 40 5.600 -4.416 -8.113 1.00 0.00 H new ATOM 0 HA LYS A 40 7.038 -3.295 -5.764 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.510 -1.831 -7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.568 -1.160 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.748 -3.259 -8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.407 -1.700 -9.208 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.698 -1.389 -6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.669 -2.382 -7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.480 0.153 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.836 0.304 -7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.575 0.128 -9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.102 -1.219 -9.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.789 -1.366 -10.144 1.00 0.00 H new ATOM 326 N LYS A 41 4.748 -4.275 -4.821 1.00 0.00 N ATOM 327 CA LYS A 41 3.576 -4.372 -3.966 1.00 0.00 C ATOM 328 C LYS A 41 3.622 -5.692 -3.193 1.00 0.00 C ATOM 329 O LYS A 41 4.013 -6.722 -3.740 1.00 0.00 O ATOM 330 CB LYS A 41 2.298 -4.183 -4.786 1.00 0.00 C ATOM 331 CG LYS A 41 1.632 -2.844 -4.462 1.00 0.00 C ATOM 332 CD LYS A 41 1.080 -2.187 -5.728 1.00 0.00 C ATOM 333 CE LYS A 41 0.792 -0.702 -5.494 1.00 0.00 C ATOM 334 NZ LYS A 41 -0.432 -0.291 -6.218 1.00 0.00 N ATOM 0 H LYS A 41 5.398 -5.057 -4.744 1.00 0.00 H new ATOM 0 HA LYS A 41 3.575 -3.570 -3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.534 -4.228 -5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.605 -4.998 -4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.824 -2.999 -3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.354 -2.179 -3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.796 -2.298 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.166 -2.694 -6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.672 -0.513 -4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.639 -0.104 -5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.613 0.719 -6.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.304 -0.454 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.241 -0.849 -5.878 1.00 0.00 H new ATOM 347 N THR A 42 3.218 -5.618 -1.934 1.00 0.00 N ATOM 348 CA THR A 42 3.208 -6.794 -1.081 1.00 0.00 C ATOM 349 C THR A 42 1.862 -7.514 -1.181 1.00 0.00 C ATOM 350 O THR A 42 1.815 -8.741 -1.250 1.00 0.00 O ATOM 351 CB THR A 42 3.554 -6.349 0.342 1.00 0.00 C ATOM 352 OG1 THR A 42 3.038 -7.390 1.167 1.00 0.00 O ATOM 353 CG2 THR A 42 2.771 -5.108 0.774 1.00 0.00 C ATOM 0 H THR A 42 2.895 -4.762 -1.484 1.00 0.00 H new ATOM 0 HA THR A 42 3.955 -7.521 -1.401 1.00 0.00 H new ATOM 0 HB THR A 42 4.623 -6.145 0.408 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.583 -7.466 1.978 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.054 -4.835 1.791 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.997 -4.282 0.100 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.703 -5.322 0.740 1.00 0.00 H new ATOM 361 N THR A 43 0.801 -6.721 -1.187 1.00 0.00 N ATOM 362 CA THR A 43 -0.542 -7.268 -1.278 1.00 0.00 C ATOM 363 C THR A 43 -0.543 -8.540 -2.128 1.00 0.00 C ATOM 364 O THR A 43 -0.635 -8.473 -3.353 1.00 0.00 O ATOM 365 CB THR A 43 -1.462 -6.173 -1.822 1.00 0.00 C ATOM 366 OG1 THR A 43 -2.477 -6.888 -2.521 1.00 0.00 O ATOM 367 CG2 THR A 43 -0.789 -5.327 -2.905 1.00 0.00 C ATOM 0 H THR A 43 0.844 -5.703 -1.130 1.00 0.00 H new ATOM 0 HA THR A 43 -0.914 -7.569 -0.299 1.00 0.00 H new ATOM 0 HB THR A 43 -1.781 -5.528 -1.004 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.071 -7.409 -3.245 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.485 -4.565 -3.257 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.098 -4.846 -2.492 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.500 -5.967 -3.739 1.00 0.00 H new ATOM 375 N PRO A 44 -0.436 -9.700 -1.426 1.00 0.00 N ATOM 376 CA PRO A 44 -0.424 -10.986 -2.103 1.00 0.00 C ATOM 377 C PRO A 44 -1.826 -11.365 -2.584 1.00 0.00 C ATOM 378 O PRO A 44 -1.975 -12.064 -3.585 1.00 0.00 O ATOM 379 CB PRO A 44 0.138 -11.962 -1.083 1.00 0.00 C ATOM 380 CG PRO A 44 -0.015 -11.285 0.270 1.00 0.00 C ATOM 381 CD PRO A 44 -0.325 -9.818 0.025 1.00 0.00 C ATOM 0 HA PRO A 44 0.185 -10.980 -3.007 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.402 -12.909 -1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.184 -12.186 -1.292 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.815 -11.754 0.843 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.899 -11.389 0.855 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.250 -9.521 0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.465 -9.176 0.415 1.00 0.00 H new ATOM 389 N LEU A 45 -2.819 -10.887 -1.849 1.00 0.00 N ATOM 390 CA LEU A 45 -4.204 -11.167 -2.188 1.00 0.00 C ATOM 391 C LEU A 45 -4.509 -10.601 -3.576 1.00 0.00 C ATOM 392 O LEU A 45 -5.006 -11.314 -4.446 1.00 0.00 O ATOM 393 CB LEU A 45 -5.139 -10.649 -1.093 1.00 0.00 C ATOM 394 CG LEU A 45 -5.257 -9.128 -0.976 1.00 0.00 C ATOM 395 CD1 LEU A 45 -6.469 -8.736 -0.129 1.00 0.00 C ATOM 396 CD2 LEU A 45 -3.961 -8.518 -0.438 1.00 0.00 C ATOM 0 H LEU A 45 -2.692 -10.307 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.374 -12.242 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.134 -11.058 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.797 -11.042 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.416 -8.720 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.530 -7.650 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.377 -9.122 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.365 -9.156 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.071 -7.436 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.748 -8.929 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.140 -8.754 -1.115 1.00 0.00 H new ATOM 408 N ARG A 46 -4.199 -9.323 -3.740 1.00 0.00 N ATOM 409 CA ARG A 46 -4.434 -8.653 -5.008 1.00 0.00 C ATOM 410 C ARG A 46 -3.343 -9.023 -6.014 1.00 0.00 C ATOM 411 O ARG A 46 -3.610 -9.145 -7.209 1.00 0.00 O ATOM 412 CB ARG A 46 -4.461 -7.133 -4.831 1.00 0.00 C ATOM 413 CG ARG A 46 -5.582 -6.712 -3.879 1.00 0.00 C ATOM 414 CD ARG A 46 -6.604 -5.826 -4.595 1.00 0.00 C ATOM 415 NE ARG A 46 -6.206 -4.404 -4.485 1.00 0.00 N ATOM 416 CZ ARG A 46 -6.618 -3.436 -5.332 1.00 0.00 C ATOM 417 NH1 ARG A 46 -7.444 -3.729 -6.359 1.00 0.00 N ATOM 418 NH2 ARG A 46 -6.200 -2.199 -5.140 1.00 0.00 N ATOM 0 H ARG A 46 -3.787 -8.734 -3.016 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.404 -8.981 -5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.502 -6.791 -4.442 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.602 -6.653 -5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.078 -7.597 -3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.160 -6.174 -3.030 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.674 -6.112 -5.644 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.592 -5.971 -4.158 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.582 -4.139 -3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.762 -4.688 -6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.750 -2.992 -6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.576 -1.987 -4.362 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.501 -1.455 -5.770 1.00 0.00 H new ATOM 431 N ARG A 47 -2.135 -9.191 -5.495 1.00 0.00 N ATOM 432 CA ARG A 47 -1.003 -9.544 -6.333 1.00 0.00 C ATOM 433 C ARG A 47 -1.251 -10.888 -7.021 1.00 0.00 C ATOM 434 O ARG A 47 -1.544 -10.934 -8.215 1.00 0.00 O ATOM 435 CB ARG A 47 0.285 -9.630 -5.511 1.00 0.00 C ATOM 436 CG ARG A 47 0.939 -8.254 -5.372 1.00 0.00 C ATOM 437 CD ARG A 47 1.820 -7.940 -6.583 1.00 0.00 C ATOM 438 NE ARG A 47 0.974 -7.668 -7.766 1.00 0.00 N ATOM 439 CZ ARG A 47 0.431 -6.464 -8.048 1.00 0.00 C ATOM 440 NH1 ARG A 47 0.642 -5.409 -7.232 1.00 0.00 N ATOM 441 NH2 ARG A 47 -0.309 -6.334 -9.133 1.00 0.00 N ATOM 0 H ARG A 47 -1.916 -9.089 -4.504 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.890 -8.762 -7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.064 -10.033 -4.523 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.980 -10.321 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.168 -7.490 -5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.540 -8.223 -4.463 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.451 -7.077 -6.370 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.486 -8.779 -6.786 1.00 0.00 H new ATOM 0 HE ARG A 47 0.789 -8.438 -8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.215 -5.518 -6.395 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.228 -4.503 -7.452 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.464 -7.136 -9.744 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.726 -5.432 -9.360 1.00 0.00 H new ATOM 454 N LEU A 48 -1.124 -11.950 -6.239 1.00 0.00 N ATOM 455 CA LEU A 48 -1.331 -13.291 -6.758 1.00 0.00 C ATOM 456 C LEU A 48 -2.567 -13.300 -7.659 1.00 0.00 C ATOM 457 O LEU A 48 -2.565 -13.930 -8.716 1.00 0.00 O ATOM 458 CB LEU A 48 -1.397 -14.304 -5.614 1.00 0.00 C ATOM 459 CG LEU A 48 -0.548 -15.566 -5.785 1.00 0.00 C ATOM 460 CD1 LEU A 48 0.644 -15.559 -4.826 1.00 0.00 C ATOM 461 CD2 LEU A 48 -1.402 -16.826 -5.628 1.00 0.00 C ATOM 0 H LEU A 48 -0.880 -11.909 -5.249 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.485 -13.595 -7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.089 -13.805 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.436 -14.605 -5.481 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.146 -15.573 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.231 -16.467 -4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.268 -14.688 -5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.284 -15.517 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.775 -17.709 -5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.852 -16.839 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.188 -16.829 -6.383 1.00 0.00 H new ATOM 473 N MET A 49 -3.593 -12.593 -7.209 1.00 0.00 N ATOM 474 CA MET A 49 -4.834 -12.511 -7.961 1.00 0.00 C ATOM 475 C MET A 49 -4.559 -12.429 -9.464 1.00 0.00 C ATOM 476 O MET A 49 -5.268 -13.039 -10.263 1.00 0.00 O ATOM 477 CB MET A 49 -5.619 -11.275 -7.517 1.00 0.00 C ATOM 478 CG MET A 49 -7.101 -11.607 -7.326 1.00 0.00 C ATOM 479 SD MET A 49 -7.921 -11.673 -8.910 1.00 0.00 S ATOM 480 CE MET A 49 -7.663 -9.995 -9.463 1.00 0.00 C ATOM 0 H MET A 49 -3.591 -12.071 -6.333 1.00 0.00 H new ATOM 0 HA MET A 49 -5.416 -13.411 -7.766 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.205 -10.892 -6.584 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.512 -10.485 -8.261 1.00 0.00 H new ATOM 0 HG2 MET A 49 -7.205 -12.563 -6.813 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.572 -10.854 -6.694 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.571 -9.626 -9.940 1.00 0.00 H new ATOM 0 HE2 MET A 49 -7.419 -9.364 -8.608 1.00 0.00 H new ATOM 0 HE3 MET A 49 -6.841 -9.970 -10.178 1.00 0.00 H new ATOM 490 N GLU A 50 -3.527 -11.670 -9.804 1.00 0.00 N ATOM 491 CA GLU A 50 -3.150 -11.500 -11.197 1.00 0.00 C ATOM 492 C GLU A 50 -1.960 -12.399 -11.538 1.00 0.00 C ATOM 493 O GLU A 50 -2.042 -13.227 -12.443 1.00 0.00 O ATOM 494 CB GLU A 50 -2.837 -10.034 -11.505 1.00 0.00 C ATOM 495 CG GLU A 50 -3.284 -9.664 -12.921 1.00 0.00 C ATOM 496 CD GLU A 50 -4.773 -9.315 -12.952 1.00 0.00 C ATOM 497 OE1 GLU A 50 -5.134 -8.159 -13.217 1.00 0.00 O ATOM 498 OE2 GLU A 50 -5.568 -10.297 -12.689 1.00 0.00 O ATOM 0 H GLU A 50 -2.941 -11.166 -9.139 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.994 -11.796 -11.821 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.339 -9.391 -10.782 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.767 -9.857 -11.400 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.701 -8.816 -13.281 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.088 -10.496 -13.597 1.00 0.00 H new ATOM 506 N ALA A 51 -0.880 -12.204 -10.794 1.00 0.00 N ATOM 507 CA ALA A 51 0.325 -12.987 -11.006 1.00 0.00 C ATOM 508 C ALA A 51 -0.055 -14.454 -11.220 1.00 0.00 C ATOM 509 O ALA A 51 0.157 -15.003 -12.300 1.00 0.00 O ATOM 510 CB ALA A 51 1.272 -12.797 -9.820 1.00 0.00 C ATOM 0 H ALA A 51 -0.815 -11.515 -10.044 1.00 0.00 H new ATOM 0 HA ALA A 51 0.850 -12.649 -11.900 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.176 -13.384 -9.979 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.535 -11.743 -9.730 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.780 -13.128 -8.905 1.00 0.00 H new ATOM 516 N PHE A 52 -0.611 -15.046 -10.173 1.00 0.00 N ATOM 517 CA PHE A 52 -1.023 -16.438 -10.233 1.00 0.00 C ATOM 518 C PHE A 52 -1.956 -16.684 -11.420 1.00 0.00 C ATOM 519 O PHE A 52 -1.996 -17.785 -11.966 1.00 0.00 O ATOM 520 CB PHE A 52 -1.777 -16.738 -8.936 1.00 0.00 C ATOM 521 CG PHE A 52 -3.237 -17.145 -9.145 1.00 0.00 C ATOM 522 CD1 PHE A 52 -3.534 -18.282 -9.830 1.00 0.00 C ATOM 523 CD2 PHE A 52 -4.237 -16.371 -8.645 1.00 0.00 C ATOM 524 CE1 PHE A 52 -4.889 -18.660 -10.024 1.00 0.00 C ATOM 525 CE2 PHE A 52 -5.592 -16.749 -8.839 1.00 0.00 C ATOM 526 CZ PHE A 52 -5.889 -17.886 -9.524 1.00 0.00 C ATOM 0 H PHE A 52 -0.786 -14.587 -9.279 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.150 -17.079 -10.354 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.260 -17.537 -8.404 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.744 -15.856 -8.296 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.740 -18.897 -10.226 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.001 -15.469 -8.100 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.125 -19.562 -10.569 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.386 -16.134 -8.443 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.919 -18.174 -9.671 1.00 0.00 H new ATOM 536 N ALA A 53 -2.685 -15.639 -11.784 1.00 0.00 N ATOM 537 CA ALA A 53 -3.616 -15.727 -12.896 1.00 0.00 C ATOM 538 C ALA A 53 -2.884 -15.389 -14.197 1.00 0.00 C ATOM 539 O ALA A 53 -3.476 -15.426 -15.274 1.00 0.00 O ATOM 540 CB ALA A 53 -4.807 -14.801 -12.640 1.00 0.00 C ATOM 0 H ALA A 53 -2.650 -14.727 -11.328 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.006 -16.741 -12.990 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.505 -14.867 -13.474 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.310 -15.101 -11.721 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.455 -13.774 -12.542 1.00 0.00 H new ATOM 546 N LYS A 54 -1.607 -15.067 -14.053 1.00 0.00 N ATOM 547 CA LYS A 54 -0.788 -14.722 -15.202 1.00 0.00 C ATOM 548 C LYS A 54 0.056 -15.934 -15.603 1.00 0.00 C ATOM 549 O LYS A 54 0.439 -16.072 -16.764 1.00 0.00 O ATOM 550 CB LYS A 54 0.037 -13.466 -14.915 1.00 0.00 C ATOM 551 CG LYS A 54 -0.820 -12.205 -15.049 1.00 0.00 C ATOM 552 CD LYS A 54 -1.282 -12.007 -16.494 1.00 0.00 C ATOM 553 CE LYS A 54 -1.304 -10.523 -16.864 1.00 0.00 C ATOM 554 NZ LYS A 54 -1.188 -10.353 -18.330 1.00 0.00 N ATOM 0 H LYS A 54 -1.119 -15.038 -13.158 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.417 -14.473 -16.057 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.453 -13.522 -13.909 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.878 -13.413 -15.606 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.687 -12.279 -14.393 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.248 -11.336 -14.724 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.616 -12.544 -17.169 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.277 -12.432 -16.623 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.229 -10.068 -16.511 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.484 -10.006 -16.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.205 -9.340 -18.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.293 -10.770 -18.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.984 -10.830 -18.799 1.00 0.00 H new ATOM 567 N ARG A 55 0.322 -16.781 -14.620 1.00 0.00 N ATOM 568 CA ARG A 55 1.113 -17.977 -14.855 1.00 0.00 C ATOM 569 C ARG A 55 0.204 -19.202 -14.964 1.00 0.00 C ATOM 570 O ARG A 55 0.325 -19.988 -15.903 1.00 0.00 O ATOM 571 CB ARG A 55 2.124 -18.199 -13.728 1.00 0.00 C ATOM 572 CG ARG A 55 3.554 -18.231 -14.273 1.00 0.00 C ATOM 573 CD ARG A 55 3.912 -19.625 -14.792 1.00 0.00 C ATOM 574 NE ARG A 55 3.682 -19.696 -16.252 1.00 0.00 N ATOM 575 CZ ARG A 55 3.622 -20.848 -16.953 1.00 0.00 C ATOM 576 NH1 ARG A 55 3.775 -22.037 -16.333 1.00 0.00 N ATOM 577 NH2 ARG A 55 3.412 -20.794 -18.255 1.00 0.00 N ATOM 0 H ARG A 55 0.004 -16.663 -13.658 1.00 0.00 H new ATOM 0 HA ARG A 55 1.654 -17.838 -15.791 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.030 -17.404 -12.989 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.905 -19.137 -13.217 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.657 -17.502 -15.077 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.253 -17.941 -13.488 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.955 -19.848 -14.569 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.309 -20.377 -14.284 1.00 0.00 H new ATOM 0 HE ARG A 55 3.561 -18.820 -16.760 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.937 -22.070 -15.327 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.728 -22.902 -16.871 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.298 -19.891 -18.716 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.364 -21.655 -18.800 1.00 0.00 H new ATOM 590 N GLN A 56 -0.686 -19.328 -13.991 1.00 0.00 N ATOM 591 CA GLN A 56 -1.615 -20.445 -13.966 1.00 0.00 C ATOM 592 C GLN A 56 -2.872 -20.107 -14.770 1.00 0.00 C ATOM 593 O GLN A 56 -3.447 -20.976 -15.424 1.00 0.00 O ATOM 594 CB GLN A 56 -1.970 -20.830 -12.528 1.00 0.00 C ATOM 595 CG GLN A 56 -3.109 -21.851 -12.500 1.00 0.00 C ATOM 596 CD GLN A 56 -2.675 -23.174 -13.134 1.00 0.00 C ATOM 597 OE1 GLN A 56 -2.238 -24.098 -12.467 1.00 0.00 O ATOM 598 NE2 GLN A 56 -2.820 -23.214 -14.456 1.00 0.00 N ATOM 0 H GLN A 56 -0.784 -18.675 -13.214 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.132 -21.306 -14.429 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.093 -21.245 -12.031 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.261 -19.940 -11.970 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.423 -22.023 -11.470 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.972 -21.453 -13.034 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.192 -22.405 -14.953 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.559 -24.054 -14.972 1.00 0.00 H new ATOM 607 N GLY A 57 -3.262 -18.843 -14.695 1.00 0.00 N ATOM 608 CA GLY A 57 -4.441 -18.381 -15.408 1.00 0.00 C ATOM 609 C GLY A 57 -4.311 -18.641 -16.910 1.00 0.00 C ATOM 610 O GLY A 57 -5.297 -18.577 -17.643 1.00 0.00 O ATOM 0 H GLY A 57 -2.783 -18.125 -14.152 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.325 -18.889 -15.023 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.583 -17.315 -15.231 1.00 0.00 H new ATOM 614 N LYS A 58 -3.086 -18.929 -17.324 1.00 0.00 N ATOM 615 CA LYS A 58 -2.813 -19.199 -18.726 1.00 0.00 C ATOM 616 C LYS A 58 -3.744 -20.310 -19.216 1.00 0.00 C ATOM 617 O LYS A 58 -4.380 -20.176 -20.261 1.00 0.00 O ATOM 618 CB LYS A 58 -1.329 -19.504 -18.934 1.00 0.00 C ATOM 619 CG LYS A 58 -0.910 -19.227 -20.380 1.00 0.00 C ATOM 620 CD LYS A 58 -1.088 -20.472 -21.250 1.00 0.00 C ATOM 621 CE LYS A 58 0.220 -21.258 -21.358 1.00 0.00 C ATOM 622 NZ LYS A 58 0.356 -21.855 -22.705 1.00 0.00 N ATOM 0 H LYS A 58 -2.271 -18.981 -16.713 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.021 -18.317 -19.332 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.730 -18.896 -18.255 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.130 -20.547 -18.687 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.505 -18.408 -20.784 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.132 -18.907 -20.406 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.865 -21.108 -20.826 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.424 -20.180 -22.245 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.065 -20.599 -21.159 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.243 -22.043 -20.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.249 -22.385 -22.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.441 -22.500 -22.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.355 -21.101 -23.421 1.00 0.00 H new ATOM 635 N GLU A 59 -3.794 -21.383 -18.440 1.00 0.00 N ATOM 636 CA GLU A 59 -4.636 -22.516 -18.782 1.00 0.00 C ATOM 637 C GLU A 59 -6.055 -22.303 -18.251 1.00 0.00 C ATOM 638 O GLU A 59 -6.970 -23.047 -18.599 1.00 0.00 O ATOM 639 CB GLU A 59 -4.041 -23.821 -18.250 1.00 0.00 C ATOM 640 CG GLU A 59 -2.775 -24.201 -19.019 1.00 0.00 C ATOM 641 CD GLU A 59 -2.375 -25.650 -18.736 1.00 0.00 C ATOM 642 OE1 GLU A 59 -1.757 -25.931 -17.697 1.00 0.00 O ATOM 643 OE2 GLU A 59 -2.728 -26.500 -19.639 1.00 0.00 O ATOM 0 H GLU A 59 -3.264 -21.491 -17.575 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.684 -22.593 -19.868 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.808 -23.713 -17.191 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.776 -24.621 -18.335 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.941 -24.068 -20.088 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.960 -23.534 -18.738 1.00 0.00 H new ATOM 651 N MET A 60 -6.193 -21.284 -17.416 1.00 0.00 N ATOM 652 CA MET A 60 -7.485 -20.963 -16.833 1.00 0.00 C ATOM 653 C MET A 60 -8.231 -22.234 -16.422 1.00 0.00 C ATOM 654 