USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 502 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 39 ASN : amide:sc= 0.57 K(o=1.8,f=0.015!) USER MOD Set 1.2: A 49 GLN : amide:sc= 0.701 K(o=1.8,f=-2.8!) USER MOD Set 1.3: A 69 SER OG : rot 180:sc= 0.566 USER MOD Single : A 1 MET CE :methyl 168:sc= 0 (180deg=-0.142) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.09 (180deg=-0.149) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -127:sc= 0 (180deg=-0.542) USER MOD Single : A 6 THR OG1 : rot 96:sc= 0.918 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.498 K(o=-0.5,f=-3.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -63:sc= 0.88 USER MOD Single : A 27 SER OG : rot 180:sc= -1.1 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= 0.0219 X(o=0.022,f=-0.13) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0745 X(o=-0.074,f=-0.13) USER MOD Single : A 42 TYR OH : rot 30:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0.904 (180deg=0.85) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.390 -11.804 0.227 1.00 49.53 N ATOM 2 CA MET A 1 -0.201 -12.194 1.501 1.00 50.07 C ATOM 3 C MET A 1 -0.536 -10.973 2.350 1.00 50.51 C ATOM 4 O MET A 1 -0.110 -9.860 2.048 1.00 49.49 O ATOM 5 CB MET A 1 0.746 -13.122 2.260 1.00 49.82 C ATOM 6 CG MET A 1 0.956 -14.479 1.605 1.00 49.86 C ATOM 7 SD MET A 1 2.140 -15.506 2.499 1.00 49.91 S ATOM 8 CE MET A 1 1.183 -15.942 3.947 1.00 49.78 C ATOM 0 H1 MET A 1 -0.204 -12.152 -0.552 1.00 49.53 H new ATOM 0 H2 MET A 1 0.454 -10.767 0.177 1.00 49.53 H new ATOM 0 H3 MET A 1 1.342 -12.214 0.146 1.00 49.53 H new ATOM 0 HA MET A 1 -1.130 -12.726 1.294 1.00 50.07 H new ATOM 0 HB2 MET A 1 1.713 -12.629 2.364 1.00 49.82 H new ATOM 0 HB3 MET A 1 0.356 -13.274 3.266 1.00 49.82 H new ATOM 0 HG2 MET A 1 0.001 -15.001 1.545 1.00 49.86 H new ATOM 0 HG3 MET A 1 1.305 -14.335 0.583 1.00 49.86 H new ATOM 0 HE1 MET A 1 1.689 -16.739 4.491 1.00 49.78 H new ATOM 0 HE2 MET A 1 1.082 -15.070 4.592 1.00 49.78 H new ATOM 0 HE3 MET A 1 0.194 -16.283 3.640 1.00 49.78 H new ATOM 18 N SER A 2 -1.300 -11.192 3.414 1.00 49.53 N ATOM 19 CA SER A 2 -1.701 -10.108 4.305 1.00 50.07 C ATOM 20 C SER A 2 -0.546 -9.673 5.197 1.00 50.51 C ATOM 21 O SER A 2 0.482 -10.347 5.273 1.00 49.49 O ATOM 22 CB SER A 2 -2.886 -10.537 5.148 1.00 50.05 C ATOM 23 OG SER A 2 -2.546 -11.545 6.061 1.00 49.34 O ATOM 0 H SER A 2 -1.655 -12.110 3.681 1.00 49.53 H new ATOM 0 HA SER A 2 -1.991 -9.254 3.692 1.00 50.07 H new ATOM 0 HB2 SER A 2 -3.277 -9.675 5.689 1.00 50.05 H new ATOM 0 HB3 SER A 2 -3.684 -10.893 4.496 1.00 50.05 H new ATOM 0 HG SER A 2 -3.336 -11.792 6.585 1.00 49.34 H new ATOM 29 N GLY A 3 -0.720 -8.539 5.869 1.00 49.53 N ATOM 30 CA GLY A 3 0.315 -8.002 6.745 1.00 49.98 C ATOM 31 C GLY A 3 0.860 -6.685 6.210 1.00 50.51 C ATOM 32 O GLY A 3 0.521 -6.265 5.103 1.00 49.49 O ATOM 0 H GLY A 3 -1.568 -7.974 5.823 1.00 49.53 H new ATOM 0 HA2 GLY A 3 -0.093 -7.851 7.744 1.00 49.98 H new ATOM 0 HA3 GLY A 3 1.127 -8.724 6.838 1.00 49.98 H new ATOM 36 N LYS A 4 1.708 -6.036 7.001 1.00 49.53 N ATOM 37 CA LYS A 4 2.302 -4.764 6.609 1.00 50.07 C ATOM 38 C LYS A 4 3.393 -4.965 5.565 1.00 50.51 C ATOM 39 O LYS A 4 4.445 -5.535 5.855 1.00 49.49 O ATOM 40 CB LYS A 4 2.868 -4.037 7.830 1.00 49.82 C ATOM 41 CG LYS A 4 3.420 -2.649 7.536 1.00 49.82 C ATOM 42 CD LYS A 4 3.859 -1.946 8.812 1.00 49.82 C ATOM 43 CE LYS A 4 4.452 -0.577 8.514 1.00 50.21 C ATOM 44 NZ LYS A 4 4.863 0.133 9.755 1.00 49.70 N ATOM 0 H LYS A 4 2.000 -6.371 7.919 1.00 49.53 H new ATOM 0 HA LYS A 4 1.516 -4.151 6.167 1.00 50.07 H new ATOM 0 HB2 LYS A 4 2.084 -3.951 8.582 1.00 49.82 H new ATOM 0 HB3 LYS A 4 3.661 -4.645 8.265 1.00 49.82 H new ATOM 0 HG2 LYS A 4 4.266 -2.729 6.853 1.00 49.82 H new ATOM 0 HG3 LYS A 4 2.659 -2.052 7.033 1.00 49.82 H new ATOM 0 HD2 LYS A 4 3.006 -1.837 9.481 1.00 49.82 H new ATOM 0 HD3 LYS A 4 4.596 -2.558 9.332 1.00 49.82 H new ATOM 0 HE2 LYS A 4 5.315 -0.691 7.858 1.00 50.21 H new ATOM 0 HE3 LYS A 4 3.720 0.026 7.976 1.00 50.21 H new ATOM 0 HZ1 LYS A 4 5.262 1.061 9.508 1.00 49.70 H new ATOM 0 HZ2 LYS A 4 4.035 0.265 10.370 1.00 49.70 H new ATOM 0 HZ3 LYS A 4 5.580 -0.430 10.256 1.00 49.70 H new ATOM 58 N MET A 5 3.137 -4.492 4.351 1.00 49.53 N ATOM 59 CA MET A 5 4.063 -4.686 3.242 1.00 50.07 C ATOM 60 C MET A 5 4.196 -3.418 2.407 1.00 50.51 C ATOM 61 O MET A 5 3.309 -2.565 2.410 1.00 49.49 O ATOM 62 CB MET A 5 3.602 -5.850 2.365 1.00 49.82 C ATOM 63 CG MET A 5 3.639 -7.208 3.052 1.00 49.86 C ATOM 64 SD MET A 5 3.105 -8.549 1.971 1.00 49.91 S ATOM 65 CE MET A 5 3.127 -9.931 3.108 1.00 49.78 C ATOM 0 H MET A 5 2.294 -3.971 4.109 1.00 49.53 H new ATOM 0 HA MET A 5 5.043 -4.921 3.658 1.00 50.07 H new ATOM 0 HB2 MET A 5 2.584 -5.654 2.028 1.00 49.82 H new ATOM 0 HB3 MET A 5 4.230 -5.889 1.475 1.00 49.82 H new ATOM 0 HG2 MET A 5 4.653 -7.408 3.398 1.00 49.86 H new ATOM 0 HG3 MET A 5 3.000 -7.182 3.935 1.00 49.86 H new ATOM 0 HE1 MET A 5 3.725 -10.739 2.687 1.00 49.78 H new ATOM 0 HE2 MET A 5 3.561 -9.615 4.057 1.00 49.78 H new ATOM 0 HE3 MET A 5 2.108 -10.282 3.274 1.00 49.78 H new ATOM 75 N THR A 6 5.310 -3.303 1.691 1.00 49.53 N ATOM 76 CA THR A 6 5.532 -2.171 0.798 1.00 50.07 C ATOM 77 C THR A 6 5.178 -2.529 -0.640 1.00 50.51 C ATOM 78 O THR A 6 5.106 -3.704 -0.998 1.00 49.49 O ATOM 79 CB THR A 6 6.993 -1.688 0.852 1.00 50.14 C ATOM 80 OG1 THR A 6 7.862 -2.730 0.390 1.00 49.34 O ATOM 81 CG2 THR A 6 7.376 -1.305 2.272 1.00 49.73 C ATOM 0 H THR A 6 6.073 -3.980 1.712 1.00 49.53 H new ATOM 0 HA THR A 6 4.881 -1.367 1.140 1.00 50.07 H new