USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 432 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 59 SER OG : rot 180:sc= 0.308 USER MOD Set 1.2: A 61 THR OG1 : rot 121:sc= 0.321 USER MOD Set 2.1: A 36 CYS SG : rot -26:sc= 0.82 USER MOD Set 2.2: A 82 TYR OH : rot -15:sc= 1.44 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.21) USER MOD Single : A 31 MET CE :methyl -162:sc= -1.33 (180deg=-1.57) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.903 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= -3.18! (180deg=-3.55!) USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= -0.038 (180deg=-0.29) USER MOD Single : A 47 THR OG1 : rot 92:sc= 0.98 USER MOD Single : A 54 HIS : no HE2:sc= -0.146 K(o=-0.15,f=-0.81) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.609 X(o=-0.61,f=-0.21) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N GLY A 23 4.434 7.892 7.391 1.00 0.00 N ATOM 12 CA GLY A 23 4.410 6.434 7.395 1.00 0.00 C ATOM 13 C GLY A 23 5.379 5.862 6.377 1.00 0.00 C ATOM 14 O GLY A 23 6.341 6.534 5.984 1.00 0.00 O ATOM 0 HA2 GLY A 23 4.665 6.067 8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.401 6.085 7.176 1.00 0.00 H new ATOM 18 N LEU A 24 5.119 4.622 5.952 1.00 0.00 N ATOM 19 CA LEU A 24 5.940 3.904 4.970 1.00 0.00 C ATOM 20 C LEU A 24 5.385 4.146 3.561 1.00 0.00 C ATOM 21 O LEU A 24 4.265 3.724 3.257 1.00 0.00 O ATOM 22 CB LEU A 24 5.905 2.395 5.278 1.00 0.00 C ATOM 23 CG LEU A 24 6.262 1.974 6.728 1.00 0.00 C ATOM 24 CD1 LEU A 24 5.892 0.498 6.967 1.00 0.00 C ATOM 25 CD2 LEU A 24 7.750 2.249 7.047 1.00 0.00 C ATOM 0 H LEU A 24 4.321 4.080 6.285 1.00 0.00 H new ATOM 0 HA LEU A 24 6.967 4.266 5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.905 2.024 5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.593 1.892 4.598 1.00 0.00 H new ATOM 0 HG LEU A 24 5.673 2.583 7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.149 0.219 7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.822 0.361 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.443 -0.133 6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.965 1.942 8.071 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.380 1.685 6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.955 3.314 6.937 1.00 0.00 H new ATOM 37 N SER A 25 6.165 4.815 2.712 1.00 0.00 N ATOM 38 CA SER A 25 5.760 5.131 1.342 1.00 0.00 C ATOM 39 C SER A 25 6.038 3.934 0.415 1.00 0.00 C ATOM 40 O SER A 25 7.174 3.454 0.354 1.00 0.00 O ATOM 41 CB SER A 25 6.515 6.385 0.857 1.00 0.00 C ATOM 42 OG SER A 25 6.149 6.731 -0.463 1.00 0.00 O ATOM 0 H SER A 25 7.096 5.153 2.955 1.00 0.00 H new ATOM 0 HA SER A 25 4.689 5.335 1.320 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.303 7.220 1.525 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.589 6.205 0.903 1.00 0.00 H new ATOM 0 HG SER A 25 6.643 7.530 -0.741 1.00 0.00 H new ATOM 48 N PHE A 26 4.989 3.439 -0.271 1.00 0.00 N ATOM 49 CA PHE A 26 5.100 2.366 -1.285 1.00 0.00 C ATOM 50 C PHE A 26 4.474 2.853 -2.600 1.00 0.00 C ATOM 51 O PHE A 26 3.250 2.863 -2.745 1.00 0.00 O ATOM 52 CB PHE A 26 4.414 1.059 -0.789 1.00 0.00 C ATOM 53 CG PHE A 26 5.146 0.402 0.382 1.00 0.00 C ATOM 54 CD1 PHE A 26 6.225 -0.454 0.160 1.00 0.00 C ATOM 55 CD2 PHE A 26 4.770 0.654 1.698 1.00 0.00 C ATOM 56 CE1 PHE A 26 6.899 -1.038 1.211 1.00 0.00 C ATOM 57 CE2 PHE A 26 5.446 0.068 2.746 1.00 0.00 C ATOM 58 CZ PHE A 26 6.506 -0.776 2.505 1.00 0.00 C ATOM 0 H PHE A 26 4.034 3.773 -0.138 1.00 0.00 H new ATOM 0 HA PHE A 26 6.152 2.135 -1.453 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.391 1.285 -0.489 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.355 0.351 -1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.538 -0.663 -0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.940 1.315 1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.732 -1.698 1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.142 0.272 3.762 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.030 -1.233 3.331 1.00 0.00 H new ATOM 68 N HIS A 27 5.330 3.264 -3.555 1.00 0.00 N ATOM 69 CA HIS A 27 4.879 3.874 -4.818 1.00 0.00 C ATOM 70 C HIS A 27 4.751 2.797 -5.921 1.00 0.00 C ATOM 71 O HIS A 27 5.746 2.325 -6.481 1.00 0.00 O ATOM 72 CB HIS A 27 5.803 5.066 -5.240 1.00 0.00 C ATOM 73 CG HIS A 27 7.207 4.703 -5.661 1.00 0.00 C ATOM 74 ND1 HIS A 27 7.629 4.741 -6.974 1.00 0.00 N ATOM 75 CD2 HIS A 27 8.273 4.272 -4.947 1.00 0.00 C ATOM 76 CE1 HIS A 27 8.883 4.348 -7.045 1.00 0.00 C ATOM 77 NE2 HIS A 27 9.298 4.060 -5.828 1.00 0.00 N ATOM 0 H HIS A 27 6.344 3.183 -3.473 1.00 0.00 H new ATOM 0 HA HIS A 27 3.887 4.300 -4.665 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.324 5.596 -6.064 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.865 5.764 -4.405 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.308 4.123 -3.878 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.472 4.274 -7.947 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.232 3.732 -5.583 1.00 0.00 H new ATOM 86 N VAL A 28 3.511 2.352 -6.163 1.00 0.00 N ATOM 87 CA VAL A 28 3.173 1.445 -7.272 1.00 0.00 C ATOM 88 C VAL A 28 3.009 2.289 -8.543 1.00 0.00 C ATOM 89 O VAL A 28 2.035 3.009 -8.663 1.00 0.00 O ATOM 90 CB VAL A 28 1.837 0.652 -6.962 1.00 0.00 C ATOM 91 CG1 VAL A 28 1.416 -0.281 -8.128 1.00 0.00 C ATOM 92 CG2 VAL A 28 1.962 -0.136 -5.641 1.00 0.00 C ATOM 0 H VAL A 28 2.707 2.612 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 28 3.968 0.711 -7.405 1.00 0.00 H new ATOM 0 HB VAL A 28 1.045 1.393 -6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.495 -0.801 -7.864 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.253 0.312 -9.028 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.204 -1.011 -8.313 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.033 -0.673 -5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.783 -0.848 -5.719 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.158 0.556 -4.822 1.00 0.00 H new ATOM 102 N GLU A 29 3.975 2.238 -9.467 1.00 0.00 N ATOM 103 CA GLU A 29 3.943 3.080 -10.690 1.00 0.00 C ATOM 104 C GLU A 29 3.004 2.500 -11.772 1.00 0.00 C ATOM 105 O GLU A 29 2.737 3.158 -12.782 1.00 0.00 O ATOM 106 CB GLU A 29 5.376 3.296 -11.224 1.00 0.00 C ATOM 107 CG GLU A 29 6.316 3.952 -10.187 1.00 0.00 C ATOM 108 CD GLU A 29 7.665 4.389 -10.770 1.00 0.00 C ATOM 109 OE1 GLU A 29 8.591 3.562 -10.845 1.00 0.00 O ATOM 110 OE2 GLU A 29 7.805 5.569 -11.160 1.00 0.00 O ATOM 0 H GLU A 29 4.790 1.628 -9.401 1.00 