O MET A 60 -9.461 -22.256 -16.399 1.00 0.00 O ATOM 655 CB MET A 60 -8.324 -20.184 -17.848 1.00 0.00 C ATOM 656 CG MET A 60 -9.555 -19.565 -17.182 1.00 0.00 C ATOM 657 SD MET A 60 -9.297 -17.818 -16.926 1.00 0.00 S ATOM 658 CE MET A 60 -8.720 -17.834 -15.236 1.00 0.00 C ATOM 0 H MET A 60 -5.431 -20.669 -17.129 1.00 0.00 H new ATOM 0 HA MET A 60 -7.321 -20.356 -15.943 1.00 0.00 H new ATOM 0 HB2 MET A 60 -7.718 -19.399 -18.300 1.00 0.00 H new ATOM 0 HB3 MET A 60 -8.637 -20.849 -18.653 1.00 0.00 H new ATOM 0 HG2 MET A 60 -10.435 -19.723 -17.806 1.00 0.00 H new ATOM 0 HG3 MET A 60 -9.748 -20.056 -16.228 1.00 0.00 H new ATOM 0 HE1 MET A 60 -9.097 -16.954 -14.715 1.00 0.00 H new ATOM 0 HE2 MET A 60 -9.080 -18.734 -14.737 1.00 0.00 H new ATOM 0 HE3 MET A 60 -7.630 -17.824 -15.224 1.00 0.00 H new ATOM 668 N ASP A 61 -7.456 -23.262 -16.109 1.00 0.00 N ATOM 669 CA ASP A 61 -8.029 -24.533 -15.700 1.00 0.00 C ATOM 670 C ASP A 61 -7.962 -24.652 -14.176 1.00 0.00 C ATOM 671 O ASP A 61 -8.540 -25.569 -13.595 1.00 0.00 O ATOM 672 CB ASP A 61 -7.251 -25.706 -16.300 1.00 0.00 C ATOM 673 CG ASP A 61 -7.616 -26.054 -17.744 1.00 0.00 C ATOM 674 OD1 ASP A 61 -7.101 -25.450 -18.697 1.00 0.00 O ATOM 675 OD2 ASP A 61 -8.482 -27.001 -17.874 1.00 0.00 O ATOM 0 H ASP A 61 -6.436 -23.241 -16.130 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.060 -24.566 -16.051 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.186 -25.477 -16.256 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.414 -26.586 -15.678 1.00 0.00 H new ATOM 681 N SER A 62 -7.251 -23.711 -13.572 1.00 0.00 N ATOM 682 CA SER A 62 -7.101 -23.698 -12.127 1.00 0.00 C ATOM 683 C SER A 62 -7.652 -22.390 -11.555 1.00 0.00 C ATOM 684 O SER A 62 -7.224 -21.307 -11.950 1.00 0.00 O ATOM 685 CB SER A 62 -5.636 -23.878 -11.724 1.00 0.00 C ATOM 686 OG SER A 62 -4.954 -24.788 -12.583 1.00 0.00 O ATOM 0 H SER A 62 -6.772 -22.952 -14.057 1.00 0.00 H new ATOM 0 HA SER A 62 -7.668 -24.534 -11.717 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.132 -22.912 -11.747 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.584 -24.241 -10.697 1.00 0.00 H new ATOM 0 HG SER A 62 -5.604 -25.383 -13.011 1.00 0.00 H new ATOM 692 N LEU A 63 -8.594 -22.534 -10.634 1.00 0.00 N ATOM 693 CA LEU A 63 -9.207 -21.378 -10.004 1.00 0.00 C ATOM 694 C LEU A 63 -9.346 -21.634 -8.502 1.00 0.00 C ATOM 695 O LEU A 63 -10.225 -21.072 -7.852 1.00 0.00 O ATOM 696 CB LEU A 63 -10.529 -21.031 -10.693 1.00 0.00 C ATOM 697 CG LEU A 63 -11.151 -22.138 -11.546 1.00 0.00 C ATOM 698 CD1 LEU A 63 -12.679 -22.048 -11.532 1.00 0.00 C ATOM 699 CD2 LEU A 63 -10.589 -22.115 -12.969 1.00 0.00 C ATOM 0 H LEU A 63 -8.947 -23.434 -10.309 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.572 -20.500 -10.121 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.249 -20.741 -9.928 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.368 -20.159 -11.326 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.881 -23.099 -11.108 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.096 -22.846 -12.146 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -13.040 -22.151 -10.509 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.990 -21.083 -11.931 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.048 -22.912 -13.554 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.809 -21.153 -13.431 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.510 -22.264 -12.936 1.00 0.00 H new ATOM 711 N ARG A 64 -8.464 -22.483 -7.996 1.00 0.00 N ATOM 712 CA ARG A 64 -8.476 -22.821 -6.582 1.00 0.00 C ATOM 713 C ARG A 64 -7.347 -22.091 -5.852 1.00 0.00 C ATOM 714 O ARG A 64 -6.265 -22.646 -5.663 1.00 0.00 O ATOM 715 CB ARG A 64 -8.319 -24.328 -6.375 1.00 0.00 C ATOM 716 CG ARG A 64 -8.830 -24.748 -4.995 1.00 0.00 C ATOM 717 CD ARG A 64 -8.411 -26.183 -4.669 1.00 0.00 C ATOM 718 NE ARG A 64 -9.050 -26.623 -3.408 1.00 0.00 N ATOM 719 CZ ARG A 64 -9.312 -27.911 -3.101 1.00 0.00 C ATOM 720 NH1 ARG A 64 -8.992 -28.899 -3.963 1.00 0.00 N ATOM 721 NH2 ARG A 64 -9.886 -28.189 -1.946 1.00 0.00 N ATOM 0 H ARG A 64 -7.736 -22.947 -8.539 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.437 -22.509 -6.174 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.868 -24.864 -7.149 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.270 -24.606 -6.478 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.439 -24.070 -4.237 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.917 -24.667 -4.965 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.698 -26.848 -5.483 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.327 -26.242 -4.577 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.309 -25.908 -2.728 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.549 -28.675 -4.854 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.193 -29.870 -3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.125 -27.436 -1.301 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.091 -29.157 -1.698 1.00 0.00 H new ATOM 734 N PHE A 65 -7.636 -20.859 -5.462 1.00 0.00 N ATOM 735 CA PHE A 65 -6.659 -20.048 -4.757 1.00 0.00 C ATOM 736 C PHE A 65 -6.708 -20.315 -3.251 1.00 0.00 C ATOM 737 O PHE A 65 -7.735 -20.094 -2.611 1.00 0.00 O ATOM 738 CB PHE A 65 -7.021 -18.584 -5.015 1.00 0.00 C ATOM 739 CG PHE A 65 -8.367 -18.162 -4.421 1.00 0.00 C ATOM 740 CD1 PHE A 65 -8.429 -17.685 -3.149 1.00 0.00 C ATOM 741 CD2 PHE A 65 -9.501 -18.265 -5.165 1.00 0.00 C ATOM 742 CE1 PHE A 65 -9.677 -17.293 -2.598 1.00 0.00 C ATOM 743 CE2 PHE A 65 -10.749 -17.874 -4.613 1.00 0.00 C ATOM 744 CZ PHE A 65 -10.811 -17.396 -3.342 1.00 0.00 C ATOM 0 H PHE A 65 -8.534 -20.402 -5.621 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.655 -20.287 -5.109 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.238 -17.948 -4.602 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.039 -18.409 -6.091 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.529 -17.604 -2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.452 -18.644 -6.175 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.726 -16.913 -1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.650 -17.956 -5.203 1.00 0.00 H new ATOM 0 HZ PHE A 65 -11.761 -17.098 -2.923 1.00 0.00 H new ATOM 754 N LEU A 66 -5.585 -20.787 -2.729 1.00 0.00 N ATOM 755 CA LEU A 66 -5.488 -21.086 -1.311 1.00 0.00 C ATOM 756 C LEU A 66 -4.013 -21.137 -0.905 1.00 0.00 C ATOM 757 O LEU A 66 -3.133 -21.216 -1.760 1.00 0.00 O ATOM 758 CB LEU A 66 -6.261 -22.364 -0.978 1.00 0.00 C ATOM 759 CG LEU A 66 -5.496 -23.677 -1.157 1.00 0.00 C ATOM 760 CD1 LEU A 66 -4.538 -23.917 0.012 1.00 0.00 C ATOM 761 CD2 LEU A 66 -6.457 -24.849 -1.360 1.00 0.00 C ATOM 0 H LEU A 66 -4.735 -20.969 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.955 -20.296 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.599 -22.301 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.153 -22.398 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.890 -23.598 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.007 -24.857 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.820 -23.099 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.104 -23.967 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.887 -25.770 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.108 -24.940 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.062 -24.674 -2.250 1.00 0.00 H new ATOM 773 N TYR A 67 -3.790 -21.088 0.401 1.00 0.00 N ATOM 774 CA TYR A 67 -2.438 -21.128 0.930 1.00 0.00 C ATOM 775 C TYR A 67 -2.170 -22.449 1.654 1.00 0.00 C ATOM 776 O TYR A 67 -1.081 -23.009 1.548 1.00 0.00 O ATOM 777 CB TYR A 67 -2.346 -19.980 1.938 1.00 0.00 C ATOM 778 CG TYR A 67 -1.061 -19.982 2.769 1.00 0.00 C ATOM 779 CD1 TYR A 67 -0.854 -20.964 3.716 1.00 0.00 C ATOM 780 CD2 TYR A 67 -0.110 -19.002 2.570 1.00 0.00 C ATOM 781 CE1 TYR A 67 0.356 -20.966 4.497 1.00 0.00 C ATOM 782 CE2 TYR A 67 1.099 -19.004 3.352 1.00 0.00 C ATOM 783 CZ TYR A 67 1.273 -19.986 4.277 1.00 0.00 C ATOM 784 OH TYR A 67 2.415 -19.988 5.015 1.00 0.00 O ATOM 0 H TYR A 67 -4.523 -21.021 1.107 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.709 -21.038 0.125 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.419 -19.033 1.402 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.202 -20.032 2.611 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.599 -21.731 3.871 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.272 -18.234 1.828 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.531 -21.729 5.241 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.851 -18.243 3.207 1.00 0.00 H new ATOM 0 HH TYR A 67 2.978 -19.231 4.749 1.00 0.00 H new ATOM 794 N ASP A 68 -3.183 -22.908 2.374 1.00 0.00 N ATOM 795 CA ASP A 68 -3.071 -24.153 3.115 1.00 0.00 C ATOM 796 C ASP A 68 -4.033 -25.183 2.521 1.00 0.00 C ATOM 797 O ASP A 68 -3.608 -26.110 1.833 1.00 0.00 O ATOM 798 CB ASP A 68 -3.442 -23.953 4.586 1.00 0.00 C ATOM 799 CG ASP A 68 -2.257 -23.928 5.554 1.00 0.00 C ATOM 800 OD1 ASP A 68 -1.173 -23.424 5.224 1.00 0.00 O ATOM 801 OD2 ASP A 68 -2.482 -24.464 6.706 1.00 0.00 O ATOM 0 H ASP A 68 -4.085 -22.440 2.460 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.038 -24.495 3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.991 -23.016 4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.120 -24.752 4.886 1.00 0.00 H new ATOM 807 N GLY A 69 -5.312 -24.987 2.808 1.00 0.00 N ATOM 808 CA GLY A 69 -6.338 -25.888 2.311 1.00 0.00 C ATOM 809 C GLY A 69 -7.734 -25.394 2.695 1.00 0.00 C ATOM 810 O GLY A 69 -8.622 -26.195 2.983 1.00 0.00 O ATOM 0 H GLY A 69 -5.661 -24.217 3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.262 -25.968 1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.177 -26.887 2.717 1.00 0.00 H new ATOM 814 N ILE A 70 -7.884 -24.078 2.688 1.00 0.00 N ATOM 815 CA ILE A 70 -9.157 -23.468 3.032 1.00 0.00 C ATOM 816 C ILE A 70 -9.281 -22.119 2.321 1.00 0.00 C ATOM 817 O ILE A 70 -9.806 -21.161 2.886 1.00 0.00 O ATOM 818 CB ILE A 70 -9.315 -23.379 4.551 1.00 0.00 C ATOM 819 CG1 ILE A 70 -8.347 -22.353 5.144 1.00 0.00 C ATOM 820 CG2 ILE A 70 -9.160 -24.756 5.201 1.00 0.00 C ATOM 821 CD1 ILE A 70 -7.066 -23.030 5.637 1.00 0.00 C ATOM 0 H ILE A 70 -7.145 -23.417 2.449 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.983 -24.089 2.684 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.325 -23.032 4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.100 -21.603 4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.827 -21.830 5.971 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -9.277 -24.664 6.281 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.921 -25.431 4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.171 -25.155 4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.395 -22.279 6.054 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.314 -23.762 6.406 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.576 -23.532 4.803 1.00 0.00 H new ATOM 833 N ARG A 71 -8.789 -22.088 1.091 1.00 0.00 N ATOM 834 CA ARG A 71 -8.838 -20.872 0.296 1.00 0.00 C ATOM 835 C ARG A 71 -8.318 -19.685 1.110 1.00 0.00 C ATOM 836 O ARG A 71 -9.021 -18.690 1.281 1.00 0.00 O ATOM 837 CB ARG A 71 -10.264 -20.576 -0.171 1.00 0.00 C ATOM 838 CG ARG A 71 -10.609 -21.383 -1.425 1.00 0.00 C ATOM 839 CD ARG A 71 -12.070 -21.175 -1.826 1.00 0.00 C ATOM 840 NE ARG A 71 -12.933 -22.146 -1.116 1.00 0.00 N ATOM 841 CZ ARG A 71 -13.499 -21.917 0.087 1.00 0.00 C ATOM 842 NH1 ARG A 71 -13.299 -20.745 0.727 1.00 0.00 N ATOM 843 NH2 ARG A 71 -14.252 -22.856 0.630 1.00 0.00 N ATOM 0 H ARG A 71 -8.355 -22.885 0.626 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.206 -21.022 -0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.968 -20.816 0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.369 -19.511 -0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.957 -21.083 -2.245 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -10.426 -22.442 -1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.380 -20.158 -1.587 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -12.181 -21.297 -2.903 1.00 0.00 H new ATOM 0 HE ARG A 71 -13.111 -23.045 -1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.716 -20.024 0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.731 -20.580 1.636 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -14.399 -23.739 0.140 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.687 -22.699 1.539 1.00 0.00 H new ATOM 856 N ILE A 72 -7.092 -19.829 1.591 1.00 0.00 N ATOM 857 CA ILE A 72 -6.471 -18.781 2.383 1.00 0.00 C ATOM 858 C ILE A 72 -5.229 -18.265 1.653 1.00 0.00 C ATOM 859 O ILE A 72 -4.811 -18.840 0.649 1.00 0.00 O ATOM 860 CB ILE A 72 -6.188 -19.278 3.802 1.00 0.00 C ATOM 861 CG1 ILE A 72 -5.477 -20.632 3.778 1.00 0.00 C ATOM 862 CG2 ILE A 72 -7.472 -19.319 4.634 1.00 0.00 C ATOM 863 CD1 ILE A 72 -4.315 -20.659 4.772 1.00 0.00 C ATOM 0 H ILE A 72 -6.512 -20.656 1.448 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.150 -17.936 2.496 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.514 -18.570 4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.186 -21.423 4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.106 -20.834 2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.244 -19.676 5.638 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.900 -18.318 4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.189 -19.993 4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.827 -21.633 4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.596 -19.882 4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.693 -20.481 5.779 1.00 0.00 H new ATOM 875 N GLN A 73 -4.673 -17.187 2.187 1.00 0.00 N ATOM 876 CA GLN A 73 -3.487 -16.588 1.599 1.00 0.00 C ATOM 877 C GLN A 73 -2.411 -16.382 2.667 1.00 0.00 C ATOM 878 O GLN A 73 -2.618 -16.714 3.833 1.00 0.00 O ATOM 879 CB GLN A 73 -3.827 -15.269 0.902 1.00 0.00 C ATOM 880 CG GLN A 73 -5.300 -15.231 0.489 1.00 0.00 C ATOM 881 CD GLN A 73 -6.206 -15.028 1.706 1.00 0.00 C ATOM 882 OE1 GLN A 73 -5.767 -15.021 2.844 1.00 0.00 O ATOM 883 NE2 GLN A 73 -7.490 -14.862 1.403 1.00 0.00 N ATOM 0 H GLN A 73 -5.022 -16.713 3.020 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.096 -17.270 0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.611 -14.435 