ATOM 0 HB THR A 6 7.094 -0.812 0.211 1.00 50.14 H new ATOM 0 HG1 THR A 6 8.060 -2.594 -0.560 1.00 49.34 H new ATOM 0 HG21 THR A 6 8.412 -0.966 2.291 1.00 49.73 H new ATOM 0 HG22 THR A 6 6.725 -0.503 2.621 1.00 49.73 H new ATOM 0 HG23 THR A 6 7.266 -2.171 2.925 1.00 49.73 H new ATOM 89 N GLY A 7 4.958 -1.507 -1.461 1.00 49.53 N ATOM 90 CA GLY A 7 4.611 -1.711 -2.861 1.00 49.98 C ATOM 91 C GLY A 7 4.738 -0.418 -3.654 1.00 50.51 C ATOM 92 O GLY A 7 5.242 0.585 -3.148 1.00 49.49 O ATOM 0 H GLY A 7 5.014 -0.528 -1.179 1.00 49.53 H new ATOM 0 HA2 GLY A 7 5.262 -2.471 -3.293 1.00 49.98 H new ATOM 0 HA3 GLY A 7 3.590 -2.087 -2.934 1.00 49.98 H new ATOM 96 N ILE A 8 4.277 -0.445 -4.901 1.00 49.53 N ATOM 97 CA ILE A 8 4.372 0.714 -5.780 1.00 50.07 C ATOM 98 C ILE A 8 3.049 0.979 -6.488 1.00 50.51 C ATOM 99 O ILE A 8 2.408 0.055 -6.988 1.00 49.49 O ATOM 100 CB ILE A 8 5.482 0.538 -6.831 1.00 49.91 C ATOM 101 CG1 ILE A 8 5.666 1.827 -7.636 1.00 49.82 C ATOM 102 CG2 ILE A 8 5.159 -0.628 -7.754 1.00 49.73 C ATOM 103 CD1 ILE A 8 6.934 1.859 -8.458 1.00 49.73 C ATOM 0 H ILE A 8 3.833 -1.259 -5.325 1.00 49.53 H new ATOM 0 HA ILE A 8 4.618 1.567 -5.148 1.00 50.07 H new ATOM 0 HB ILE A 8 6.417 0.319 -6.315 1.00 49.91 H new ATOM 0 HG12 ILE A 8 4.811 1.955 -8.300 1.00 49.82 H new ATOM 0 HG13 ILE A 8 5.667 2.675 -6.951 1.00 49.82 H new ATOM 0 HG21 ILE A 8 5.954 -0.739 -8.492 1.00 49.73 H new ATOM 0 HG22 ILE A 8 5.077 -1.544 -7.168 1.00 49.73 H new ATOM 0 HG23 ILE A 8 4.215 -0.438 -8.264 1.00 49.73 H new ATOM 0 HD11 ILE A 8 6.993 2.803 -8.999 1.00 49.73 H new ATOM 0 HD12 ILE A 8 7.797 1.764 -7.799 1.00 49.73 H new ATOM 0 HD13 ILE A 8 6.928 1.033 -9.169 1.00 49.73 H new ATOM 115 N VAL A 9 2.649 2.244 -6.528 1.00 49.53 N ATOM 116 CA VAL A 9 1.379 2.627 -7.137 1.00 50.07 C ATOM 117 C VAL A 9 1.437 2.506 -8.655 1.00 50.51 C ATOM 118 O VAL A 9 2.255 3.155 -9.307 1.00 49.49 O ATOM 119 CB VAL A 9 0.983 4.066 -6.760 1.00 49.91 C ATOM 120 CG1 VAL A 9 -0.319 4.456 -7.444 1.00 49.73 C ATOM 121 CG2 VAL A 9 0.851 4.205 -5.250 1.00 49.73 C ATOM 0 H VAL A 9 3.185 3.023 -6.146 1.00 49.53 H new ATOM 0 HA VAL A 9 0.626 1.941 -6.750 1.00 50.07 H new ATOM 0 HB VAL A 9 1.769 4.740 -7.101 1.00 49.91 H new ATOM 0 HG11 VAL A 9 -0.584 5.476 -7.167 1.00 49.73 H new ATOM 0 HG12 VAL A 9 -0.195 4.395 -8.525 1.00 49.73 H new ATOM 0 HG13 VAL A 9 -1.112 3.777 -7.131 1.00 49.73 H new ATOM 0 HG21 VAL A 9 0.571 5.229 -5.002 1.00 49.73 H new ATOM 0 HG22 VAL A 9 0.084 3.521 -4.887 1.00 49.73 H new ATOM 0 HG23 VAL A 9 1.804 3.965 -4.778 1.00 49.73 H new ATOM 131 N LYS A 10 0.564 1.675 -9.212 1.00 49.53 N ATOM 132 CA LYS A 10 0.508 1.477 -10.654 1.00 50.07 C ATOM 133 C LYS A 10 -0.450 2.464 -11.309 1.00 50.51 C ATOM 134 O LYS A 10 -0.163 3.007 -12.376 1.00 49.49 O ATOM 135 CB LYS A 10 0.090 0.041 -10.982 1.00 49.82 C ATOM 136 CG LYS A 10 0.047 -0.276 -12.471 1.00 49.82 C ATOM 137 CD LYS A 10 -0.227 -1.753 -12.714 1.00 49.82 C ATOM 138 CE LYS A 10 -0.248 -2.075 -14.200 1.00 50.21 C ATOM 139 NZ LYS A 10 -0.380 -3.537 -14.452 1.00 49.70 N ATOM 0 H LYS A 10 -0.116 1.127 -8.685 1.00 49.53 H new ATOM 0 HA LYS A 10 1.506 1.655 -11.054 1.00 50.07 H new ATOM 0 HB2 LYS A 10 0.783 -0.646 -10.496 1.00 49.82 H new ATOM 0 HB3 LYS A 10 -0.895 -0.145 -10.555 1.00 49.82 H new ATOM 0 HG2 LYS A 10 -0.727 0.323 -12.950 1.00 49.82 H new ATOM 0 HG3 LYS A 10 0.995 0.001 -12.931 1.00 49.82 H new ATOM 0 HD2 LYS A 10 0.538 -2.353 -12.221 1.00 49.82 H new ATOM 0 HD3 LYS A 10 -1.183 -2.026 -12.267 1.00 49.82 H new ATOM 0 HE2 LYS A 10 -1.077 -1.549 -14.673 1.00 50.21 H new ATOM 0 HE3 LYS A 10 0.668 -1.708 -14.663 1.00 50.21 H new ATOM 0 HZ1 LYS A 10 -0.390 -3.713 -15.477 1.00 49.70 H new ATOM 0 HZ2 LYS A 10 0.424 -4.037 -14.023 1.00 49.70 H new ATOM 0 HZ3 LYS A 10 -1.267 -3.883 -14.032 1.00 49.70 H new ATOM 153 N TRP A 11 -1.590 2.691 -10.665 1.00 49.53 N ATOM 154 CA TRP A 11 -2.597 3.603 -11.190 1.00 50.07 C ATOM 155 C TRP A 11 -3.497 4.130 -10.078 1.00 50.51 C ATOM 156 O TRP A 11 -3.661 3.486 -9.042 1.00 49.49 O ATOM 157 CB TRP A 11 -3.440 2.907 -12.260 1.00 49.82 C ATOM 158 CG TRP A 11 -4.430 3.815 -12.927 1.00 49.97 C ATOM 159 CD1 TRP A 11 -5.778 3.839 -12.726 1.00 50.03 C ATOM 160 CD2 TRP A 11 -4.150 4.830 -13.898 1.00 49.98 C ATOM 161 NE1 TRP A 11 -6.357 4.803 -13.512 1.00 49.39 N ATOM 162 CE2 TRP A 11 -5.377 5.427 -14.241 1.00 50.13 C ATOM 163 CE3 TRP A 11 -2.979 5.291 -14.510 1.00 49.88 C ATOM 164 CZ2 TRP A 11 -5.469 6.457 -15.165 1.00 49.88 C ATOM 165 CZ3 TRP A 11 -3.071 6.323 -15.437 1.00 49.88 C ATOM 166 CH2 TRP A 11 -4.281 6.889 -15.755 1.00 49.88 C ATOM 0 H TRP A 11 -1.839 2.255 -9.777 1.00 49.53 H new ATOM 0 HA TRP A 11 -2.079 4.450 -11.640 1.00 50.07 H new ATOM 0 HB2 TRP A 11 -2.777 2.487 -13.017 1.00 49.82 H new ATOM 0 HB3 TRP A 11 -3.974 2.073 -11.805 1.00 49.82 H new ATOM 0 HD1 TRP A 11 -6.313 3.192 -12.046 1.00 50.03 H new ATOM 0 HE1 TRP A 11 -7.353 5.020 -13.548 1.00 49.39 H new ATOM 0 HE3 TRP A 11 -2.022 4.853 -14.267 1.00 49.88 H new ATOM 0 HZ2 TRP A 11 -6.419 6.905 -15.417 1.00 49.88 H new ATOM 0 HZ3 TRP A 11 -2.174 6.686 -15.916 1.00 49.88 H new ATOM 0 HH2 TRP A 11 -4.314 7.689 -16.480 1.00 49.88 H new ATOM 177 N PHE A 12 -4.078 5.304 -10.300 1.00 49.53 N ATOM 178 CA PHE A 12 -5.056 5.861 -9.374 1.00 50.07 C ATOM 179 C PHE A 12 -6.136 6.638 -10.117 1.00 50.51 C ATOM 180 O PHE A 12 -5.863 7.677 -10.721 1.00 49.49 O ATOM 181 CB PHE A 12 -4.369 6.764 -8.349 1.00 49.82 C ATOM 182 CG PHE A 12 -5.256 7.171 -7.207 1.00 50.00 C ATOM 183 CD1 PHE A 12 -6.065 8.294 -7.302 1.00 49.88 C ATOM 184 CD2 PHE A 12 -5.285 6.429 -6.036 1.00 49.88 C ATOM 185 CE1 PHE A 12 -6.880 8.669 -6.254 1.00 49.88 C ATOM 186 CE2 PHE A 12 -6.102 6.802 -4.984 1.00 49.88 C ATOM 187 CZ PHE A 12 -6.899 7.921 -5.093 1.00 49.88 C ATOM 0 H PHE A 12 -3.888 5.888 -11.114 1.00 49.53 H new ATOM 0 HA PHE A 12 -5.532 5.031 -8.851 1.00 50.07 H new ATOM 0 HB2 PHE A 12 -3.495 6.247 -7.952 1.00 49.82 H new ATOM 0 HB3 PHE A 12 -4.007 7.660 -8.853 1.00 49.82 H new ATOM 0 HD1 PHE A 12 -6.057 8.882 -8.208 1.00 49.88 H new ATOM 0 HD2 PHE A 12 -4.663 5.551 -5.944 1.00 49.88 H new ATOM 0 HE1 PHE A 12 -7.503 9.547 -6.341 1.00 49.88 H new ATOM 0 HE2 PHE A 12 -6.115 6.216 -4.077 1.00 49.88 H new ATOM 0 HZ PHE A 12 -7.537 8.213 -4.272 1.00 49.88 H new ATOM 197 N ASN A 13 -7.363 6.131 -10.070 1.00 49.53 N ATOM 198 CA ASN A 13 -8.496 6.809 -10.685 1.00 50.07 C ATOM 199 C ASN A 13 -9.171 7.758 -9.703 1.00 50.51 C ATOM 200 O ASN A 13 -10.039 7.353 -8.930 1.00 49.49 O ATOM 201 CB ASN A 13 -9.507 5.816 -11.233 1.00 49.82 C ATOM 202 CG ASN A 13 -10.639 6.458 -11.985 1.00 50.55 C ATOM 203 OD1 ASN A 13 -10.550 7.613 -12.414 1.00 49.45 O ATOM 204 ND2 ASN A 13 -11.731 5.744 -12.078 1.00 49.38 N ATOM 0 H ASN A 13 -7.598 5.251 -9.611 1.00 49.53 H new ATOM 0 HA ASN A 13 -8.106 7.394 -11.518 1.00 50.07 H new ATOM 0 HB2 ASN A 13 -8.995 5.116 -11.893 1.00 49.82 H new ATOM 0 HB3 ASN A 13 -9.915 5.234 -10.407 1.00 49.82 H new ATOM 0 HD21 ASN A 13 -12.561 6.137 -12.521 1.00 49.38 H new ATOM 0 HD22 ASN A 13 -11.752 4.794 -11.707 1.00 49.38 H new ATOM 211 N ALA A 14 -8.766 9.024 -9.737 1.00 49.53 N ATOM 212 CA ALA A 14 -9.247 10.008 -8.777 1.00 50.07 C ATOM 213 C ALA A 14 -10.744 10.245 -8.933 1.00 50.51 C ATOM 214 O ALA A 14 -11.417 10.663 -7.991 1.00 49.49 O ATOM 215 CB ALA A 14 -8.482 11.314 -8.929 1.00 49.73 C ATOM 0 H ALA A 14 -8.105 9.392 -10.421 1.00 49.53 H new ATOM 0 HA ALA A 14 -9.073 9.614 -7.775 1.00 50.07 H new ATOM 0 HB1 ALA A 14 -8.853 12.039 -8.205 1.00 49.73 H new ATOM 0 HB2 ALA A 14 -7.421 11.137 -8.754 1.00 49.73 H new ATOM 0 HB3 ALA A 14 -8.623 11.703 -9.937 1.00 49.73 H new ATOM 221 N ASP A 15 -11.258 9.975 -10.127 1.00 49.53 N ATOM 222 CA ASP A 15 -12.679 10.142 -10.405 1.00 50.07 C ATOM 223 C ASP A 15 -13.530 9.362 -9.411 1.00 50.51 C ATOM 224 O ASP A 15 -14.597 9.821 -8.999 1.00 49.49 O ATOM 225 CB ASP A 15 -13.003 9.701 -11.835 1.00 49.72 C ATOM 226 CG ASP A 15 -12.497 10.648 -12.916 1.00 50.62 C ATOM 227 OD1 ASP A 15 -12.105 11.741 -12.584 1.00 49.24 O ATOM 228 OD2 ASP A 15 -12.356 10.218 -14.034 1.00 49.24 O ATOM 0 H ASP A 15 -10.711 9.639 -10.919 1.00 49.53 H new ATOM 0 HA ASP A 15 -12.916 11.201 -10.300 1.00 50.07 H new ATOM 0 HB2 ASP A 15 -12.573 8.714 -12.004 1.00 49.72 H new ATOM 0 HB3 ASP A 15 -14.084 9.600 -11.935 1.00 49.72 H new ATOM 233 N LYS A 16 -13.054 8.183 -9.030 1.00 49.53 N ATOM 234 CA LYS A 16 -13.759 7.347 -8.065 1.00 50.07 C ATOM 235 C LYS A 16 -12.979 7.234 -6.761 1.00 50.51 C ATOM 236 O LYS A 16 -13.504 6.761 -5.752 1.00 49.49 O ATOM 237 CB LYS A 16 -14.015 5.957 -8.648 1.00 49.82 C ATOM 238 CG LYS A 16 -14.948 5.942 -9.851 1.00 49.82 C ATOM 239 CD LYS A 16 -15.163 4.525 -10.367 1.00 49.82 C ATOM 240 CE LYS A 16 -16.082 4.511 -11.580 1.00 50.21 C ATOM 241 NZ LYS A 16 -16.273 3.137 -12.117 1.00 49.70 N ATOM 0 H LYS A 16 -12.181 7.783 -9.375 1.00 49.53 H new ATOM 0 HA LYS A 16 -14.716 7.821 -7.849 1.00 50.07 H new ATOM 0 HB2 LYS A 16 -13.061 5.517 -8.938 1.00 49.82 H new ATOM 0 HB3 LYS A 16 -14.436 5.321 -7.869 1.00 49.82 H new ATOM 0 HG2 LYS A 16 -15.907 6.380 -9.576 1.00 49.82 H new ATOM 0 HG3 LYS A 16 -14.531 6.561 -10.645 1.00 49.82 H new ATOM 0 HD2 LYS A 16 -14.203 4.082 -10.631 1.00 49.82 H new ATOM 0 HD3 LYS A 16 -15.592 3.909 -9.576 1.00 49.82 H new ATOM 0 HE2 LYS A 16 -17.050 4.931 -11.307 1.00 50.21 H new ATOM 0 HE3 LYS A 16 -15.665 5.150 -12.358 1.00 50.21 H new ATOM 0 HZ1 LYS A 16 -16.905 3.172 -12.942 1.00 49.70 H new ATOM 0 HZ2 LYS A 16 -15.353 2.745 -12.402 1.00 49.70 H new ATOM 0 HZ3 LYS A 16 -16.695 2.533 -11.383 1.00 49.70 H new ATOM 255 N GLY A 17 -11.724 7.669 -6.789 1.00 49.53 N ATOM 256 CA GLY A 17 -10.850 7.559 -5.627 1.00 49.98 C ATOM 257 C GLY A 17 -10.318 6.141 -5.469 1.00 50.51 C ATOM 258 O GLY A 17 -10.025 5.697 -4.359 1.00 49.49 O ATOM 0 H GLY A 17 -11.289 8.101 -7.604 1.00 49.53 H new ATOM 0 HA2 GLY A 17 -10.016 8.254 -5.729 1.00 49.98 H new ATOM 0 HA3 GLY A 17 -11.397 7.847 -4.729 1.00 49.98 H new ATOM 262 N PHE A 18 -10.195 5.434 -6.588 1.00 49.53 N ATOM 263 CA PHE A 18 -9.799 4.030 -6.567 1.00 50.07 C ATOM 264 C PHE A 18 -8.361 3.857 -7.039 1.00 50.51 C ATOM 265 O PHE A 18 -8.041 4.125 -8.198 1.00 49.49 O ATOM 266 CB PHE A 18 -10.741 3.196 -7.436 1.00 49.82 C ATOM 267 CG PHE A 18 -12.131 3.072 -6.875 1.00 50.00 C ATOM 268 CD1 PHE A 18 -12.400 3.436 -5.566 1.00 49.88 C ATOM 269 CD2 PHE A 18 -13.169 2.589 -7.657 1.00 49.88 C ATOM 270 CE1 PHE A 18 -13.678 3.322 -5.048 1.00 49.88 C ATOM 271 CE2 PHE A 18 -14.447 2.475 -7.145 1.00 49.88 C ATOM 272 CZ PHE A 18 -14.701 2.842 -5.838 1.00 49.88 C ATOM 0 H PHE A 18 -10.364 5.810 -7.521 1.00 49.53 H new ATOM 0 HA PHE A 18 -9.864 3.680 -5.537 1.00 50.07 H new ATOM 0 HB2 PHE A 18 -10.798 3.644 -8.428 1.00 49.82 H new ATOM 0 HB3 PHE A 18 -10.319 2.199 -7.560 1.00 49.82 H new ATOM 0 HD1 PHE A 18 -11.603 3.813 -4.942 1.00 49.88 H new ATOM 0 HD2 PHE A 18 -12.976 2.298 -8.679 1.00 49.88 H new ATOM 0 HE1 PHE A 18 -13.874 3.609 -4.025 1.00 49.88 H new ATOM 0 HE2 PHE A 18 -15.247 2.099 -7.766 1.00 49.88 H new ATOM 0 HZ PHE A 18 -15.699 2.753 -5.435 1.00 49.88 H new ATOM 282 N GLY A 19 -7.497 3.409 -6.136 1.00 49.53 N ATOM 283 CA GLY A 19 -6.081 3.248 -6.443 1.00 49.98 C ATOM 284 C GLY A 19 -5.713 1.777 -6.588 1.00 50.51 C ATOM 285 O GLY A 19 -6.375 0.904 -6.029 1.00 49.49 O ATOM 0 H GLY A 19 -7.753 3.150 -5.183 1.00 49.53 H new ATOM 0 HA2 GLY A 19 -5.844 3.778 -7.366 1.00 49.98 H new ATOM 0 HA3 GLY A 19 -5.481 3.700 -5.653 1.00 49.98 H new ATOM 289 N PHE A 20 -4.650 1.511 -7.342 1.00 49.53 N ATOM 290 CA PHE A 20 -4.168 0.147 -7.529 1.00 50.07 C ATOM 291 C PHE A 20 -2.674 0.048 -7.246 1.00 50.51 C ATOM 292 O PHE A 20 -1.857 0.636 -7.954 1.00 49.49 O ATOM 293 CB PHE A 20 -4.466 -0.334 -8.952 1.00 49.82 C ATOM 294 CG PHE A 20 -5.896 -0.140 -9.368 1.00 50.00 C ATOM 295 CD1 PHE A 20 -6.854 -1.101 -9.080 1.00 49.88 C ATOM 296 CD2 PHE A 20 -6.288 1.002 -10.050 1.00 49.88 C ATOM 297 CE1 PHE A 20 -8.170 -0.927 -9.464 1.00 49.88 C ATOM 298 CE2 PHE A 20 -7.602 1.181 -10.434 1.00 49.88 C ATOM 299 CZ PHE A 20 -8.544 0.217 -10.141 1.00 49.88 C ATOM 0 H PHE A 20 -4.107 2.221 -7.833 1.00 49.53 H new ATOM 0 HA PHE A 20 -4.693 -0.494 -6.820 1.00 50.07 H new ATOM 0 HB2 PHE A 20 -3.819 0.198 -9.649 1.00 49.82 H new ATOM 0 HB3 PHE A 20 -4.215 -1.392 -9.028 1.00 49.82 H new ATOM 0 HD1 PHE A 20 -6.568 -1.997 -8.549 1.00 49.88 H new ATOM 0 HD2 PHE A 20 -5.556 1.761 -10.284 1.00 49.88 H new ATOM 0 HE1 PHE A 20 -8.905 -1.685 -9.235 1.00 49.88 H new ATOM 0 HE2 PHE A 20 -7.892 2.076 -10.964 1.00 49.88 H new ATOM 0 HZ PHE A 20 -9.572 0.357 -10.441 1.00 49.88 H new ATOM 309 N ILE A 21 -2.325 -0.702 -6.207 1.00 49.53 N ATOM 310 CA ILE A 21 -0.940 -0.795 -5.761 1.00 50.07 C ATOM 311 C ILE A 21 -0.397 -2.207 -5.939 1.00 50.51 C ATOM 312 O ILE A 21 -0.994 -3.175 -5.469 1.00 49.49 O ATOM 313 CB ILE A 21 -0.791 -0.380 -4.286 1.00 49.91 C ATOM 314 CG1 ILE A 21 -1.280 1.057 -4.083 1.00 49.82 C ATOM 315 CG2 ILE A 21 0.655 -0.522 -3.837 1.00 49.73 C ATOM 316 CD1 ILE A 21 -1.363 1.473 -2.632 1.00 49.73 C ATOM 0 H ILE A 21 -2.983 -1.255 -5.657 1.00 49.53 H new ATOM 0 HA ILE A 21 -0.365 -0.107 -6.381 1.00 50.07 H new ATOM 0 HB ILE A 21 -1.406 -1.042 -3.676 1.00 49.91 H new ATOM 0 HG12 ILE A 21 -0.610 1.737 -4.609 1.00 49.82 H new ATOM 0 HG13 ILE A 21 -2.264 1.164 -4.539 1.00 49.82 H new ATOM 0 HG21 ILE A 21 0.742 -0.224 -2.792 1.00 49.73 H new ATOM 0 HG22 ILE A 21 0.970 -1.560 -3.946 1.00 49.73 H new ATOM 0 HG23 ILE A 21 1.291 0.116 -4.450 1.00 49.73 H new ATOM 0 HD11 ILE A 21 -1.717 2.502 -2.568 1.00 49.73 H new ATOM 0 HD12 ILE A 21 -2.056 0.818 -2.105 1.00 49.73 H new ATOM 0 HD13 ILE A 21 -0.376 1.400 -2.175 1.00 49.73 H new ATOM 328 N THR A 22 0.738 -2.317 -6.620 1.00 49.53 N ATOM 329 CA THR A 22 1.393 -3.607 -6.814 1.00 50.07 C ATOM 330 C THR A 22 2.475 -3.838 -5.768 1.00 50.51 C ATOM 331 O THR A 22 3.445 -3.085 -5.686 1.00 49.49 O ATOM 332 CB THR A 22 2.018 -3.717 -8.217 1.00 50.14 C ATOM 333 OG1 THR A 22 0.987 -3.639 -9.210 1.00 49.34 O ATOM 334 CG2 THR A 22 2.763 -5.035 -8.367 1.00 49.73 C ATOM 0 H THR A 22 1.224 -1.529 -7.047 1.00 49.53 H new ATOM 0 HA THR A 22 0.622 -4.370 -6.709 1.00 50.07 H new ATOM 0 HB THR A 22 2.723 -2.896 -8.350 1.00 50.14 H new ATOM 0 HG1 THR A 22 0.377 -4.399 -9.108 1.00 49.34 H new ATOM 0 HG21 THR A 22 3.198 -5.095 -9.365 1.00 49.73 H new ATOM 0 HG22 THR A 22 3.556 -5.092 -7.621 1.00 49.73 H new ATOM 0 HG23 THR A 22 2.069 -5.863 -8.223 1.00 49.73 H new ATOM 342 N PRO A 23 2.302 -4.886 -4.968 1.00 49.71 N ATOM 343 CA PRO A 23 3.237 -5.190 -3.892 1.00 50.02 C ATOM 344 C PRO A 23 4.643 -5.415 -4.431 1.00 50.51 C ATOM 345 O PRO A 23 4.819 -5.893 -5.552 1.00 49.49 O ATOM 346 CB PRO A 23 2.658 -6.455 -3.237 1.00 49.82 C ATOM 347 CG PRO A 23 1.193 -6.432 -3.576 1.00 49.82 C ATOM 348 CD PRO A 23 1.244 -5.897 -5.086 1.00 50.00 C ATOM 0 HA PRO A 23 3.338 -4.373 -3.178 1.00 50.02 H new ATOM 0 HB2 PRO A 23 3.138 -7.354 -3.622 1.00 49.82 H new ATOM 0 HB3 PRO A 23 2.814 -6.448 -2.158 1.00 49.82 H new ATOM 0 HG2 PRO A 23 0.736 -7.419 -3.502 1.00 49.82 H new ATOM 0 HG3 PRO A 23 0.627 -5.769 -2.921 1.00 49.82 H new ATOM 0 HD2 PRO A 23 1.497 -6.683 -5.797 1.00 50.00 H new ATOM 0 HD3 PRO A 23 0.294 -5.470 -5.408 1.00 50.00 H new ATOM 356 N ASP A 24 5.643 -5.069 -3.626 1.00 49.53 N ATOM 357 CA ASP A 24 7.037 -5.262 -4.009 1.00 50.07 C ATOM 358 C ASP A 24 7.404 -6.740 -4.023 1.00 50.51 C ATOM 359 O ASP A 24 8.432 -7.128 -4.578 1.00 49.49 O ATOM 360 CB ASP A 24 7.964 -4.498 -3.061 1.00 49.72 C ATOM 361 CG ASP A 24 8.000 -2.994 -3.292 1.00 50.62 C ATOM 362 OD1 ASP A 24 7.529 -2.559 -4.318 1.00 49.24 O ATOM 363 OD2 ASP A 24 8.351 -2.281 -2.382 1.00 49.24 O ATOM 0 H ASP A 24 5.513 -4.653 -2.704 1.00 49.53 H new ATOM 0 HA ASP A 24 7.163 -4.870 -5.018 1.00 50.07 H new ATOM 0 HB2 ASP A 24 7.650 -4.688 -2.035 1.00 49.72 H new ATOM 0 HB3 ASP A 24 8.975 -4.893 -3.164 1.00 49.72 H new ATOM 368 N ASP A 25 6.559 -7.561 -3.410 1.00 49.53 N ATOM 369 CA ASP A 25 6.753 -9.007 -3.418 1.00 50.07 C ATOM 370 C ASP A 25 6.256 -9.622 -4.718 1.00 50.51 C ATOM 371 O ASP A 25 6.529 -10.787 -5.011 1.00 49.49 O ATOM 372 CB ASP A 25 6.039 -9.649 -2.225 1.00 49.72 C ATOM 373 CG ASP A 25 6.686 -9.365 -0.876 1.00 50.62 C ATOM 374 OD1 ASP A 25 7.806 -8.911 -0.861 1.00 49.24 O ATOM 375 OD2 ASP A 25 6.005 -9.453 0.117 1.00 49.24 O ATOM 0 H ASP A 25 5.732 -7.250 -2.901 1.00 49.53 H new ATOM 0 HA ASP A 25 7.823 -9.201 -3.337 1.00 50.07 H new ATOM 0 HB2 ASP A 25 5.008 -9.296 -2.201 1.00 49.72 H new ATOM 0 HB3 ASP A 25 6.003 -10.728 -2.377 1.00 49.72 H new ATOM 380 N GLY A 26 5.525 -8.834 -5.499 1.00 49.53 N ATOM 381 CA GLY A 26 4.990 -9.300 -6.773 1.00 49.98 C ATOM 382 C GLY A 26 3.705 -10.093 -6.573 1.00 50.51 C ATOM 383 O GLY A 26 3.254 -10.801 -7.475 1.00 49.49 O ATOM 0 H GLY A 26 5.289 -7.868 -5.272 1.00 49.53 H new ATOM 0 HA2 GLY A 26 4.797 -8.447 -7.423 1.00 49.98 H new ATOM 0 HA3 GLY A 26 5.730 -9.922 -7.276 1.00 49.98 H new ATOM 387 N SER A 27 3.120 -9.974 -5.386 1.00 49.53 N ATOM 388 CA SER A 27 1.896 -10.697 -5.059 1.00 50.07 C ATOM 389 C SER A 27 0.685 -10.061 -5.730 1.00 50.51 C ATOM 390 O SER A 27 0.804 -9.044 -6.413 1.00 49.49 O ATOM 391 CB SER A 27 1.703 -10.743 -3.556 1.00 50.05 C ATOM 392 OG SER A 27 1.392 -9.483 -3.027 1.00 49.34 O ATOM 0 H SER A 27 3.474 -9.383 -4.634 1.00 49.53 H new ATOM 0 HA SER A 27 1.992 -11.715 -5.436 1.00 50.07 H new ATOM 0 HB2 SER A 27 0.904 -11.445 -3.315 1.00 50.05 H new ATOM 0 HB3 SER A 27 2.611 -11.119 -3.085 1.00 50.05 H new ATOM 0 HG SER A 27 1.274 -9.556 -2.057 1.00 49.34 H new ATOM 398 N LYS A 28 -0.480 -10.666 -5.532 1.00 49.53 N ATOM 399 CA LYS A 28 -1.717 -10.156 -6.110 1.00 50.07 C ATOM 400 C LYS A 28 -1.879 -8.665 -5.839 1.00 50.51 C ATOM 401 O LYS A 28 -1.690 -8.206 -4.713 1.00 49.49 O ATOM 402 CB LYS A 28 -2.922 -10.923 -5.563 1.00 49.82 C ATOM 403 CG LYS A 28 -4.260 -10.504 -6.159 1.00 49.82 C ATOM 404 CD LYS A 28 -5.398 -11.361 -5.624 1.00 49.82 C ATOM 405 CE LYS A 28 -6.738 -10.919 -6.192 1.00 50.21 C ATOM 406 NZ LYS A 28 -7.857 -11.768 -5.701 1.00 49.70 N ATOM 0 H LYS A 28 -0.594 -11.512 -4.974 1.00 49.53 H new ATOM 0 HA LYS A 28 -1.664 -10.303 -7.189 1.00 50.07 H new ATOM 0 HB2 LYS A 28 -2.774 -11.987 -5.747 1.00 49.82 H new ATOM 0 HB3 LYS A 28 -2.962 -10.789 -4.482 1.00 49.82 H new ATOM 0 HG2 LYS A 28 -4.451 -9.456 -5.927 1.00 49.82 H new ATOM 0 HG3 LYS A 28 -4.219 -10.588 -7.245 1.00 49.82 H new ATOM 0 HD2 LYS A 28 -5.220 -12.406 -5.878 1.00 49.82 H new ATOM 0 HD3 LYS A 28 -5.423 -11.298 -4.536 1.00 49.82 H new ATOM 0 HE2 LYS A 28 -6.923 -9.880 -5.918 1.00 50.21 H new ATOM 0 HE3 LYS A 28 -6.702 -10.960 -7.281 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 -8.752 -11.434 -6.111 1.00 49.70 H new ATOM 0 HZ2 LYS A 28 -7.694 -12.755 -5.984 1.00 49.70 H new ATOM 0 HZ3 LYS A 28 -7.908 -11.709 -4.664 1.00 49.70 H new ATOM 420 N ASP A 29 -2.229 -7.914 -6.878 1.00 49.53 N ATOM 421 CA ASP A 29 -2.410 -6.473 -6.754 1.00 50.07 C ATOM 422 C ASP A 29 -3.360 -6.134 -5.614 1.00 50.51 C ATOM 423 O ASP A 29 -4.383 -6.795 -5.427 1.00 49.49 O ATOM 424 CB ASP A 29 -2.931 -5.883 -8.067 1.00 49.72 C ATOM 425 CG ASP A 29 -1.885 -5.778 -9.169 1.00 50.62 C ATOM 426 OD1 ASP A 29 -0.721 -5.912 -8.870 1.00 49.24 O ATOM 427 OD2 ASP A 29 -2.262 -5.721 -10.315 1.00 49.24 O ATOM 0 H ASP A 29 -2.393 -8.280 -7.816 1.00 49.53 H new ATOM 0 HA ASP A 29 -1.438 -6.033 -6.530 1.00 50.07 H new ATOM 0 HB2 ASP A 29 -3.757 -6.497 -8.425 1.00 49.72 H new ATOM 0 HB3 ASP A 29 -3.334 -4.890 -7.870 1.00 49.72 H new ATOM 432 N VAL A 30 -3.020 -5.098 -4.854 1.00 49.53 N ATOM 433 CA VAL A 30 -3.813 -4.705 -3.695 1.00 50.07 C ATOM 434 C VAL A 30 -4.643 -3.463 -3.992 1.00 50.51 C ATOM 435 O VAL A 30 -4.129 -2.467 -4.499 1.00 49.49 O ATOM 436 CB VAL A 30 -2.922 -4.432 -2.468 1.00 49.91 C ATOM 437 CG1 VAL A 30 -3.772 -4.029 -1.272 1.00 49.73 C ATOM 438 CG2 VAL A 30 -2.085 -5.658 -2.134 1.00 49.73 C ATOM 0 H VAL A 30 -2.200 -4.515 -5.020 1.00 49.53 H new ATOM 0 HA VAL A 30 -4.479 -5.539 -3.472 1.00 50.07 H new ATOM 0 HB VAL A 30 -2.249 -3.609 -2.708 1.00 49.91 H new ATOM 0 HG11 VAL A 30 -3.127 -3.840 -0.414 1.00 49.73 H new ATOM 0 HG12 VAL A 30 -4.332 -3.125 -1.511 1.00 49.73 H new ATOM 0 HG13 VAL A 30 -4.468 -4.833 -1.032 1.00 49.73 H new ATOM 0 HG21 VAL A 30 -1.462 -5.447 -1.265 1.00 49.73 H new ATOM 0 HG22 VAL A 30 -2.743 -6.499 -1.914 1.00 49.73 H new ATOM 0 HG23 VAL A 30 -1.450 -5.908 -2.984 1.00 49.73 H new ATOM 448 N PHE A 31 -5.932 -3.530 -3.672 1.00 49.53 N ATOM 449 CA PHE A 31 -6.845 -2.423 -3.934 1.00 50.07 C ATOM 450 C PHE A 31 -6.848 -1.427 -2.781 1.00 50.51 C ATOM 451 O PHE A 31 -6.907 -1.813 -1.614 1.00 49.49 O ATOM 452 CB PHE A 31 -8.260 -2.946 -4.182 1.00 49.82 C ATOM 453 CG PHE A 31 -8.370 -3.859 -5.371 1.00 50.00 C ATOM 454 CD1 PHE A 31 -8.589 -3.346 -6.640 1.00 49.88 C ATOM 455 CD2 PHE A 31 -8.255 -5.233 -5.220 1.00 49.88 C ATOM 456 CE1 PHE A 31 -8.691 -4.182 -7.733 1.00 49.88 C ATOM 457 CE2 PHE A 31 -8.355 -6.073 -6.313 1.00 49.88 C ATOM 458 CZ PHE A 31 -8.574 -5.549 -7.570 1.00 49.88 C ATOM 0 H PHE A 31 -6.368 -4.340 -3.231 1.00 49.53 H new ATOM 0 HA PHE A 31 -6.497 -1.906 -4.828 1.00 50.07 H new ATOM 0 HB2 PHE A 31 -8.601 -3.478 -3.294 1.00 49.82 H new ATOM 0 HB3 PHE A 31 -8.931 -2.099 -4.323 1.00 49.82 H new ATOM 0 HD1 PHE A 31 -8.681 -2.278 -6.775 1.00 49.88 H new ATOM 0 HD2 PHE A 31 -8.086 -5.651 -4.239 1.00 49.88 H new ATOM 0 HE1 PHE A 31 -8.862 -3.768 -8.716 1.00 49.88 H new ATOM 0 HE2 PHE A 31 -8.262 -7.141 -6.183 1.00 49.88 H new ATOM 0 HZ PHE A 31 -8.654 -6.205 -8.424 1.00 49.88 H new ATOM 468 N VAL A 32 -6.784 -0.144 -3.116 1.00 49.53 N ATOM 469 CA VAL A 32 -6.716 0.909 -2.109 1.00 50.07 C ATOM 470 C VAL A 32 -7.721 2.017 -2.402 1.00 50.51 C ATOM 471 O VAL A 32 -7.910 2.407 -3.553 1.00 49.49 O ATOM 472 CB VAL A 32 -5.305 1.519 -2.023 1.00 49.91 C ATOM 473 CG1 VAL A 32 -4.897 2.110 -3.364 1.00 49.73 C ATOM 474 CG2 VAL A 32 -5.248 2.581 -0.935 1.00 49.73 C ATOM 0 H VAL A 32 -6.778 0.193 -4.079 1.00 49.53 H new ATOM 0 HA VAL A 32 -6.959 0.445 -1.153 1.00 50.07 H new ATOM 0 HB VAL A 32 -4.603 0.725 -1.767 1.00 49.91 H new ATOM 0 HG11 VAL A 32 -3.897 2.537 -3.284 1.00 49.73 H new ATOM 0 HG12 VAL A 32 -4.898 1.327 -4.122 1.00 49.73 H new ATOM 0 HG13 VAL A 32 -5.603 2.891 -3.648 1.00 49.73 H new ATOM 0 HG21 VAL A 32 -4.243 3.001 -0.889 1.00 49.73 H new ATOM 0 HG22 VAL A 32 -5.962 3.373 -1.162 1.00 49.73 H new ATOM 0 HG23 VAL A 32 -5.498 2.131 0.026 1.00 49.73 H new ATOM 484 N HIS A 33 -8.361 2.519 -1.351 1.00 49.53 N ATOM 485 CA HIS A 33 -9.258 3.661 -1.476 1.00 50.07 C ATOM 486 C HIS A 33 -8.573 4.949 -1.039 1.00 50.51 C ATOM 487 O HIS A 33 -7.669 4.931 -0.203 1.00 49.49 O ATOM 488 CB HIS A 33 -10.532 3.441 -0.656 1.00 49.92 C ATOM 489 CG HIS A 33 -11.306 2.224 -1.061 1.00 50.22 C ATOM 490 ND1 HIS A 33 -12.172 2.216 -2.134 1.00 49.30 N ATOM 491 CD2 HIS A 33 -11.344 0.977 -0.536 1.00 49.95 C ATOM 492 CE1 HIS A 33 -12.709 1.014 -2.252 1.00 50.25 C ATOM 493 NE2 HIS A 33 -12.224 0.245 -1.295 1.00 49.64 N ATOM 0 H HIS A 33 -8.275 2.152 -0.403 1.00 49.53 H new ATOM 0 HA HIS A 33 -9.528 3.755 -2.528 1.00 50.07 H new ATOM 0 HB2 HIS A 33 -10.265 3.357 0.398 1.00 49.92 H new ATOM 0 HB3 HIS A 33 -11.173 4.317 -0.754 1.00 49.92 H new ATOM 0 HD1 HIS A 33 -12.367 3.012 -2.741 1.00 49.30 H new ATOM 0 HD2 HIS A 33 -10.787 0.624 0.319 1.00 49.95 H new ATOM 0 HE1 HIS A 33 -13.423 0.712 -3.004 1.00 50.25 H new ATOM 501 N PHE A 34 -9.010 6.068 -1.608 1.00 49.53 N ATOM 502 CA PHE A 34 -8.489 7.376 -1.224 1.00 50.07 C ATOM 503 C PHE A 34 -8.615 7.599 0.277 1.00 50.51 C ATOM 504 O PHE A 34 -7.858 8.375 0.863 1.00 49.49 O ATOM 505 CB PHE A 34 -9.220 8.485 -1.984 1.00 49.82 C ATOM 506 CG PHE A 34 -10.612 8.749 -1.482 1.00 50.00 C ATOM 507 CD1 PHE A 34 -11.686 8.009 -1.952 1.00 49.88 C ATOM 508 CD2 PHE A 34 -10.847 9.738 -0.538 1.00 49.88 C ATOM 509 CE1 PHE A 34 -12.966 8.252 -1.490 1.00 49.88 C ATOM 510 CE2 PHE A 34 -12.126 9.981 -0.075 1.00 49.88 C ATOM 511 CZ PHE A 34 -13.185 9.238 -0.551 1.00 49.88 C ATOM 0 H PHE A 34 -9.723 6.096 -2.336 1.00 49.53 H new ATOM 0 HA PHE A 34 -7.431 7.405 -1.485 1.00 50.07 H new ATOM 0 HB2 PHE A 34 -8.638 9.404 -1.915 1.00 49.82 H new ATOM 0 HB3 PHE A 34 -9.269 8.218 -3.040 1.00 49.82 H new ATOM 0 HD1 PHE A 34 -11.521 7.235 -2.687 1.00 49.88 H new ATOM 0 HD2 PHE A 34 -10.022 10.324 -0.161 1.00 49.88 H new ATOM 0 HE1 PHE A 34 -13.795 7.670 -1.865 1.00 49.88 H new ATOM 0 HE2 PHE A 34 -12.296 10.754 0.660 1.00 49.88 H new ATOM 0 HZ PHE A 34 -14.185 9.428 -0.189 1.00 49.88 H new ATOM 521 N SER A 35 -9.573 6.917 0.895 1.00 49.53 N ATOM 522 CA SER A 35 -9.816 7.062 2.324 1.00 50.07 C ATOM 523 C SER A 35 -8.757 6.334 3.140 1.00 50.51 C ATOM 524 O SER A 35 -8.568 6.616 4.324 1.00 49.49 O ATOM 525 CB SER A 35 -11.199 6.547 2.672 1.00 50.05 C ATOM 526 OG SER A 35 -11.308 5.163 2.483 1.00 49.34 O ATOM 0 H SER A 35 -10.195 6.257 0.427 1.00 49.53 H new ATOM 0 HA SER A 35 -9.759 8.122 2.573 1.00 50.07 H new ATOM 0 HB2 SER A 35 -11.425 6.790 3.710 1.00 50.05 H new ATOM 0 HB3 SER A 35 -11.941 7.056 2.057 1.00 50.05 H new ATOM 0 HG SER A 35 -12.213 4.871 2.720 1.00 49.34 H new ATOM 532 N ALA A 36 -8.066 5.395 2.502 1.00 49.53 N ATOM 533 CA ALA A 36 -7.000 4.647 3.157 1.00 50.07 C ATOM 534 C ALA A 36 -5.696 5.436 3.158 1.00 50.51 C ATOM 535 O ALA A 36 -4.743 5.075 3.850 1.00 49.49 O ATOM 536 CB ALA A 36 -6.807 3.298 2.484 1.00 49.73 C ATOM 0 H ALA A 36 -8.226 5.134 1.529 1.00 49.53 H new ATOM 0 HA ALA A 36 -7.292 4.480 4.194 1.00 50.07 H new ATOM 0 HB1 ALA A 36 -6.008 2.752 2.985 1.00 49.73 H new ATOM 0 HB2 ALA A 36 -7.732 2.725 2.546 1.00 49.73 H new ATOM 0 HB3 ALA A 36 -6.543 3.448 1.437 1.00 49.73 H new ATOM 542 N ILE A 37 -5.660 6.512 2.381 1.00 49.53 N ATOM 543 CA ILE A 37 -4.473 7.354 2.294 1.00 50.07 C ATOM 544 C ILE A 37 -4.318 8.219 3.538 1.00 50.51 C ATOM 545 O ILE A 37 -5.195 9.018 3.863 1.00 49.49 O ATOM 546 CB ILE A 37 -4.516 8.262 1.051 1.00 49.91 C ATOM 547 CG1 ILE A 37 -4.559 7.418 -0.226 1.00 49.82 C ATOM 548 CG2 ILE A 37 -3.316 9.197 1.033 1.00 49.73 C ATOM 549 CD1 ILE A 37 -4.832 8.219 -1.478 1.00 49.73 C ATOM 0 H ILE A 37 -6.440 6.822 1.802 1.00 49.53 H new ATOM 0 HA ILE A 37 -3.617 6.684 2.214 1.00 50.07 H new ATOM 0 HB ILE A 37 -5.422 8.867 1.095 1.00 49.91 H new ATOM 0 HG12 ILE A 37 -3.608 6.898 -0.339 1.00 49.82 H new ATOM 0 HG13 ILE A 37 -5.329 6.654 -0.120 1.00 49.82 H new ATOM 0 HG21 ILE A 37 -3.362 9.831 0.148 1.00 49.73 H new ATOM 0 HG22 ILE A 37 -3.327 9.820 1.927 1.00 49.73 H new ATOM 0 HG23 ILE A 37 -2.398 8.610 1.011 1.00 49.73 H new ATOM 0 HD11 ILE A 37 -4.847 7.552 -2.340 1.00 49.73 H new ATOM 0 HD12 ILE A 37 -5.797 8.718 -1.388 1.00 49.73 H new ATOM 0 HD13 ILE A 37 -4.049 8.965 -1.610 1.00 49.73 H new ATOM 561 N GLN A 38 -3.196 8.054 4.230 1.00 49.53 N ATOM 562 CA GLN A 38 -2.959 8.758 5.484 1.00 50.07 C ATOM 563 C GLN A 38 -2.194 10.054 5.254 1.00 50.51 C ATOM 564 O GLN A 38 -1.979 10.834 6.182 1.00 49.49 O ATOM 565 CB GLN A 38 -2.185 7.869 6.461 1.00 49.82 C ATOM 566 CG GLN A 38 -2.895 6.573 6.819 1.00 49.82 C ATOM 567 CD GLN A 38 -4.245 6.813 7.469 1.00 50.55 C ATOM 568 OE1 GLN A 38 -4.368 7.619 8.396 1.00 49.45 O ATOM 569 NE2 GLN A 38 -5.265 6.113 6.988 1.00 49.38 N ATOM 0 H GLN A 38 -2.436 7.438 3.943 1.00 49.53 H new ATOM 0 HA GLN A 38 -3.931 9.002 5.913 1.00 50.07 H new ATOM 0 HB2 GLN A 38 -1.214 7.631 6.027 1.00 49.82 H new ATOM 0 HB3 GLN A 38 -1.996 8.431 7.375 1.00 49.82 H new ATOM 0 HG2 GLN A 38 -3.030 5.975 5.918 1.00 49.82 H new ATOM 0 HG3 GLN A 38 -2.267 5.993 7.495 1.00 49.82 H new ATOM 0 HE21 GLN A 38 -5.117 5.458 6.220 1.00 49.38 H new ATOM 0 HE22 GLN A 38 -6.197 6.230 7.386 1.00 49.38 H new ATOM 578 N ASN A 39 -1.785 10.281 4.009 1.00 49.53 N ATOM 579 CA ASN A 39 -1.082 11.504 3.644 1.00 50.07 C ATOM 580 C ASN A 39 -2.020 12.704 3.656 1.00 50.51 C ATOM 