0.00 H new ATOM 0 HA GLU A 29 3.529 4.052 -10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.793 2.336 -11.528 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.335 3.922 -12.116 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.818 4.820 -9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.492 3.249 -9.373 1.00 0.00 H new ATOM 117 N ASP A 30 2.493 1.274 -11.535 1.00 0.00 N ATOM 118 CA ASP A 30 1.433 0.646 -12.372 1.00 0.00 C ATOM 119 C ASP A 30 0.035 0.889 -11.770 1.00 0.00 C ATOM 120 O ASP A 30 -0.949 0.273 -12.200 1.00 0.00 O ATOM 121 CB ASP A 30 1.690 -0.874 -12.521 1.00 0.00 C ATOM 122 CG ASP A 30 2.899 -1.197 -13.402 1.00 0.00 C ATOM 123 OD1 ASP A 30 4.029 -1.283 -12.876 1.00 0.00 O ATOM 124 OD2 ASP A 30 2.730 -1.354 -14.626 1.00 0.00 O ATOM 0 H ASP A 30 2.799 0.686 -10.760 1.00 0.00 H new ATOM 0 HA ASP A 30 1.467 1.109 -13.358 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.842 -1.309 -11.533 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.803 -1.346 -12.944 1.00 0.00 H new ATOM 129 N MET A 31 -0.045 1.800 -10.789 1.00 0.00 N ATOM 130 CA MET A 31 -1.287 2.103 -10.060 1.00 0.00 C ATOM 131 C MET A 31 -2.300 2.857 -10.945 1.00 0.00 C ATOM 132 O MET A 31 -1.927 3.691 -11.768 1.00 0.00 O ATOM 133 CB MET A 31 -0.947 2.923 -8.802 1.00 0.00 C ATOM 134 CG MET A 31 -2.124 3.358 -7.941 1.00 0.00 C ATOM 135 SD MET A 31 -1.569 4.252 -6.483 1.00 0.00 S ATOM 136 CE MET A 31 -3.129 4.656 -5.738 1.00 0.00 C ATOM 0 H MET A 31 0.755 2.351 -10.477 1.00 0.00 H new ATOM 0 HA MET A 31 -1.757 1.163 -9.769 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.270 2.335 -8.183 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.402 3.815 -9.112 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.792 3.990 -8.526 1.00 0.00 H new ATOM 0 HG3 MET A 31 -2.699 2.483 -7.637 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.991 5.464 -5.019 1.00 0.00 H new ATOM 0 HE2 MET A 31 -3.830 4.973 -6.510 1.00 0.00 H new ATOM 0 HE3 MET A 31 -3.526 3.779 -5.226 1.00 0.00 H new ATOM 146 N THR A 32 -3.578 2.538 -10.749 1.00 0.00 N ATOM 147 CA THR A 32 -4.721 3.169 -11.424 1.00 0.00 C ATOM 148 C THR A 32 -5.707 3.674 -10.353 1.00 0.00 C ATOM 149 O THR A 32 -5.557 3.324 -9.170 1.00 0.00 O ATOM 150 CB THR A 32 -5.404 2.171 -12.422 1.00 0.00 C ATOM 151 OG1 THR A 32 -5.601 0.901 -11.785 1.00 0.00 O ATOM 152 CG2 THR A 32 -4.578 1.966 -13.711 1.00 0.00 C ATOM 0 H THR A 32 -3.861 1.809 -10.094 1.00 0.00 H new ATOM 0 HA THR A 32 -4.379 4.016 -12.018 1.00 0.00 H new ATOM 0 HB THR A 32 -6.361 2.609 -12.705 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.029 0.283 -12.413 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.095 1.266 -14.367 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.458 2.921 -14.222 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.597 1.565 -13.455 1.00 0.00 H new ATOM 160 N CYS A 33 -6.667 4.536 -10.768 1.00 0.00 N ATOM 161 CA CYS A 33 -7.619 5.247 -9.863 1.00 0.00 C ATOM 162 C CYS A 33 -8.408 4.309 -8.899 1.00 0.00 C ATOM 163 O CYS A 33 -8.286 3.082 -8.976 1.00 0.00 O ATOM 164 CB CYS A 33 -8.603 6.072 -10.718 1.00 0.00 C ATOM 165 SG CYS A 33 -9.669 5.076 -11.782 1.00 0.00 S ATOM 0 H CYS A 33 -6.808 4.764 -11.752 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.018 5.891 -9.220 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.227 6.673 -10.056 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -8.035 6.766 -11.338 1.00 0.00 H new ATOM 0 HG CYS A 33 -10.460 5.857 -12.457 1.00 0.00 H new ATOM 171 N GLY A 34 -9.275 4.931 -8.056 1.00 0.00 N ATOM 172 CA GLY A 34 -9.926 4.306 -6.880 1.00 0.00 C ATOM 173 C GLY A 34 -10.499 2.897 -7.052 1.00 0.00 C ATOM 174 O GLY A 34 -10.588 2.154 -6.068 1.00 0.00 O ATOM 0 H GLY A 34 -9.545 5.906 -8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.198 4.276 -6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.735 4.961 -6.557 1.00 0.00 H new ATOM 178 N HIS A 35 -10.877 2.540 -8.294 1.00 0.00 N ATOM 179 CA HIS A 35 -11.371 1.197 -8.654 1.00 0.00 C ATOM 180 C HIS A 35 -10.347 0.105 -8.264 1.00 0.00 C ATOM 181 O HIS A 35 -10.675 -0.838 -7.537 1.00 0.00 O ATOM 182 CB HIS A 35 -11.666 1.146 -10.176 1.00 0.00 C ATOM 183 CG HIS A 35 -12.258 -0.152 -10.670 1.00 0.00 C ATOM 184 ND1 HIS A 35 -13.605 -0.429 -10.617 1.00 0.00 N ATOM 185 CD2 HIS A 35 -11.680 -1.248 -11.224 1.00 0.00 C ATOM 186 CE1 HIS A 35 -13.827 -1.631 -11.108 1.00 0.00 C ATOM 187 NE2 HIS A 35 -12.677 -2.149 -11.483 1.00 0.00 N ATOM 0 H HIS A 35 -10.848 3.183 -9.085 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.290 1.002 -8.101 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -12.350 1.957 -10.425 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.738 1.333 -10.717 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.627 -1.384 -11.424 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.791 -2.111 -11.189 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -12.549 -3.072 -11.899 1.00 0.00 H new ATOM 196 N CYS A 36 -9.105 0.260 -8.752 1.00 0.00 N ATOM 197 CA CYS A 36 -8.013 -0.694 -8.483 1.00 0.00 C ATOM 198 C CYS A 36 -7.125 -0.221 -7.316 1.00 0.00 C ATOM 199 O CYS A 36 -6.429 -1.036 -6.699 1.00 0.00 O ATOM 200 CB CYS A 36 -7.178 -0.903 -9.752 1.00 0.00 C ATOM 201 SG CYS A 36 -5.882 -2.147 -9.579 1.00 0.00 S ATOM 0 H CYS A 36 -8.829 1.046 -9.341 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.456 -1.646 -8.189 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.841 -1.194 -10.567 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -6.722 0.046 -10.035 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.534 -2.240 -8.330 1.00 0.00 H new ATOM 207 N ALA A 37 -7.159 1.094 -7.014 1.00 0.00 N ATOM 208 CA ALA A 37 -6.434 1.677 -5.864 1.00 0.00 C ATOM 209 C ALA A 37 -6.991 1.138 -4.538 1.00 0.00 C ATOM 210 O ALA A 37 -6.240 0.915 -3.586 1.00 0.00 O ATOM 211 CB ALA A 37 -6.508 3.209 -5.890 1.00 0.00 C ATOM 0 H ALA A 37 -7.686 1.778 -7.556 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.388 1.382 -5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.968 3.614 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.059 3.579 -6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.550 3.524 -5.843 1.00 0.00 H new ATOM 217 N GLY A 38 -8.321 0.929 -4.512 1.00 0.00 N ATOM 218 CA GLY A 38 -9.011 0.342 -3.364 1.00 0.00 C ATOM 219 C GLY A 38 -8.640 -1.120 -3.123 1.00 0.00 C ATOM 220 O GLY A 38 -8.748 -1.607 -1.999 1.00 0.00 O ATOM 0 H GLY A 38 -8.940 1.164 -5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.776 0.922 -2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.087 0.416 -3.518 1.00 0.00 H new ATOM 224 N VAL A 39 -8.197 -1.812 -4.192 1.00 0.00 N ATOM 225 CA VAL A 39 -7.718 -3.209 -4.116 1.00 0.00 C ATOM 226 C VAL A 39 -6.319 -3.259 -3.467 1.00 0.00 C ATOM 227 O VAL A 39 -6.027 -4.161 -2.674 1.00 0.00 O ATOM 228 CB VAL A 39 -7.680 -3.881 -5.543 1.00 0.00 C ATOM 229 CG1 VAL A 39 -7.278 -5.374 -5.467 1.00 0.00 C ATOM 230 CG2 VAL A 39 -9.031 -3.705 -6.273 1.00 0.00 C ATOM 0 H VAL A 39 -8.161 -1.419 -5.133 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.419 -3.771 -3.498 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.911 -3.370 -6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.264 -5.799 -6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.287 -5.462 -5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.000 -5.914 -4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.979 -4.177 -7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.824 -4.171 -5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.244 -2.643 -6.392 1.00 0.00 H new ATOM 240 N ILE A 40 -5.466 -2.261 -3.813 1.00 0.00 N ATOM 241 CA ILE A 40 -4.110 -2.116 -3.230 1.00 0.00 C ATOM 242 C ILE A 40 -4.226 -1.836 -1.718 1.00 0.00 C ATOM 243 O ILE A 40 -3.542 -2.459 -0.889 1.00 0.00 O ATOM 244 CB ILE A 40 -3.290 -0.942 -3.900 1.00 0.00 C ATOM 245 CG1 ILE A 40 -3.341 -1.018 -5.461 1.00 0.00 C ATOM 246 CG2 ILE A 40 -1.827 -0.953 -3.398 1.00 0.00 C ATOM 247 CD1 ILE A 40 -2.553 0.067 -6.188 1.00 0.00 C ATOM 0 H ILE A 40 -5.697 -1.541 -4.498 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.578 -3.049 -3.415 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.755 -0.001 -3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.963 -1.991 -5.774 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.382 -0.963 -5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.275 -0.139 -3.868 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.813 -0.824 -2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.361 -1.904 -3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.651 -0.072 -7.265 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.943 1.047 -5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.502 0.003 -5.908 1.00 0.00 H new ATOM 259 N LYS A 41 -5.121 -0.878 -1.398 1.00 0.00 N ATOM 260 CA LYS A 41 -5.463 -0.498 -0.020 1.00 0.00 C ATOM 261 C LYS A 41 -6.015 -1.696 0.754 1.00 0.00 C ATOM 262 O LYS A 41 -5.576 -1.974 1.862 1.00 0.00 O ATOM 263 CB LYS A 41 -6.524 0.635 -0.015 1.00 0.00 C ATOM 264 CG LYS A 41 -6.037 1.999 -0.532 1.00 0.00 C ATOM 265 CD LYS A 41 -7.140 3.101 -0.503 1.00 0.00 C ATOM 266 CE LYS A 41 -7.468 3.638 0.909 1.00 0.00 C ATOM 267 NZ LYS A 41 -8.159 2.647 1.780 1.00 0.00 N ATOM 0 H LYS A 41 -5.630 -0.343 -2.101 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.550 -0.147 0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.372 0.318 -0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.890 0.762 1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.190 2.327 0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.675 1.884 -1.554 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.821 3.934 -1.130 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.051 2.698 -0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.543 3.951 1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.095 4.525 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.629 3.142 2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.868 2.130 1.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.463 1.976 2.162 1.00 0.00 H new ATOM 281 N GLY A 42 -6.965 -2.400 0.112 1.00 0.00 N ATOM 282 CA GLY A 42 -7.684 -3.518 0.721 1.00 0.00 C ATOM 283 C GLY A 42 -6.782 -4.695 1.057 1.00 0.00 C ATOM 284 O GLY A 42 -7.000 -5.388 2.055 1.00 0.00 O ATOM 0 H GLY A 42 -7.252 -2.203 -0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.176 -3.174 1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.468 -3.851 0.041 1.00 0.00 H new ATOM 288 N ALA A 43 -5.742 -4.898 0.224 1.00 0.00 N ATOM 289 CA ALA A 43 -4.752 -5.965 0.421 1.00 0.00 C ATOM 290 C ALA A 43 -4.028 -5.787 1.766 1.00 0.00 C ATOM 291 O ALA A 43 -4.060 -6.673 2.625 1.00 0.00 O ATOM 292 CB ALA A 43 -3.745 -5.967 -0.746 1.00 0.00 C ATOM 0 H ALA A 43 -5.569 -4.325 -0.602 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.266 -6.926 0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.013 -6.761 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.275 -6.137 -1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.234 -5.005 -0.787 1.00 0.00 H new ATOM 298 N ILE A 44 -3.454 -4.590 1.951 1.00 0.00 N ATOM 299 CA ILE A 44 -2.641 -4.248 3.133 1.00 0.00 C ATOM 300 C ILE A 44 -3.512 -4.071 4.397 1.00 0.00 C ATOM 301 O ILE A 44 -3.186 -4.602 5.463 1.00 0.00 O ATOM 302 CB ILE A 44 -1.825 -2.932 2.869 1.00 0.00 C ATOM 303 CG1 ILE A 44 -1.001 -3.036 1.539 1.00 0.00 C ATOM 304 CG2 ILE A 44 -0.911 -2.596 4.074 1.00 0.00 C ATOM 305 CD1 ILE A 44 -0.329 -1.741 1.102 1.00 0.00 C ATOM 0 H ILE A 44 -3.540 -3.825 1.282 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.956 -5.077 3.307 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.535 -2.113 2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.236 -3.803 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.665 -3.372 0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.357 -1.681 3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.522 -2.456 4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.211 -3.415 4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.217 -1.910 0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.087 -0.974 0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.364 -1.412 1.876 1.00 0.00 H new ATOM 317 N GLU A 45 -4.624 -3.334 4.239 1.00 0.00 N ATOM 318 CA GLU A 45 -5.488 -2.892 5.356 1.00 0.00 C ATOM 319 C GLU A 45 -6.147 -4.086 6.083 1.00 0.00 C ATOM 320 O GLU A 45 -6.236 -4.105 7.320 1.00 0.00 O ATOM 321 CB GLU A 45 -6.577 -1.908 4.822 1.00 0.00 C ATOM 322 CG GLU A 45 -7.417 -1.201 5.915 1.00 0.00 C ATOM 323 CD GLU A 45 -8.541 -0.301 5.352 1.00 0.00 C ATOM 324 OE1 GLU A 45 -8.238 0.708 4.688 1.00 0.00 O ATOM 325 OE2 GLU A 45 -9.735 -0.602 5.560 1.00 0.00 O ATOM 0 H GLU A 45 -4.955 -3.023 3.326 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.860 -2.379 6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.090 -1.148 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.252 -2.458 4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.860 -1.956 6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.755 -0.596 6.534 1.00 0.00 H new ATOM 332 N LYS A 46 -6.603 -5.079 5.296 1.00 0.00 N ATOM 333 CA LYS A 46 -7.286 -6.280 5.828 1.00 0.00 C ATOM 334 C LYS A 46 -6.276 -7.265 6.457 1.00 0.00 C ATOM 335 O LYS A 46 -6.599 -7.927 7.452 1.00 0.00 O ATOM 336 CB LYS A 46 -8.134 -6.987 4.720 1.00 0.00 C ATOM 337 CG LYS A 46 -9.544 -6.379 4.421 1.00 0.00 C ATOM 338 CD LYS A 46 -9.539 -4.891 3.935 1.00 0.00 C ATOM 339 CE LYS A 46 -9.817 -3.873 5.051 1.00 0.00 C ATOM 340 NZ LYS A 46 -11.164 -4.025 5.638 1.00 0.00 N ATOM 0 H LYS A 46 -6.511 -5.075 4.280 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.967 -5.949 6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.558 -6.982 3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.267 -8.030 5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.032 -6.991 3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.150 -6.447 5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.571 -4.669 3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.288 -4.772 3.152 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.068 -3.986 5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.711 -2.864 4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.426 -3.151 6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.853 -4.212 4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.162 -4.819 6.310 1.00 0.00 H new ATOM 354 N THR A 47 -5.061 -7.352 5.876 1.00 0.00 N ATOM 355 CA THR A 47 -4.015 -8.276 6.361 1.00 0.00 C ATOM 356 C THR A 47 -3.414 -7.772 7.693 1.00 0.00 C ATOM 357 O THR A 47 -3.260 -8.542 8.647 1.00 0.00 O ATOM 358 CB THR A 47 -2.892 -8.488 5.288 1.00 0.00 C ATOM 359 OG1 THR A 47 -3.467 -9.016 4.077 1.00 0.00 O ATOM 360 CG2 THR A 47 -1.787 -9.452 5.769 1.00 0.00 C ATOM 0 H THR A 47 -4.780 -6.793 5.070 1.00 0.00 H new ATOM 0 HA THR A 47 -4.486 -9.243 6.540 1.00 0.00 H new ATOM 0 HB THR A 47 -2.437 -7.513 5.111 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.703 -8.277 3.478 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.035 -9.563 4.987 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.319 -9.050 6.668 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.225 -10.425 5.992 1.00 0.00 H new ATOM 368 N VAL A 48 -3.098 -6.469 7.747 1.00 0.00 N ATOM 369 CA VAL A 48 -2.580 -5.801 8.959 1.00 0.00 C ATOM 370 C VAL A 48 -3.543 -4.661 9.357 1.00 0.00 C ATOM 371 O VAL A 48 -3.465 -3.560 8.790 1.00 0.00 O ATOM 372 CB VAL A 48 -1.118 -5.227 8.757 1.00 0.00 C ATOM 373 CG1 VAL A 48 -0.594 -4.510 10.032 1.00 0.00 C ATOM 374 CG2 VAL A 48 -0.139 -6.337 8.322 1.00 0.00 C ATOM 0 H VAL A 48 -3.194 -5.842 6.948 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.522 -6.546 9.752 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.176 -4.485 7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.412 -4.132 9.849 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.255 -3.679 10.280 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.571 -5.215 10.863 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.857 -5.913 8.191 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.105 -7.113 9.087 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.476 -6.770 7.380 1.00 0.00 H new ATOM 384 N PRO A 49 -4.521 -4.927 10.284 1.00 0.00 N ATOM 385 CA PRO A 49 -5.348 -3.863 10.897 1.00 0.00 C ATOM 386 C PRO A 49 -4.470 -2.909 11.742 1.00 0.00 C ATOM 387 O PRO A 49 -3.744 -3.358 12.643 1.00 0.00 O ATOM 388 CB PRO A 49 -6.382 -4.643 11.766 1.00 0.00 C ATOM 389 CG PRO A 49 -6.356 -6.043 11.216 1.00 0.00 C ATOM 390 CD PRO A 49 -4.926 -6.268 10.778 1.00 0.00 C ATOM 0 HA PRO A 49 -5.840 -3.223 10.165 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.107 -4.626 12.821 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.377 -4.204 11.688 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.656 -6.769 11.972 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.046 -6.151 10.379 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.298 -6.602 11.603 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.856 -7.025 9.997 1.00 0.00 H new ATOM 398 N GLY A 50 -4.527 -1.607 11.426 1.00 0.00 N ATOM 399 CA GLY A 50 -3.667 -0.594 12.051 1.00 0.00 C ATOM 400 C GLY A 50 -2.792 0.121 11.033 1.00 0.00 C ATOM 401 O GLY A 50 -2.286 1.216 11.308 1.00 0.00 O ATOM 0 H GLY A 50 -5.170 -1.228 10.731 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.287 0.136 12.572 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.035 -1.069 12.802 1.00 0.00 H new ATOM 405 N ALA A 51 -2.594 -0.506 9.854 1.00 0.00 N ATOM 406 CA ALA A 51 -1.872 0.117 8.734 1.00 0.00 C ATOM 407 C ALA A 51 -2.822 1.082 8.003 1.00 0.00 C ATOM 408 O ALA A 51 -3.733 0.646 7.279 1.00 0.00 O ATOM 409 CB ALA A 51 -1.329 -0.964 7.780 1.00 0.00 C ATOM 0 H ALA A 51 -2.928 -1.449 9.657 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.018 0.680 9.110 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.797 -0.488 6.956 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.647 -1.619 8.322 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.158 -1.551 7.386 1.00 0.00 H new ATOM 415 N ALA A 52 -2.611 2.391 8.210 1.00 0.00 N ATOM 416 CA ALA A 52 -3.449 3.439 7.625 1.00 0.00 C ATOM 417 C ALA A 52 -3.004 3.690 6.182 1.00 0.00 C ATOM 418 O ALA A 52 -2.046 4.424 5.936 1.00 0.00 O ATOM 419 CB ALA A 52 -3.364 4.716 8.478 1.00 0.00 C ATOM 0 H ALA A 52 -1.852 2.749 8.790 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.492 3.123 7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.990 5.491 8.036 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.711 4.502 9.489 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.331 5.061 8.514 1.00 0.00 H new ATOM 425 N VAL A 53 -3.725 3.080 5.239 1.00 0.00 N ATOM 426 CA VAL A 53 -3.358 3.070 3.818 1.00 0.00 C ATOM 427 C VAL A 53 -3.882 4.346 3.126 1.00 0.00 C ATOM 428 O VAL A 53 -5.095 4.597 3.084 1.00 0.00 O ATOM 429 CB VAL A 53 -3.910 1.762 3.102 1.00 0.00 C ATOM 430 CG1 VAL A 53 -3.158 0.497 3.569 1.00 0.00 C ATOM 431 CG2 VAL A 53 -5.421 1.573 3.339 1.00 0.00 C ATOM 0 H VAL A 53 -4.588 2.574 5.440 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.271 3.057 3.737 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.738 1.902 2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.563 -0.376 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.098 0.596 