1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.196 -15.145 0.022 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.460 -14.424 -0.227 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.564 -16.161 -0.015 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.790 -14.879 0.428 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.175 -14.718 2.145 1.00 0.00 H new ATOM 892 N ALA A 74 -1.286 -15.836 2.231 1.00 0.00 N ATOM 893 CA ALA A 74 -0.178 -15.581 3.135 1.00 0.00 C ATOM 894 C ALA A 74 -0.420 -14.265 3.875 1.00 0.00 C ATOM 895 O ALA A 74 -0.853 -14.267 5.027 1.00 0.00 O ATOM 896 CB ALA A 74 1.133 -15.574 2.346 1.00 0.00 C ATOM 0 H ALA A 74 -1.118 -15.563 1.263 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.104 -16.370 3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.965 -15.383 3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.273 -16.542 1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.097 -14.793 1.587 1.00 0.00 H new ATOM 902 N ASP A 75 -0.131 -13.172 3.184 1.00 0.00 N ATOM 903 CA ASP A 75 -0.313 -11.851 3.762 1.00 0.00 C ATOM 904 C ASP A 75 -1.437 -11.125 3.020 1.00 0.00 C ATOM 905 O ASP A 75 -1.296 -9.956 2.663 1.00 0.00 O ATOM 906 CB ASP A 75 0.960 -11.013 3.629 1.00 0.00 C ATOM 907 CG ASP A 75 2.267 -11.796 3.762 1.00 0.00 C ATOM 908 OD1 ASP A 75 3.265 -11.492 3.092 1.00 0.00 O ATOM 909 OD2 ASP A 75 2.236 -12.770 4.608 1.00 0.00 O ATOM 0 H ASP A 75 0.228 -13.174 2.229 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.555 -11.974 4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.949 -10.515 2.659 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.943 -10.232 4.389 1.00 0.00 H new ATOM 915 N GLN A 76 -2.527 -11.848 2.809 1.00 0.00 N ATOM 916 CA GLN A 76 -3.674 -11.287 2.116 1.00 0.00 C ATOM 917 C GLN A 76 -4.247 -10.108 2.905 1.00 0.00 C ATOM 918 O GLN A 76 -5.070 -9.353 2.390 1.00 0.00 O ATOM 919 CB GLN A 76 -4.743 -12.354 1.871 1.00 0.00 C ATOM 920 CG GLN A 76 -6.144 -11.739 1.879 1.00 0.00 C ATOM 921 CD GLN A 76 -6.609 -11.453 3.308 1.00 0.00 C ATOM 922 OE1 GLN A 76 -6.072 -11.964 4.278 1.00 0.00 O ATOM 923 NE2 GLN A 76 -7.635 -10.610 3.385 1.00 0.00 N ATOM 0 H GLN A 76 -2.640 -12.817 3.106 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.343 -10.922 1.144 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.562 -12.842 0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.676 -13.124 2.639 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.143 -10.815 1.301 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.846 -12.417 1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.038 -10.218 2.534 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.019 -10.356 4.295 1.00 0.00 H new ATOM 932 N THR A 77 -3.789 -9.987 4.143 1.00 0.00 N ATOM 933 CA THR A 77 -4.246 -8.913 5.008 1.00 0.00 C ATOM 934 C THR A 77 -3.468 -7.628 4.719 1.00 0.00 C ATOM 935 O THR A 77 -2.280 -7.674 4.404 1.00 0.00 O ATOM 936 CB THR A 77 -4.118 -9.387 6.457 1.00 0.00 C ATOM 937 OG1 THR A 77 -4.504 -10.758 6.409 1.00 0.00 O ATOM 938 CG2 THR A 77 -5.154 -8.740 7.378 1.00 0.00 C ATOM 0 H THR A 77 -3.106 -10.615 4.567 1.00 0.00 H new ATOM 0 HA THR A 77 -5.292 -8.672 4.820 1.00 0.00 H new ATOM 0 HB THR A 77 -3.116 -9.164 6.825 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.143 -10.893 5.678 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.019 -9.111 8.394 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.026 -7.658 7.366 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.156 -8.990 7.031 1.00 0.00 H new ATOM 946 N PRO A 78 -4.189 -6.481 4.838 1.00 0.00 N ATOM 947 CA PRO A 78 -3.580 -5.185 4.593 1.00 0.00 C ATOM 948 C PRO A 78 -2.672 -4.776 5.755 1.00 0.00 C ATOM 949 O PRO A 78 -1.883 -3.841 5.633 1.00 0.00 O ATOM 950 CB PRO A 78 -4.747 -4.233 4.388 1.00 0.00 C ATOM 951 CG PRO A 78 -5.961 -4.929 4.983 1.00 0.00 C ATOM 952 CD PRO A 78 -5.598 -6.388 5.208 1.00 0.00 C ATOM 0 HA PRO A 78 -2.927 -5.187 3.720 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.564 -3.278 4.881 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.898 -4.022 3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.249 -4.458 5.923 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.815 -4.847 4.311 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.755 -6.679 6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.213 -7.048 4.596 1.00 0.00 H new ATOM 960 N GLU A 79 -2.815 -5.499 6.857 1.00 0.00 N ATOM 961 CA GLU A 79 -2.018 -5.223 8.040 1.00 0.00 C ATOM 962 C GLU A 79 -0.761 -6.095 8.049 1.00 0.00 C ATOM 963 O GLU A 79 0.244 -5.736 8.659 1.00 0.00 O ATOM 964 CB GLU A 79 -2.839 -5.432 9.315 1.00 0.00 C ATOM 965 CG GLU A 79 -2.590 -4.305 10.318 1.00 0.00 C ATOM 966 CD GLU A 79 -3.345 -4.557 11.625 1.00 0.00 C ATOM 967 OE1 GLU A 79 -4.539 -4.237 11.722 1.00 0.00 O ATOM 968 OE2 GLU A 79 -2.648 -5.107 12.560 1.00 0.00 O ATOM 0 H GLU A 79 -3.470 -6.275 6.955 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.711 -4.178 8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.899 -5.474 9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.579 -6.389 9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.522 -4.223 10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.907 -3.355 9.888 1.00 0.00 H new ATOM 976 N ASP A 80 -0.859 -7.225 7.364 1.00 0.00 N ATOM 977 CA ASP A 80 0.258 -8.152 7.285 1.00 0.00 C ATOM 978 C ASP A 80 1.214 -7.697 6.181 1.00 0.00 C ATOM 979 O ASP A 80 2.421 -7.604 6.400 1.00 0.00 O ATOM 980 CB ASP A 80 -0.222 -9.564 6.943 1.00 0.00 C ATOM 981 CG ASP A 80 0.766 -10.682 7.284 1.00 0.00 C ATOM 982 OD1 ASP A 80 1.345 -10.711 8.380 1.00 0.00 O ATOM 983 OD2 ASP A 80 0.935 -11.562 6.356 1.00 0.00 O ATOM 0 H ASP A 80 -1.694 -7.520 6.859 1.00 0.00 H new ATOM 0 HA ASP A 80 0.756 -8.165 8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.157 -9.752 7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.444 -9.608 5.877 1.00 0.00 H new ATOM 989 N LEU A 81 0.639 -7.426 5.018 1.00 0.00 N ATOM 990 CA LEU A 81 1.426 -6.983 3.879 1.00 0.00 C ATOM 991 C LEU A 81 2.107 -5.656 4.220 1.00 0.00 C ATOM 992 O LEU A 81 3.286 -5.466 3.927 1.00 0.00 O ATOM 993 CB LEU A 81 0.559 -6.924 2.620 1.00 0.00 C ATOM 994 CG LEU A 81 -0.685 -6.038 2.703 1.00 0.00 C ATOM 995 CD1 LEU A 81 -0.367 -4.604 2.279 1.00 0.00 C ATOM 996 CD2 LEU A 81 -1.838 -6.634 1.892 1.00 0.00 C ATOM 0 H LEU A 81 -0.362 -7.505 4.840 1.00 0.00 H new ATOM 0 HA LEU A 81 2.217 -7.700 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.177 -6.572 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.243 -7.937 2.373 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.009 -6.001 3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.269 -3.996 2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.399 -4.192 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.004 -4.600 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.710 -5.985 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.541 -6.722 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.086 -7.621 2.283 1.00 0.00 H new ATOM 1008 N ASP A 82 1.335 -4.772 4.835 1.00 0.00 N ATOM 1009 CA ASP A 82 1.848 -3.469 5.219 1.00 0.00 C ATOM 1010 C ASP A 82 3.042 -3.652 6.158 1.00 0.00 C ATOM 1011 O ASP A 82 3.944 -2.817 6.192 1.00 0.00 O ATOM 1012 CB ASP A 82 0.786 -2.654 5.959 1.00 0.00 C ATOM 1013 CG ASP A 82 1.205 -1.230 6.330 1.00 0.00 C ATOM 1014 OD1 ASP A 82 2.105 -0.647 5.708 1.00 0.00 O ATOM 1015 OD2 ASP A 82 0.557 -0.711 7.317 1.00 0.00 O ATOM 0 H ASP A 82 0.357 -4.933 5.077 1.00 0.00 H new ATOM 0 HA ASP A 82 2.139 -2.941 4.311 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.109 -2.603 5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.512 -3.185 6.871 1.00 0.00 H new ATOM 1021 N MET A 83 3.009 -4.751 6.898 1.00 0.00 N ATOM 1022 CA MET A 83 4.077 -5.055 7.835 1.00 0.00 C ATOM 1023 C MET A 83 5.126 -5.967 7.194 1.00 0.00 C ATOM 1024 O MET A 83 6.197 -5.507 6.801 1.00 0.00 O ATOM 1025 CB MET A 83 3.492 -5.739 9.072 1.00 0.00 C ATOM 1026 CG MET A 83 3.588 -4.828 10.298 1.00 0.00 C ATOM 1027 SD MET A 83 1.990 -4.118 10.657 1.00 0.00 S ATOM 1028 CE MET A 83 1.088 -5.592 11.101 1.00 0.00 C ATOM 0 H MET A 83 2.259 -5.442 6.867 1.00 0.00 H new ATOM 0 HA MET A 83 4.561 -4.121 8.121 1.00 0.00 H new ATOM 0 HB2 MET A 83 2.450 -6.000 8.889 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.025 -6.670 9.264 1.00 0.00 H new ATOM 0 HG2 MET A 83 3.944 -5.397 11.157 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.315 -4.036 10.117 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.093 -5.557 10.657 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.620 -6.469 10.732 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.999 -5.651 12.186 1.00 0.00 H new ATOM 1038 N GLU A 84 4.780 -7.243 7.109 1.00 0.00 N ATOM 1039 CA GLU A 84 5.678 -8.224 6.523 1.00 0.00 C ATOM 1040 C GLU A 84 5.996 -7.853 5.074 1.00 0.00 C ATOM 1041 O GLU A 84 5.386 -6.943 4.514 1.00 0.00 O ATOM 1042 CB GLU A 84 5.085 -9.632 6.612 1.00 0.00 C ATOM 1043 CG GLU A 84 6.186 -10.693 6.588 1.00 0.00 C ATOM 1044 CD GLU A 84 5.958 -11.744 7.677 1.00 0.00 C ATOM 1045 OE1 GLU A 84 5.197 -11.499 8.625 1.00 0.00 O ATOM 1046 OE2 GLU A 84 6.603 -12.849 7.512 1.00 0.00 O ATOM 0 H GLU A 84 3.891 -7.620 7.436 1.00 0.00 H new ATOM 0 HA GLU A 84 6.609 -8.221 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.503 -9.728 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.400 -9.795 5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.210 -11.176 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.157 -10.219 6.733 1.00 0.00 H new ATOM 1054 N ASP A 85 6.951 -8.576 4.507 1.00 0.00 N ATOM 1055 CA ASP A 85 7.357 -8.335 3.133 1.00 0.00 C ATOM 1056 C ASP A 85 7.757 -9.661 2.484 1.00 0.00 C ATOM 1057 O ASP A 85 8.937 -10.006 2.444 1.00 0.00 O ATOM 1058 CB ASP A 85 8.564 -7.396 3.073 1.00 0.00 C ATOM 1059 CG ASP A 85 9.570 -7.562 4.214 1.00 0.00 C ATOM 1060 OD1 ASP A 85 9.242 -8.100 5.282 1.00 0.00 O ATOM 1061 OD2 ASP A 85 10.752 -7.106 3.969 1.00 0.00 O ATOM 0 H ASP A 85 7.455 -9.329 4.975 1.00 0.00 H new ATOM 0 HA ASP A 85 6.518 -7.879 2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.081 -7.554 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.205 -6.367 3.072 1.00 0.00 H new ATOM 1067 N ASN A 86 6.752 -10.369 1.990 1.00 0.00 N ATOM 1068 CA ASN A 86 6.984 -11.649 1.344 1.00 0.00 C ATOM 1069 C ASN A 86 5.658 -12.192 0.808 1.00 0.00 C ATOM 1070 O ASN A 86 4.908 -12.840 1.536 1.00 0.00 O ATOM 1071 CB ASN A 86 7.548 -12.671 2.334 1.00 0.00 C ATOM 1072 CG ASN A 86 9.044 -12.892 2.102 1.00 0.00 C ATOM 1073 OD1 ASN A 86 9.568 -12.680 1.021 1.00 0.00 O ATOM 1074 ND2 ASN A 86 9.699 -13.327 3.174 1.00 0.00 N ATOM 0 H ASN A 86 5.774 -10.080 2.024 1.00 0.00 H new ATOM 0 HA ASN A 86 7.700 -11.495 0.537 1.00 0.00 H new ATOM 0 HB2 ASN A 86 7.382 -12.324 3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 86 7.016 -13.617 2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 86 10.702 -13.504 3.122 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.198 -13.484 4.049 1.00 0.00 H new ATOM 1081 N ASP A 87 5.410 -11.909 -0.463 1.00 0.00 N ATOM 1082 CA ASP A 87 4.188 -12.361 -1.106 1.00 0.00 C ATOM 1083 C ASP A 87 4.392 -13.781 -1.637 1.00 0.00 C ATOM 1084 O ASP A 87 5.265 -14.017 -2.471 1.00 0.00 O ATOM 1085 CB ASP A 87 3.823 -11.462 -2.288 1.00 0.00 C ATOM 1086 CG ASP A 87 2.660 -11.963 -3.147 1.00 0.00 C ATOM 1087 OD1 ASP A 87 2.306 -13.151 -3.112 1.00 0.00 O ATOM 1088 OD2 ASP A 87 2.101 -11.065 -3.885 1.00 0.00 O ATOM 0 H ASP A 87 6.035 -11.372 -1.064 1.00 0.00 H new ATOM 0 HA ASP A 87 3.387 -12.329 -0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.574 -10.471 -1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.701 -11.348 -2.923 1.00 0.00 H new ATOM 1094 N ILE A 88 3.571 -14.691 -1.132 1.00 0.00 N ATOM 1095 CA ILE A 88 3.650 -16.082 -1.546 1.00 0.00 C ATOM 1096 C ILE A 88 2.327 -16.780 -1.228 1.00 0.00 C ATOM 1097 O ILE A 88 1.824 -16.686 -0.109 1.00 0.00 O ATOM 1098 CB ILE A 88 4.869 -16.759 -0.917 1.00 0.00 C ATOM 1099 CG1 ILE A 88 4.450 -17.952 -0.056 1.00 0.00 C ATOM 1100 CG2 ILE A 88 5.711 -15.752 -0.130 1.00 0.00 C ATOM 1101 CD1 ILE A 88 3.842 -17.486 1.269 1.00 0.00 C ATOM 0 H ILE A 88 2.848 -14.492 -0.440 1.00 0.00 H new ATOM 0 HA ILE A 88 3.796 -16.151 -2.624 1.00 0.00 H new ATOM 0 HB ILE A 88 5.497 -17.146 -1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.726 -18.560 -0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.315 -18.585 0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.571 -16.260 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.056 -14.964 -0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.106 -15.314 0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.553 -18.354 1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.577 -16.899 1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.963 -16.873 1.070 1.00 0.00 H new ATOM 1113 N ILE A 89 1.799 -17.465 -2.232 1.00 0.00 N ATOM 1114 CA ILE A 89 0.544 -18.179 -2.073 1.00 0.00 C ATOM 1115 C ILE A 89 0.515 -19.370 -3.033 1.00 0.00 C ATOM 1116 O ILE A 89 1.367 -19.484 -3.913 1.00 0.00 O ATOM 1117 CB ILE A 89 -0.640 -17.224 -2.242 1.00 0.00 C ATOM 1118 CG1 ILE A 89 -0.286 -15.819 -1.749 1.00 0.00 C ATOM 1119 CG2 ILE A 89 -1.891 -17.775 -1.554 1.00 0.00 C ATOM 1120 CD1 ILE A 89 -1.416 -14.832 -2.050 1.00 0.00 C ATOM 0 H ILE A 89 2.218 -17.540 -3.159 1.00 0.00 H new ATOM 0 HA ILE A 89 0.459 -18.581 -1.063 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.866 -17.144 -3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.096 -15.843 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.633 -15.482 -2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.718 -17.077 -1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.153 -18.738 -1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.694 -17.903 -0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.139 -13.841 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.587 -14.792 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.327 -15.159 -1.549 1.00 0.00 H new ATOM 1132 N GLU A 90 -0.475 -20.227 -2.831 1.00 0.00 N ATOM 1133 CA GLU A 90 -0.626 -21.406 -3.668 1.00 0.00 C ATOM 1134 C GLU A 90 -1.863 -21.270 -4.558 1.00 0.00 C ATOM 1135 O GLU A 90 -2.957 -20.990 -4.069 1.00 0.00 O ATOM 1136 CB GLU A 90 -0.700 -22.676 -2.818 1.00 0.00 C ATOM 1137 CG GLU A 90 -0.653 -23.927 -3.696 1.00 0.00 C ATOM 1138 CD GLU A 90 0.736 -24.569 -3.662 1.00 0.00 C ATOM 1139 OE1 GLU A 90 1.277 -24.817 -2.574 1.00 0.00 O ATOM 1140 OE2 GLU A 90 1.253 -24.813 -4.818 1.00 0.00 O ATOM 0 H GLU A 90 -1.180 -20.129 -2.101 1.00 0.00 H new ATOM 0 HA GLU A 90 0.252 -21.487 -4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.129 -22.693 -2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.619 -22.673 -2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.398 -24.645 -3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.912 -23.665 -4.722 1.00 0.00 H new ATOM 1148 N ALA A 91 -1.649 -21.473 -5.849 1.00 0.00 N ATOM 1149 CA ALA A 91 -2.733 -21.376 -6.812 1.00 0.00 C ATOM 1150 C ALA A 91 -3.109 -22.779 -7.293 1.00 0.00 C ATOM 1151 O ALA A 91 -2.498 -23.305 -8.222 1.00 0.00 O ATOM 1152 CB ALA A 91 -2.314 -20.459 -7.962 1.00 0.00 C ATOM 0 H ALA A 91 -0.741 -21.704 -6.251 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.618 -20.937 -6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.127 -20.386 -8.684 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.086 -19.467 -7.572 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.430 -20.869 -8.451 1.00 0.00 H new ATOM 1158 N HIS A 92 -4.112 -23.346 -6.639 1.00 0.00 N ATOM 1159 CA HIS A 92 -4.576 -24.677 -6.988 1.00 0.00 C ATOM 1160 C HIS A 92 -5.570 -24.587 -8.148 1.00 0.00 C ATOM 1161 O HIS A 92 -5.830 -23.501 -8.664 1.00 0.00 O ATOM 1162 CB HIS A 92 -5.158 -25.388 -5.765 1.00 0.00 C ATOM 1163 CG HIS A 92 -4.144 -26.186 -4.979 1.00 0.00 C ATOM 1164 ND1 HIS A 92 -2.801 -25.856 -4.935 1.00 0.00 N ATOM 1165 CD2 HIS A 92 -4.292 -27.301 -4.207 1.00 0.00 C ATOM 1166 CE1 HIS A 92 -2.178 -26.739 -4.169 1.00 0.00 C ATOM 1167 NE2 HIS A 92 -3.103 -27.634 -3.719 1.00 0.00 N ATOM 0 H HIS A 92 -4.616 -22.907 -5.869 1.00 0.00 H new ATOM 0 HA HIS A 92 -3.733 -25.282 -7.322 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -5.610 -24.646 -5.107 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -5.957 -26.055 -6.091 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -5.219 -27.824 -4.024 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -1.122 -26.748 -3.941 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -2.913 -28.428 -3.108 1.00 0.00 H new ATOM 1175 N ARG A 93 -6.098 -25.742 -8.525 1.00 0.00 N ATOM 1176 CA ARG A 93 -7.057 -25.807 -9.615 1.00 0.00 C ATOM 1177 C ARG A 93 -8.348 -26.479 -9.146 1.00 0.00 C ATOM 1178 O ARG A 93 -8.331 -27.287 -8.218 1.00 0.00 O ATOM 1179 CB ARG A 93 -6.488 -26.584 -10.804 1.00 0.00 C ATOM 1180 CG ARG A 93 -6.452 -28.085 -10.511 1.00 0.00 C ATOM 1181 CD ARG A 93 -5.428 -28.407 -9.421 1.00 0.00 C ATOM 1182 NE ARG A 93 -4.711 -29.658 -9.754 1.00 0.00 N ATOM 1183 CZ ARG A 93 -3.738 -29.748 -10.685 1.00 0.00 C ATOM 1184 NH1 ARG A 93 -3.357 -28.658 -11.385 1.00 0.00 N ATOM 1185 NH2 ARG A 93 -3.164 -30.917 -10.901 1.00 0.00 N ATOM 0 H ARG A 93 -5.880 -26.641 -8.095 1.00 0.00 H new ATOM 0 HA ARG A 93 -7.269 -24.786 -9.931 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.096 -26.397 -11.689 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.482 -26.229 -11.027 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.440 -28.422 -10.197 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.203 -28.631 -11.421 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.718 -27.586 -9.324 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -5.929 -28.511 -8.459 1.00 0.00 H new ATOM 0 HE ARG A 93 -4.968 -30.506 -9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.805 -27.758 -11.212 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.621 -28.734 -12.087 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.457 -31.736 -10.368 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.427 -31.002 -11.601 1.00 0.00 H new ATOM 1198 N GLU A 94 -9.438 -26.122 -9.809 1.00 0.00 N ATOM 1199 CA GLU A 94 -10.736 -26.681 -9.472 1.00 0.00 C ATOM 1200 C GLU A 94 -11.710 -26.503 -10.638 1.00 0.00 C ATOM 1201 O GLU A 94 -12.550 -25.605 -10.619 1.00 0.00 O ATOM 1202 CB GLU A 94 -11.291 -26.049 -8.193 1.00 0.00 C ATOM 1203 CG GLU A 94 -11.313 -27.060 -7.046 1.00 0.00 C ATOM 1204 CD GLU A 94 -12.648 -27.016 -6.301 1.00 0.00 C ATOM 1205 OE1 GLU A 94 -12.783 -26.278 -5.313 1.00 0.00 O ATOM 1206 OE2 GLU A 94 -13.567 -27.782 -6.783 1.00 0.00 O ATOM 0 H GLU A 94 -9.449 -25.452 -10.578 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.612 -27.748 -9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.681 -25.190 -7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -12.300 -25.678 -8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.144 -28.063 -7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.499 -26.847 -6.353 1.00 0.00 H new ATOM 1214 N GLN A 95 -11.566 -27.374 -11.626 1.00 0.00 N ATOM 1215 CA GLN A 95 -12.422 -27.324 -12.799 1.00 0.00 C ATOM 1216 C GLN A 95 -12.759 -28.740 -13.271 1.00 0.00 C ATOM 1217 O GLN A 95 -11.885 -29.464 -13.746 1.00 0.00 O ATOM 1218 CB GLN A 95 -11.770 -26.513 -13.920 1.00 0.00 C ATOM 1219 CG GLN A 95 -12.548 -26.663 -15.229 1.00 0.00 C ATOM 1220 CD GLN A 95 -12.104 -27.914 -15.991 1.00 0.00 C ATOM 1221 OE1 GLN A 95 -11.020 -28.438 -15.796 1.00 0.00 O ATOM 1222 NE2 GLN A 95 -13.000 -28.360 -16.866 1.00 0.00 N ATOM 0 H GLN A 95 -10.869 -28.119 -11.638 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.350 -26.822 -12.526 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.728 -25.461 -13.636 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.742 -26.845 -14.064 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.616 -26.722 -15.017 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.395 -25.781 -15.850 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.889 -27.873 -16.979 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.799 -29.190 -17.424 1.00 0.00 H new ATOM 1231 N ILE A 96 -14.027 -29.093 -13.123 1.00 0.00 N ATOM 1232 CA ILE A 96 -14.490 -30.409 -13.528 1.00 0.00 C ATOM 1233 C ILE A 96 -15.012 -30.342 -14.965 1.00 0.00 C ATOM 1234 O ILE A 96 -16.208 -30.157 -15.186 1.00 0.00 O ATOM 1235 CB ILE A 96 -15.513 -30.949 -12.527 1.00 0.00 C ATOM 1236 CG1 ILE A 96 -14.889 -31.112 -11.139 1.00 0.00 C ATOM 1237 CG2 ILE A 96 -16.138 -32.252 -13.030 1.00 0.00 C ATOM 1238 CD1 ILE A 96 -15.189 -29.899 -10.257 1.00 0.00 C ATOM 0 H ILE A 96 -14.749 -28.490 -12.728 1.00 0.00 H new ATOM 0 HA ILE A 96 -13.665 -31.121 -13.521 1.00 0.00 H new ATOM 0 HB ILE A 96 -16.318 -30.220 -12.435 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -15.276 -32.015 -10.666 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -13.811 -31.239 -11.234 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -16.861 -32.614 -12.300 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -16.641 -32.071 -13.980 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -15.357 -33.000 -13.169 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -14.734 -30.041 -9.277 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -14.779 -29.002 -10.721 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -16.268 -29.789 -10.144 1.00 0.00 H new TER 1250 ILE A 96