581 O ASN A 39 -3.211 12.575 3.373 1.00 49.49 O ATOM 582 CB ASN A 39 -0.411 11.376 2.289 1.00 49.82 C ATOM 583 CG ASN A 39 0.794 10.477 2.293 1.00 50.55 C ATOM 584 OD1 ASN A 39 1.411 10.238 3.338 1.00 49.45 O ATOM 585 ND2 ASN A 39 1.182 10.048 1.120 1.00 49.38 N ATOM 0 H ASN A 39 -1.929 9.632 3.236 1.00 49.53 H new ATOM 0 HA ASN A 39 -0.307 11.664 4.394 1.00 50.07 H new ATOM 0 HB2 ASN A 39 -1.135 10.994 1.569 1.00 49.82 H new ATOM 0 HB3 ASN A 39 -0.113 12.367 1.946 1.00 49.82 H new ATOM 0 HD21 ASN A 39 2.030 9.488 1.037 1.00 49.38 H new ATOM 0 HD22 ASN A 39 0.636 10.274 0.288 1.00 49.38 H new ATOM 592 N ASP A 40 -1.477 13.871 3.987 1.00 49.53 N ATOM 593 CA ASP A 40 -2.274 15.088 4.081 1.00 50.07 C ATOM 594 C ASP A 40 -2.612 15.633 2.701 1.00 50.51 C ATOM 595 O ASP A 40 -2.282 15.024 1.683 1.00 49.49 O ATOM 596 CB ASP A 40 -1.536 16.149 4.900 1.00 49.72 C ATOM 597 CG ASP A 40 -0.271 16.685 4.243 1.00 50.62 C ATOM 598 OD1 ASP A 40 -0.096 16.462 3.068 1.00 49.24 O ATOM 599 OD2 ASP A 40 0.427 17.440 4.874 1.00 49.24 O ATOM 0 H ASP A 40 -0.487 13.999 4.195 1.00 49.53 H new ATOM 0 HA ASP A 40 -3.207 14.837 4.585 1.00 50.07 H new ATOM 0 HB2 ASP A 40 -2.214 16.982 5.088 1.00 49.72 H new ATOM 0 HB3 ASP A 40 -1.275 15.725 5.870 1.00 49.72 H new ATOM 604 N GLY A 41 -3.275 16.786 2.670 1.00 49.53 N ATOM 605 CA GLY A 41 -3.690 17.398 1.414 1.00 49.98 C ATOM 606 C GLY A 41 -4.765 16.568 0.725 1.00 50.51 C ATOM 607 O GLY A 41 -5.510 15.837 1.377 1.00 49.49 O ATOM 0 H GLY A 41 -3.536 17.315 3.502 1.00 49.53 H new ATOM 0 HA2 GLY A 41 -4.068 18.402 1.604 1.00 49.98 H new ATOM 0 HA3 GLY A 41 -2.828 17.501 0.755 1.00 49.98 H new ATOM 611 N TYR A 42 -4.841 16.687 -0.596 1.00 49.53 N ATOM 612 CA TYR A 42 -5.801 15.919 -1.380 1.00 50.07 C ATOM 613 C TYR A 42 -5.439 14.439 -1.395 1.00 50.51 C ATOM 614 O TYR A 42 -4.277 14.074 -1.577 1.00 49.49 O ATOM 615 CB TYR A 42 -5.874 16.456 -2.812 1.00 49.82 C ATOM 616 CG TYR A 42 -6.902 15.760 -3.675 1.00 50.00 C ATOM 617 CD1 TYR A 42 -8.259 15.965 -3.472 1.00 49.88 C ATOM 618 CD2 TYR A 42 -6.514 14.901 -4.692 1.00 49.88 C ATOM 619 CE1 TYR A 42 -9.203 15.332 -4.258 1.00 49.88 C ATOM 620 CE2 TYR A 42 -7.448 14.262 -5.485 1.00 49.88 C ATOM 621 CZ TYR A 42 -8.793 14.481 -5.264 1.00 50.11 C ATOM 622 OH TYR A 42 -9.728 13.849 -6.051 1.00 49.46 O ATOM 0 H TYR A 42 -4.249 17.309 -1.147 1.00 49.53 H new ATOM 0 HA TYR A 42 -6.779 16.027 -0.910 1.00 50.07 H new ATOM 0 HB2 TYR A 42 -6.103 17.521 -2.779 1.00 49.82 H new ATOM 0 HB3 TYR A 42 -4.894 16.355 -3.278 1.00 49.82 H new ATOM 0 HD1 TYR A 42 -8.583 16.631 -2.686 1.00 49.88 H new ATOM 0 HD2 TYR A 42 -5.462 14.728 -4.868 1.00 49.88 H new ATOM 0 HE1 TYR A 42 -10.256 15.502 -4.086 1.00 49.88 H new ATOM 0 HE2 TYR A 42 -7.128 13.596 -6.272 1.00 49.88 H new ATOM 0 HH TYR A 42 -10.528 14.411 -6.124 1.00 49.46 H new ATOM 632 N LYS A 43 -6.443 13.588 -1.204 1.00 49.53 N ATOM 633 CA LYS A 43 -6.223 12.149 -1.126 1.00 50.07 C ATOM 634 C LYS A 43 -6.076 11.538 -2.513 1.00 50.51 C ATOM 635 O LYS A 43 -7.066 11.233 -3.177 1.00 49.49 O ATOM 636 CB LYS A 43 -7.370 11.471 -0.373 1.00 49.82 C ATOM 637 CG LYS A 43 -7.563 11.966 1.054 1.00 49.82 C ATOM 638 CD LYS A 43 -6.369 11.612 1.928 1.00 49.82 C ATOM 639 CE LYS A 43 -6.575 12.076 3.363 1.00 50.21 C ATOM 640 NZ LYS A 43 -5.959 13.407 3.611 1.00 49.70 N ATOM 0 H LYS A 43 -7.417 13.871 -1.100 1.00 49.53 H new ATOM 0 HA LYS A 43 -5.294 11.984 -0.580 1.00 50.07 H new ATOM 0 HB2 LYS A 43 -8.295 11.627 -0.927 1.00 49.82 H new ATOM 0 HB3 LYS A 43 -7.189 10.396 -0.351 1.00 49.82 H new ATOM 0 HG2 LYS A 43 -7.706 13.047 1.050 1.00 49.82 H new ATOM 0 HG3 LYS A 43 -8.467 11.526 1.475 1.00 49.82 H new ATOM 0 HD2 LYS A 43 -6.211 10.534 1.912 1.00 49.82 H new ATOM 0 HD3 LYS A 43 -5.469 12.072 1.521 1.00 49.82 H new ATOM 0 HE2 LYS A 43 -7.642 12.124 3.579 1.00 50.21 H new ATOM 0 HE3 LYS A 43 -6.144 11.344 4.046 1.00 50.21 H new ATOM 0 HZ1 LYS A 43 -6.249 13.755 4.547 1.00 49.70 H new ATOM 0 HZ2 LYS A 43 -4.923 13.321 3.579 1.00 49.70 H new ATOM 0 HZ3 LYS A 43 -6.273 14.077 2.880 1.00 49.70 H new ATOM 654 N SER A 44 -4.832 11.364 -2.949 1.00 49.53 N ATOM 655 CA SER A 44 -4.550 10.730 -4.231 1.00 50.07 C ATOM 656 C SER A 44 -3.153 10.126 -4.250 1.00 50.51 C ATOM 657 O SER A 44 -2.287 10.510 -3.464 1.00 49.49 O ATOM 658 CB SER A 44 -4.708 11.735 -5.355 1.00 50.05 C ATOM 659 OG SER A 44 -3.739 12.746 -5.297 1.00 49.34 O ATOM 0 H SER A 44 -4.002 11.654 -2.432 1.00 49.53 H new ATOM 0 HA SER A 44 -5.266 9.921 -4.376 1.00 50.07 H new ATOM 0 HB2 SER A 44 -4.638 11.221 -6.313 1.00 50.05 H new ATOM 0 HB3 SER A 44 -5.701 12.182 -5.305 1.00 50.05 H new ATOM 0 HG SER A 44 -3.874 13.372 -6.039 1.00 49.34 H new ATOM 665 N LEU A 45 -2.936 9.177 -5.156 1.00 49.53 N ATOM 666 CA LEU A 45 -1.640 8.523 -5.285 1.00 50.07 C ATOM 667 C LEU A 45 -0.999 8.831 -6.632 1.00 50.51 C ATOM 668 O LEU A 45 -1.686 8.937 -7.648 1.00 49.49 O ATOM 669 CB LEU A 45 -1.791 7.007 -5.101 1.00 49.82 C ATOM 670 CG LEU A 45 -2.364 6.567 -3.748 1.00 49.91 C ATOM 671 CD1 LEU A 45 -2.585 5.061 -3.737 1.00 49.73 C ATOM 672 CD2 LEU A 45 -1.412 6.981 -2.635 1.00 49.73 C ATOM 0 H LEU A 45 -3.643 8.844 -5.812 1.00 49.53 H new ATOM 0 HA LEU A 45 -0.986 8.912 -4.505 1.00 50.07 H new ATOM 0 HB2 LEU A 45 -2.435 6.624 -5.892 1.00 49.82 H new ATOM 0 HB3 LEU A 45 -0.814 6.542 -5.232 1.00 49.82 H new ATOM 0 HG LEU A 45 -3.327 7.052 -3.586 1.00 49.91 H new ATOM 0 HD11 LEU A 45 -2.992 4.760 -2.772 1.00 49.73 H new ATOM 0 HD12 LEU A 45 -3.286 4.790 -4.527 1.00 49.73 H new ATOM 0 HD13 LEU A 45 -1.636 4.553 -3.905 1.00 