3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.281 0.377 4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.758 0.668 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.613 1.484 4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.962 2.433 2.943 1.00 0.00 H new ATOM 441 N HIS A 54 -2.955 5.189 2.632 1.00 0.00 N ATOM 442 CA HIS A 54 -3.300 6.403 1.893 1.00 0.00 C ATOM 443 C HIS A 54 -2.855 6.227 0.444 1.00 0.00 C ATOM 444 O HIS A 54 -1.678 6.410 0.131 1.00 0.00 O ATOM 445 CB HIS A 54 -2.636 7.662 2.513 1.00 0.00 C ATOM 446 CG HIS A 54 -3.031 8.946 1.813 1.00 0.00 C ATOM 447 ND1 HIS A 54 -2.522 9.317 0.585 1.00 0.00 N ATOM 448 CD2 HIS A 54 -3.920 9.913 2.148 1.00 0.00 C ATOM 449 CE1 HIS A 54 -3.080 10.441 0.197 1.00 0.00 C ATOM 450 NE2 HIS A 54 -3.930 10.828 1.126 1.00 0.00 N ATOM 0 H HIS A 54 -1.951 5.042 2.737 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.378 6.555 1.944 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -2.911 7.729 3.566 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -1.552 7.551 2.473 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -1.819 8.797 0.059 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -4.510 9.955 3.051 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.876 10.960 -0.728 1.00 0.00 H new ATOM 459 N ALA A 55 -3.800 5.873 -0.422 1.00 0.00 N ATOM 460 CA ALA A 55 -3.557 5.749 -1.856 1.00 0.00 C ATOM 461 C ALA A 55 -3.691 7.129 -2.511 1.00 0.00 C ATOM 462 O ALA A 55 -4.685 7.831 -2.287 1.00 0.00 O ATOM 463 CB ALA A 55 -4.543 4.746 -2.467 1.00 0.00 C ATOM 0 H ALA A 55 -4.760 5.663 -0.148 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.548 5.377 -2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.356 4.658 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.411 3.773 -1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.563 5.093 -2.304 1.00 0.00 H new ATOM 469 N ASP A 56 -2.672 7.531 -3.275 1.00 0.00 N ATOM 470 CA ASP A 56 -2.688 8.770 -4.049 1.00 0.00 C ATOM 471 C ASP A 56 -2.738 8.372 -5.533 1.00 0.00 C ATOM 472 O ASP A 56 -1.748 7.844 -6.037 1.00 0.00 O ATOM 473 CB ASP A 56 -1.421 9.619 -3.746 1.00 0.00 C ATOM 474 CG ASP A 56 -1.558 11.094 -4.183 1.00 0.00 C ATOM 475 OD1 ASP A 56 -1.756 11.365 -5.388 1.00 0.00 O ATOM 476 OD2 ASP A 56 -1.473 11.994 -3.322 1.00 0.00 O ATOM 0 H ASP A 56 -1.807 7.000 -3.373 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.552 9.381 -3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.214 9.581 -2.677 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.564 9.175 -4.253 1.00 0.00 H new ATOM 481 N PRO A 57 -3.892 8.564 -6.240 1.00 0.00 N ATOM 482 CA PRO A 57 -4.033 8.174 -7.672 1.00 0.00 C ATOM 483 C PRO A 57 -3.088 8.970 -8.609 1.00 0.00 C ATOM 484 O PRO A 57 -2.597 8.435 -9.611 1.00 0.00 O ATOM 485 CB PRO A 57 -5.531 8.452 -7.977 1.00 0.00 C ATOM 486 CG PRO A 57 -5.931 9.492 -6.968 1.00 0.00 C ATOM 487 CD PRO A 57 -5.158 9.152 -5.713 1.00 0.00 C ATOM 0 HA PRO A 57 -3.750 7.136 -7.846 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.669 8.813 -8.996 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.132 7.548 -7.876 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.688 10.495 -7.320 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.005 9.470 -6.786 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.968 10.037 -5.105 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.700 8.444 -5.086 1.00 0.00 H new ATOM 495 N ALA A 58 -2.837 10.242 -8.252 1.00 0.00 N ATOM 496 CA ALA A 58 -2.046 11.177 -9.075 1.00 0.00 C ATOM 497 C ALA A 58 -0.535 10.911 -8.952 1.00 0.00 C ATOM 498 O ALA A 58 0.193 10.990 -9.943 1.00 0.00 O ATOM 499 CB ALA A 58 -2.378 12.624 -8.681 1.00 0.00 C ATOM 0 H ALA A 58 -3.177 10.653 -7.383 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.314 11.019 -10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.792 13.311 -9.291 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.440 12.811 -8.843 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.139 12.779 -7.629 1.00 0.00 H new ATOM 505 N SER A 59 -0.082 10.600 -7.727 1.00 0.00 N ATOM 506 CA SER A 59 1.343 10.335 -7.420 1.00 0.00 C ATOM 507 C SER A 59 1.654 8.832 -7.519 1.00 0.00 C ATOM 508 O SER A 59 2.827 8.444 -7.581 1.00 0.00 O ATOM 509 CB SER A 59 1.695 10.861 -6.008 1.00 0.00 C ATOM 510 OG SER A 59 3.078 10.699 -5.710 1.00 0.00 O ATOM 0 H SER A 59 -0.693 10.524 -6.914 1.00 0.00 H new ATOM 0 HA SER A 59 1.953 10.861 -8.155 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.430 11.916 -5.937 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.099 10.332 -5.265 1.00 0.00 H new ATOM 0 HG SER A 59 3.262 11.044 -4.811 1.00 0.00 H new ATOM 516 N ARG A 60 0.587 8.000 -7.542 1.00 0.00 N ATOM 517 CA ARG A 60 0.677 6.527 -7.618 1.00 0.00 C ATOM 518 C ARG A 60 1.381 5.961 -6.354 1.00 0.00 C ATOM 519 O ARG A 60 2.248 5.087 -6.450 1.00 0.00 O ATOM 520 CB ARG A 60 1.392 6.046 -8.934 1.00 0.00 C ATOM 521 CG ARG A 60 0.618 6.248 -10.264 1.00 0.00 C ATOM 522 CD ARG A 60 0.536 7.712 -10.728 1.00 0.00 C ATOM 523 NE ARG A 60 1.871 8.344 -10.856 1.00 0.00 N ATOM 524 CZ ARG A 60 2.206 9.291 -11.754 1.00 0.00 C ATOM 525 NH1 ARG A 60 1.333 9.719 -12.658 1.00 0.00 N ATOM 526 NH2 ARG A 60 3.419 9.817 -11.730 1.00 0.00 N ATOM 0 H ARG A 60 -0.374 8.340 -7.508 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.339 6.135 -7.652 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.346 6.568 -9.013 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.617 4.985 -8.830 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.098 5.657 -11.044 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.393 5.859 -10.146 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.023 7.757 -11.689 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.065 8.281 -10.019 1.00 0.00 H new ATOM 0 HE ARG A 60 2.597 8.036 -10.210 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.390 9.330 -12.681 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.605 10.437 -13.330 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.096 9.506 -11.034 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.677 10.534 -12.408 1.00 0.00 H new ATOM 540 N THR A 61 0.987 6.460 -5.160 1.00 0.00 N ATOM 541 CA THR A 61 1.697 6.169 -3.895 1.00 0.00 C ATOM 542 C THR A 61 0.728 5.764 -2.757 1.00 0.00 C ATOM 543 O THR A 61 -0.158 6.538 -2.379 1.00 0.00 O ATOM 544 CB THR A 61 2.511 7.424 -3.444 1.00 0.00 C ATOM 545 OG1 THR A 61 3.284 7.931 -4.541 1.00 0.00 O ATOM 546 CG2 THR A 61 3.459 7.111 -2.273 1.00 0.00 C ATOM 0 H THR A 61 0.177 7.069 -5.047 1.00 0.00 H new ATOM 0 HA THR A 61 2.363 5.328 -4.087 1.00 0.00 H new ATOM 0 HB THR A 61 1.788 8.169 -3.111 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.022 8.857 -4.725 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.003 8.013 -1.994 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.879 6.759 -1.420 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.167 6.339 -2.574 1.00 0.00 H new ATOM 554 N VAL A 62 0.918 4.550 -2.206 1.00 0.00 N ATOM 555 CA VAL A 62 0.175 4.060 -1.028 1.00 0.00 C ATOM 556 C VAL A 62 1.086 4.122 0.217 1.00 0.00 C ATOM 557 O VAL A 62 2.042 3.348 0.333 1.00 0.00 O ATOM 558 CB VAL A 62 -0.370 2.596 -1.252 1.00 0.00 C ATOM 559 CG1 VAL A 62 -1.217 2.106 -0.046 1.00 0.00 C ATOM 560 CG2 VAL A 62 -1.180 2.522 -2.570 1.00 0.00 C ATOM 0 H VAL A 62 1.595 3.878 -2.567 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.691 4.703 -0.873 1.00 0.00 H new ATOM 0 HB VAL A 62 0.487 1.927 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.574 1.094 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.603 2.109 0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.069 2.771 0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.550 1.507 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.022 3.212 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.538 2.795 -3.407 1.00 0.00 H new ATOM 570 N VAL A 63 0.792 5.075 1.126 1.00 0.00 N ATOM 571 CA VAL A 63 1.582 5.317 2.351 1.00 0.00 C ATOM 572 C VAL A 63 0.833 4.746 3.568 1.00 0.00 C ATOM 573 O VAL A 63 -0.303 5.149 3.828 1.00 0.00 O ATOM 574 CB VAL A 63 1.847 6.856 2.573 1.00 0.00 C ATOM 575 CG1 VAL A 63 2.761 7.108 3.798 1.00 0.00 C ATOM 576 CG2 VAL A 63 2.431 7.510 1.300 1.00 0.00 C ATOM 0 H VAL A 63 -0.006 5.703 1.030 1.00 0.00 H new ATOM 0 HA VAL A 63 2.545 4.820 2.235 1.00 0.00 H new ATOM 0 HB VAL A 63 0.885 7.325 2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.921 8.179 3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.286 6.709 4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.720 6.613 3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.604 8.571 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.374 7.028 1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.728 7.393 0.476 1.00 0.00 H new ATOM 586 N VAL A 64 1.470 3.816 4.301 1.00 0.00 N ATOM 587 CA VAL A 64 0.852 3.135 5.455 1.00 0.00 C ATOM 588 C VAL A 64 1.368 3.724 6.795 1.00 0.00 C ATOM 589 O VAL A 64 2.556 3.640 7.120 1.00 0.00 O ATOM 590 CB VAL A 64 1.061 1.572 5.370 1.00 0.00 C ATOM 591 CG1 VAL A 64 0.342 1.001 4.131 1.00 0.00 C ATOM 592 CG2 VAL A 64 2.548 1.174 5.337 1.00 0.00 C ATOM 0 H VAL A 64 2.426 3.515 4.112 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.222 3.316 5.422 1.00 0.00 H new ATOM 0 HB VAL A 64 0.629 1.148 6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.495 -0.077 4.086 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.725 1.213 4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.747 1.463 3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.633 0.089 5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.026 1.623 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.040 1.528 6.243 1.00 0.00 H new ATOM 602 N GLY A 65 0.449 4.361 7.548 1.00 0.00 N ATOM 603 CA GLY A 65 0.761 4.960 8.851 1.00 0.00 C ATOM 604 C GLY A 65 0.471 4.005 10.005 1.00 0.00 C ATOM 605 O GLY A 65 -0.262 3.027 9.835 1.00 0.00 O ATOM 0 H GLY A 65 -0.525 4.472 7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.812 5.248 8.875 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.177 5.872 8.980 1.00 0.00 H new ATOM 609 N GLY A 66 1.080 4.269 11.176 1.00 0.00 N ATOM 610 CA GLY A 66 0.848 3.468 12.392 1.00 0.00 C ATOM 611 C GLY A 66 1.693 2.197 12.460 1.00 0.00 C ATOM 612 O GLY A 66 1.753 1.545 13.510 1.00 0.00 O ATOM 0 H GLY A 66 1.740 5.036 11.305 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.060 4.082 13.267 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.206 3.196 12.442 1.00 0.00 H new ATOM 616 N VAL A 67 2.335 1.844 11.334 1.00 0.00 N ATOM 617 CA VAL A 67 3.217 0.671 11.210 1.00 0.00 C ATOM 618 C VAL A 67 4.580 1.123 10.651 1.00 0.00 C ATOM 619 O VAL A 67 4.646 2.034 9.811 1.00 0.00 O ATOM 620 CB VAL A 67 2.577 -0.453 10.292 1.00 0.00 C ATOM 621 CG1 VAL A 67 1.296 -1.049 10.933 1.00 0.00 C ATOM 622 CG2 VAL A 67 2.272 0.078 8.869 1.00 0.00 C ATOM 0 H VAL A 67 2.254 2.376 10.468 1.00 0.00 H new ATOM 0 HA VAL A 67 3.353 0.232 12.198 1.00 0.00 H new ATOM 0 HB VAL A 67 3.316 -1.249 10.204 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.884 -1.816 10.277 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.544 -1.492 11.898 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.559 -0.259 11.075 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.835 -0.720 8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.570 0.910 8.934 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.196 0.418 8.402 1.00 0.00 H new ATOM 632 N SER A 68 5.667 0.518 11.149 1.00 0.00 N ATOM 633 CA SER A 68 7.044 0.814 10.693 1.00 0.00 C ATOM 634 C SER A 68 7.647 -0.406 9.972 1.00 0.00 C ATOM 635 O SER A 68 8.797 -0.368 9.524 1.00 0.00 O ATOM 636 CB SER A 68 7.909 1.220 11.907 1.00 0.00 C ATOM 637 OG SER A 68 7.290 2.275 12.632 1.00 0.00 O ATOM 0 H SER A 68 5.623 -0.192 11.880 1.00 0.00 H new ATOM 0 HA SER A 68 7.020 1.641 9.983 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.055 0.360 12.560 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.896 1.535 11.568 1.00 0.00 H new ATOM 0 HG SER A 68 7.851 2.518 13.398 1.00 0.00 H new ATOM 643 N ASP A 69 6.829 -1.464 9.815 1.00 0.00 N ATOM 644 CA ASP A 69 7.252 -2.759 9.261 1.00 0.00 C ATOM 645 C ASP A 69 7.249 -2.712 7.721 1.00 0.00 C ATOM 646 O ASP A 69 6.300 -3.186 7.082 1.00 0.00 O ATOM 647 CB ASP A 69 6.304 -3.875 9.775 1.00 0.00 C ATOM 648 CG ASP A 69 6.246 -3.972 11.304 1.00 0.00 C ATOM 649 OD1 ASP A 69 5.586 -3.117 11.937 1.00 0.00 O ATOM 650 OD2 ASP A 69 6.839 -4.912 11.884 1.00 0.00 O ATOM 0 H ASP A 69 5.843 -1.440 10.074 1.00 0.00 H new ATOM 0 HA ASP A 69 8.268 -2.976 9.590 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.300 -3.693 9.392 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.630 -4.833 9.370 1.00 0.00 H new ATOM 655 N ALA A 70 8.307 -2.113 7.132 1.00 0.00 N ATOM 656 CA ALA A 70 8.400 -1.904 5.670 1.00 0.00 C ATOM 657 C ALA A 70 8.447 -3.235 4.908 1.00 0.00 C ATOM 658 O ALA A 70 7.832 -3.361 3.850 1.00 0.00 O ATOM 659 CB ALA A 70 9.610 -1.022 5.314 1.00 0.00 C ATOM 0 H ALA A 70 9.113 -1.764 7.650 1.00 0.00 H new ATOM 0 HA ALA A 70 7.496 -1.382 5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.655 -0.884 4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.508 -0.051 5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.525 -1.505 5.656 1.00 0.00 H new ATOM 665 N ALA A 71 9.153 -4.229 5.482 1.00 0.00 N ATOM 666 CA ALA A 71 9.283 -5.571 4.883 1.00 0.00 C ATOM 667 C ALA A 71 7.921 -6.283 4.843 1.00 0.00 C ATOM 668 O ALA A 71 7.537 -6.798 3.804 1.00 0.00 O ATOM 669 CB ALA A 71 10.326 -6.416 5.636 1.00 0.00 C ATOM 0 H ALA A 71 9.646 -4.125 6.369 1.00 0.00 H new ATOM 0 HA ALA A 71 9.633 -5.450 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.401 -7.400 5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.296 -5.920 5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.021 -6.527 6.677 1.00 0.00 H new ATOM 675 N HIS A 72 7.191 -6.248 5.984 1.00 0.00 N ATOM 676 CA HIS A 72 5.873 -6.923 6.140 1.00 0.00 C ATOM 677 C HIS A 72 4.866 -6.417 5.098 1.00 0.00 C ATOM 678 O HIS A 72 4.273 -7.209 4.350 1.00 0.00 O ATOM 679 CB HIS A 72 5.293 -6.707 7.567 1.00 0.00 C ATOM 680 CG HIS A 72 6.029 -7.424 8.674 1.00 0.00 C ATOM 681 ND1 HIS A 72 5.411 -8.305 9.533 1.00 0.00 N ATOM 682 CD2 HIS A 72 7.319 -7.361 9.079 1.00 0.00 C ATOM 683 CE1 HIS A 72 6.280 -8.743 10.416 1.00 0.00 C ATOM 684 NE2 HIS A 72 7.446 -8.182 10.165 1.00 0.00 N ATOM 0 H HIS A 72 7.496 -5.753 6.822 1.00 0.00 H new ATOM 0 HA HIS A 72 6.039 -7.989 5.985 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.293 -5.639 7.784 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.253 -7.033 7.573 1.00 0.00 H new ATOM 0 HD2 HIS A 72 8.103 -6.771 8.628 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.074 -9.443 11.212 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.304 -8.335 10.695 1.00 0.00 H new ATOM 693 N ILE A 73 4.717 -5.080 5.048 1.00 0.00 N ATOM 694 CA ILE A 73 3.778 -4.410 4.139 1.00 0.00 C ATOM 695 C ILE A 73 4.158 -4.703 2.677 1.00 0.00 C ATOM 696 O ILE A 73 3.280 -4.948 1.843 1.00 0.00 O ATOM 697 CB ILE A 73 3.743 -2.856 4.389 1.00 0.00 C ATOM 698 CG1 ILE A 73 3.392 -2.525 5.880 1.00 0.00 C ATOM 699 CG2 ILE A 73 2.768 -2.155 3.407 1.00 0.00 C ATOM 700 CD1 ILE A 73 2.027 -3.003 6.356 1.00 0.00 C ATOM 0 H ILE A 73 5.246 -4.437 5.638 1.00 0.00 H new ATOM 0 HA ILE A 73 2.781 -4.803 4.338 1.00 0.00 H new ATOM 0 HB ILE A 73 4.743 -2.466 4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.155 -2.966 6.521 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.447 -1.445 6.016 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.764 -1.083 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.091 -2.336 2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.763 -2.553 3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.887 -2.722 7.400 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.248 -2.542 5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.968 -4.087 6.261 1.00 0.00 H new ATOM 712 N ALA A 74 5.485 -4.722 2.409 1.00 0.00 N ATOM 713 CA ALA A 74 6.047 -4.985 1.073 1.00 0.00 C ATOM 714 C ALA A 74 5.627 -6.369 0.559 1.00 0.00 C ATOM 715 O ALA A 74 5.300 -6.515 -0.618 1.00 0.00 O ATOM 716 CB ALA A 74 7.581 -4.864 1.091 1.00 0.00 C ATOM 0 H ALA A 74 6.196 -4.554 3.121 1.00 0.00 H new ATOM 0 HA ALA A 74 5.648 -4.233 0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.973 -5.062 0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.863 -3.857 1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.995 -5.587 1.794 1.00 0.00 H new ATOM 722 N GLU A 75 5.629 -7.368 1.470 1.00 0.00 N ATOM 723 CA GLU A 75 5.246 -8.761 1.153 1.00 0.00 C ATOM 724 C GLU A 75 3.787 -8.820 0.679 1.00 0.00 C ATOM 725 O GLU A 75 3.479 -9.457 -0.327 1.00 0.00 O ATOM 726 CB GLU A 75 5.416 -9.699 2.387 1.00 0.00 C ATOM 727 CG GLU A 75 6.818 -9.722 3.030 1.00 0.00 C ATOM 728 CD GLU A 75 7.966 -9.960 2.033 1.00 0.00 C ATOM 729 OE1 GLU A 75 8.033 -11.053 1.432 1.00 0.00 O ATOM 730 OE2 GLU A 75 8.809 -9.056 1.842 1.00 0.00 O ATOM 0 H GLU A 75 5.896 -7.231 2.445 1.00 0.00 H new ATOM 0 HA GLU A 75 5.909 -9.105 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.694 -9.401 3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.160 -10.714 2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.986 -8.774 3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.844 -10.503 3.790 1.00 0.00 H new ATOM 737 N ILE A 76 2.915 -8.118 1.422 1.00 0.00 N ATOM 738 CA ILE A 76 1.455 -8.116 1.193 1.00 0.00 C ATOM 739 C ILE A 76 1.098 -7.514 -0.181 1.00 0.00 C ATOM 740 O ILE A 76 0.400 -8.135 -0.988 1.00 0.00 O ATOM 741 CB ILE A 76 0.715 -7.287 2.309 1.00 0.00 C ATOM 742 CG1 ILE A 76 1.147 -7.757 3.730 1.00 0.00 C ATOM 743 CG2 ILE A 76 -0.823 -7.375 2.144 1.00 0.00 C ATOM 744 CD1 ILE A 76 0.687 -6.847 4.857 1.00 0.00 C ATOM 0 H ILE A 76 3.203 -7.531 2.205 1.00 0.00 H new ATOM 0 HA ILE A 76 1.130 -9.156 1.224 1.00 0.00 H new ATOM 0 HB ILE A 76 1.005 -6.242 2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.753 -8.758 3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.234 -7.832 3.760 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.307 -6.793 2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.108 -6.978 1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.138 -8.416 2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.030 -7.247 5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.102 -5.850 4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.402 -6.790 4.858 1.00 0.00 H new ATOM 756 N ILE A 77 1.601 -6.294 -0.415 1.00 0.00 N ATOM 757 CA ILE A 77 1.235 -5.475 -1.583 1.00 0.00 C ATOM 758 C ILE A 77 1.756 -6.098 -2.904 1.00 0.00 C ATOM 759 O ILE A 77 1.042 -6.097 -3.920 1.00 0.00 O ATOM 760 CB ILE A 77 1.731 -3.987 -1.382 1.00 0.00 C ATOM 761 CG1 ILE A 77 1.271 -3.046 -2.540 1.00 0.00 C ATOM 762 CG2 ILE A 77 3.264 -3.915 -1.192 1.00 0.00 C ATOM 763 CD1 ILE A 77 1.674 -1.585 -2.359 1.00 0.00 C ATOM 0 H ILE A 77 2.277 -5.844 0.203 1.00 0.00 H new ATOM 0 HA ILE A 77 0.148 -5.455 -1.666 1.00 0.00 H new ATOM 0 HB ILE A 77 1.261 -3.629 -0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.688 -3.412 -3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.186 -3.103 -2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.566 -2.876 -1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.549 -4.493 -0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.759 -4.325 -2.072 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.316 -1.001 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.235 -1.198 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.760 -1.512 -2.301 1.00 0.00 H new ATOM 775 N THR A 78 2.973 -6.688 -2.863 1.00 0.00 N ATOM 776 CA THR A 78 3.577 -7.348 -4.043 1.00 0.00 C ATOM 777 C THR A 78 2.897 -8.714 -4.307 1.00 0.00 C ATOM 778 O THR A 78 2.826 -9.169 -5.454 1.00 0.00 O ATOM 779 CB THR A 78 5.135 -7.508 -3.903 1.00 0.00 C ATOM 780 OG1 THR A 78 5.717 -7.827 -5.179 1.00 0.00 O ATOM 781 CG2 THR A 78 5.539 -8.600 -2.898 1.00 0.00 C ATOM 0 H THR A 78 3.555 -6.720 -2.026 1.00 0.00 H new ATOM 0 HA THR A 78 3.404 -6.701 -4.903 1.00 0.00 H new ATOM 0 HB THR A 78 5.507 -6.553 -3.532 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.687 -7.923 -5.081 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.626 -8.662 -2.846 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.142 -8.353 -1.913 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.136 -9.560 -3.222 1.00 0.00 H new ATOM 789 N ALA A 79 2.393 -9.355 -3.222 1.00 0.00 N ATOM 790 CA ALA A 79 1.621 -10.619 -3.301 1.00 0.00 C ATOM 791 C ALA A 79 0.263 -10.386 -3.984 1.00 0.00 C ATOM 792 O ALA A 79 -0.278 -11.282 -4.640 1.00 0.00 O ATOM 793 CB ALA A 79 1.420 -11.221 -1.902 1.00 0.00 C ATOM 0 H ALA A 79 2.511 -9.010 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 79 2.192 -11.327 -3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.851 -12.147 -1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.391 -11.429 -1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.875 -10.514 -1.277 1.00 0.00 H new ATOM 799 N ALA A 80 -0.266 -9.160 -3.825 1.00 0.00 N ATOM 800 CA ALA A 80 -1.499 -8.711 -4.496 1.00 0.00 C ATOM 801 C ALA A 80 -1.238 -8.349 -5.980 1.00 0.00 C ATOM 802 O ALA A 80 -2.163 -7.975 -6.703 1.00 0.00 O ATOM 803 CB ALA A 80 -2.086 -7.514 -3.732 1.00 0.00 C ATOM 0 H ALA A 80 0.152 -8.449 -3.224 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.219 -9.529 -4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.998 -7.179 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.315 -7.812 -2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.361 -6.700 -3.719 1.00 0.00 H new ATOM 809 N GLY A 81 0.038 -8.448 -6.413 1.00 0.00 N ATOM 810 CA GLY A 81 0.432 -8.206 -7.803 1.00 0.00 C ATOM 811 C GLY A 81 0.955 -6.796 -8.036 1.00 0.00 C ATOM 812 O GLY A 81 1.519 -6.515 -9.100 1.00 0.00 O ATOM 0 H GLY A 81 0.817 -8.698 -5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.201 -8.924 -8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.425 -8.382 -8.454 1.00 0.00 H new ATOM 816 N TYR A 82 0.772 -5.908 -7.042 1.00 0.00 N ATOM 817 CA TYR A 82 1.145 -4.489 -7.154 1.00 0.00 C ATOM 818 C TYR A 82 2.580 -4.304 -6.652 1.00 0.00 C ATOM 819 O TYR A 82 2.834 -4.348 -5.446 1.00 0.00 O ATOM 820 CB TYR A 82 0.144 -3.620 -6.348 1.00 0.00 C ATOM 821 CG TYR A 82 -1.313 -3.873 -6.762 1.00 0.00 C ATOM 822 CD1 TYR A 82 -1.793 -3.429 -7.997 1.00 0.00 C ATOM 823 CD2 TYR A 82 -2.200 -4.579 -5.937 1.00 0.00 C ATOM 824 CE1 TYR A 82 -3.089 -3.680 -8.391 1.00 0.00 C ATOM 825 CE2 TYR A 82 -3.501 -4.826 -6.330 1.00 0.00 C ATOM 826 CZ TYR A 82 -3.938 -4.376 -7.557 1.00 0.00 C ATOM 827 OH TYR A 82 -5.227 -4.630 -7.961 1.00 0.00 O ATOM 0 H TYR A 82 0.362 -6.155 -6.141 1.00 0.00 H new ATOM 0 HA TYR A 82 1.102 -4.169 -8.195 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.259 -3.830 -5.285 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.383 -2.566 -6.493 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.136 -2.879 -8.655 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -1.860 -4.936 -4.976 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.439 -3.332 -9.352 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.171 -5.368 -5.680 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.448 -4.060 -8.727 1.00 0.00 H new ATOM 837 N THR A 83 3.506 -4.124 -7.601 1.00 0.00 N ATOM 838 CA THR A 83 4.941 -3.997 -7.330 1.00 0.00 C ATOM 839 C THR A 83 5.256 -2.577 -6.791 1.00 0.00 C ATOM 840 O THR A 83 5.112 -1.597 -7.532 1.00 0.00 O ATOM 841 CB THR A 83 5.751 -4.283 -8.641 1.00 0.00 C ATOM 842 OG1 THR A 83 5.324 -5.537 -9.202 1.00 0.00 O ATOM 843 CG2 THR A 83 7.266 -4.324 -8.401 1.00 0.00 C ATOM 0 H THR A 83 3.275 -4.062 -8.593 1.00 0.00 H new ATOM 0 HA THR A 83 5.232 -4.724 -6.572 1.00 0.00 H new ATOM 0 HB THR A 83 5.552 -3.463 -9.331 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.828 -5.717 -10.023 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.778 -4.525 -9.342 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.598 -3.364 -8.005 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.500 -5.112 -7.685 1.00 0.00 H new ATOM 851 N PRO A 84 5.640 -2.433 -5.481 1.00 0.00 N ATOM 852 CA PRO A 84 5.960 -1.115 -4.884 1.00 0.00 C ATOM 853 C PRO A 84 7.411 -0.653 -5.166 1.00 0.00 C ATOM 854 O PRO A 84 7.720 0.538 -5.035 1.00 0.00 O ATOM 855 CB PRO A 84 5.720 -1.379 -3.384 1.00 0.00 C ATOM 856 CG PRO A 84 6.160 -2.800 -3.190 1.00 0.00 C ATOM 857 CD PRO A 84 5.764 -3.529 -4.463 1.00 0.00 C ATOM 0 HA PRO A 84 5.359 -0.305 -5.296 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.296 -0.694 -2.761 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.671 -1.246 -3.118 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.236 -2.858 -3.024 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.679 -3.244 -2.319 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.516 -4.262 -4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 84 4.825 -4.068 -4.339 1.00 0.00 H new ATOM 865 N GLU A 85 8.282 -1.607 -5.556 1.00 0.00 N ATOM 866 CA GLU A 85 9.700 -1.353 -5.851 1.00 0.00 C ATOM 867 C GLU A 85 10.056 -2.050 -7.184 1.00 0.00 C ATOM 868 O GLU A 85 10.073 -1.376 -8.231 1.00 0.00 O ATOM 869 CB GLU A 85 10.601 -1.860 -4.679 1.00 0.00 C ATOM 870 CG GLU A 85 12.100 -1.505 -4.830 1.00 0.00 C ATOM 871 CD GLU A 85 12.986 -2.092 -3.715 1.00 0.00 C ATOM 872 OE1 GLU A 85 13.383 -3.273 -3.819 1.00 0.00 O ATOM 873 OE2 GLU A 85 13.290 -1.381 -2.733 1.00 0.00 O ATOM 874 OXT GLU A 85 10.261 -3.285 -7.191 1.00 0.00 O ATOM 0 H GLU A 85 8.014 -2.584 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 85 9.878 -0.282 -5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.232 -1.439 -3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.502 -2.943 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.456 -1.868 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.209 -0.421 -4.837 1.00 0.00 H new