49.73 H new ATOM 0 HD21 LEU A 45 -1.819 6.669 -1.673 1.00 49.73 H new ATOM 0 HD22 LEU A 45 -0.443 6.507 -2.790 1.00 49.73 H new ATOM 0 HD23 LEU A 45 -1.292 8.064 -2.643 1.00 49.73 H new ATOM 684 N ASP A 46 0.322 8.974 -6.634 1.00 49.53 N ATOM 685 CA ASP A 46 1.062 9.245 -7.862 1.00 50.07 C ATOM 686 C ASP A 46 1.578 7.955 -8.488 1.00 50.51 C ATOM 687 O ASP A 46 2.024 7.048 -7.786 1.00 49.49 O ATOM 688 CB ASP A 46 2.226 10.199 -7.586 1.00 49.72 C ATOM 689 CG ASP A 46 1.806 11.628 -7.269 1.00 50.62 C ATOM 690 OD1 ASP A 46 0.671 11.962 -7.518 1.00 49.24 O ATOM 691 OD2 ASP A 46 2.567 12.325 -6.643 1.00 49.24 O ATOM 0 H ASP A 46 0.903 8.907 -5.798 1.00 49.53 H new ATOM 0 HA ASP A 46 0.378 9.717 -8.568 1.00 50.07 H new ATOM 0 HB2 ASP A 46 2.808 9.810 -6.750 1.00 49.72 H new ATOM 0 HB3 ASP A 46 2.884 10.211 -8.455 1.00 49.72 H new ATOM 696 N GLU A 47 1.517 7.882 -9.813 1.00 49.53 N ATOM 697 CA GLU A 47 2.027 6.727 -10.541 1.00 50.07 C ATOM 698 C GLU A 47 3.536 6.594 -10.374 1.00 50.51 C ATOM 699 O GLU A 47 4.288 7.520 -10.681 1.00 49.49 O ATOM 700 CB GLU A 47 1.669 6.826 -12.025 1.00 49.82 C ATOM 701 CG GLU A 47 2.057 5.607 -12.849 1.00 49.72 C ATOM 702 CD GLU A 47 1.622 5.753 -14.281 1.00 50.62 C ATOM 703 OE1 GLU A 47 0.988 6.734 -14.591 1.00 49.24 O ATOM 704 OE2 GLU A 47 2.016 4.944 -15.086 1.00 49.24 O ATOM 0 H GLU A 47 1.119 8.611 -10.405 1.00 49.53 H new ATOM 0 HA GLU A 47 1.557 5.836 -10.123 1.00 50.07 H new ATOM 0 HB2 GLU A 47 0.594 6.984 -12.117 1.00 49.82 H new ATOM 0 HB3 GLU A 47 2.158 7.704 -12.446 1.00 49.82 H new ATOM 0 HG2 GLU A 47 3.137 5.466 -12.808 1.00 49.72 H new ATOM 0 HG3 GLU A 47 1.603 4.715 -12.418 1.00 49.72 H new ATOM 711 N GLY A 48 3.974 5.437 -9.888 1.00 49.53 N ATOM 712 CA GLY A 48 5.391 5.191 -9.657 1.00 49.98 C ATOM 713 C GLY A 48 5.772 5.481 -8.210 1.00 50.51 C ATOM 714 O GLY A 48 6.911 5.258 -7.802 1.00 49.49 O ATOM 0 H GLY A 48 3.366 4.654 -9.646 1.00 49.53 H new ATOM 0 HA2 GLY A 48 5.627 4.154 -9.897 1.00 49.98 H new ATOM 0 HA3 GLY A 48 5.985 5.816 -10.324 1.00 49.98 H new ATOM 718 N GLN A 49 4.811 5.979 -7.439 1.00 49.53 N ATOM 719 CA GLN A 49 5.041 6.291 -6.034 1.00 50.07 C ATOM 720 C GLN A 49 5.135 5.022 -5.196 1.00 50.51 C ATOM 721 O GLN A 49 4.210 4.211 -5.175 1.00 49.49 O ATOM 722 CB GLN A 49 3.921 7.185 -5.494 1.00 49.82 C ATOM 723 CG GLN A 49 4.090 7.581 -4.037 1.00 49.82 C ATOM 724 CD GLN A 49 2.992 8.513 -3.560 1.00 50.55 C ATOM 725 OE1 GLN A 49 2.160 8.970 -4.349 1.00 49.45 O ATOM 726 NE2 GLN A 49 2.986 8.805 -2.265 1.00 49.38 N ATOM 0 H GLN A 49 3.864 6.175 -7.764 1.00 49.53 H new ATOM 0 HA GLN A 49 5.990 6.822 -5.964 1.00 50.07 H new ATOM 0 HB2 GLN A 49 3.868 8.089 -6.101 1.00 49.82 H new ATOM 0 HB3 GLN A 49 2.969 6.667 -5.610 1.00 49.82 H new ATOM 0 HG2 GLN A 49 4.096 6.684 -3.418 1.00 49.82 H new ATOM 0 HG3 GLN A 49 5.057 8.066 -3.905 1.00 49.82 H new ATOM 0 HE21 GLN A 49 3.693 8.405 -1.649 1.00 49.38 H new ATOM 0 HE22 GLN A 49 2.274 9.430 -1.886 1.00 49.38 H new ATOM 735 N LYS A 50 6.259 4.856 -4.507 1.00 49.53 N ATOM 736 CA LYS A 50 6.440 3.733 -3.596 1.00 50.07 C ATOM 737 C LYS A 50 5.848 4.036 -2.224 1.00 50.51 C ATOM 738 O LYS A 50 6.107 5.090 -1.644 1.00 49.49 O ATOM 739 CB LYS A 50 7.924 3.384 -3.463 1.00 49.82 C ATOM 740 CG LYS A 50 8.549 2.808 -4.725 1.00 49.82 C ATOM 741 CD LYS A 50 10.021 2.486 -4.516 1.00 49.82 C ATOM 742 CE LYS A 50 10.653 1.928 -5.784 1.00 50.21 C ATOM 743 NZ LYS A 50 12.096 1.618 -5.596 1.00 49.70 N ATOM 0 H LYS A 50 7.059 5.486 -4.563 1.00 49.53 H new ATOM 0 HA LYS A 50 5.911 2.876 -4.014 1.00 50.07 H new ATOM 0 HB2 LYS A 50 8.472 4.282 -3.178 1.00 49.82 H new ATOM 0 HB3 LYS A 50 8.045 2.666 -2.652 1.00 49.82 H new ATOM 0 HG2 LYS A 50 8.015 1.904 -5.018 1.00 49.82 H new ATOM 0 HG3 LYS A 50 8.443 3.520 -5.543 1.00 49.82 H new ATOM 0 HD2 LYS A 50 10.552 3.387 -4.209 1.00 49.82 H new ATOM 0 HD3 LYS A 50 10.126 1.763 -3.707 1.00 49.82 H new ATOM 0 HE2 LYS A 50 10.124 1.024 -6.085 1.00 50.21 H new ATOM 0 HE3 LYS A 50 10.539 2.649 -6.594 1.00 50.21 H new ATOM 0 HZ1 LYS A 50 12.488 1.241 -6.482 1.00 49.70 H new ATOM 0 HZ2 LYS A 50 12.606 2.485 -5.333 1.00 49.70 H new ATOM 0 HZ3 LYS A 50 12.204 0.911 -4.841 1.00 49.70 H new ATOM 757 N VAL A 51 5.052 3.104 -1.710 1.00 49.53 N ATOM 758 CA VAL A 51 4.296 3.332 -0.485 1.00 50.07 C ATOM 759 C VAL A 51 4.393 2.137 0.454 1.00 50.51 C ATOM 760 O VAL A 51 4.758 1.037 0.037 1.00 49.49 O ATOM 761 CB VAL A 51 2.813 3.621 -0.783 1.00 49.91 C ATOM 762 CG1 VAL A 51 2.668 4.927 -1.551 1.00 49.73 C ATOM 763 CG2 VAL A 51 2.194 2.473 -1.564 1.00 49.73 C ATOM 0 H VAL A 51 4.914 2.182 -2.124 1.00 49.53 H new ATOM 0 HA VAL A 51 4.737 4.204 -0.002 1.00 50.07 H new ATOM 0 HB VAL A 51 2.284 3.718 0.165 1.00 49.91 H new ATOM 0 HG11 VAL A 51 1.614 5.115 -1.753 1.00 49.73 H new ATOM 0 HG12 VAL A 51 3.075 5.745 -0.957 1.00 49.73 H new ATOM 0 HG13 VAL A 51 3.211 4.857 -2.494 1.00 49.73 H new ATOM 0 HG21 VAL A 51 1.146 2.694 -1.766 1.00 49.73 H new ATOM 0 HG22 VAL A 51 2.726 2.346 -2.507 1.00 49.73 H new ATOM 0 HG23 VAL A 51 2.265 1.555 -0.980 1.00 49.73 H new ATOM 773 N SER A 52 4.064 2.359 1.721 1.00 49.53 N ATOM 774 CA SER A 52 3.971 1.273 2.689 1.00 50.07 C ATOM 775 C SER A 52 2.591 1.226 3.335 1.00 50.51 C ATOM 776 O SER A 52 2.067 2.249 3.775 1.00 49.49 O ATOM 777 CB SER A 52 5.045 1.425 3.750 1.00 50.05 C ATOM 778 OG SER A 52 4.969 0.422 4.725 1.00 49.34 O ATOM 0 H SER A 52 3.857 3.282 2.102 1.00 49.53 H new ATOM 0 HA SER A 52 4.125 0.333 2.159 1.00 50.07 H new ATOM 0 HB2 SER A 52 6.027 1.397 3.278 1.00 50.05 H new ATOM 0 HB3 SER A 52 4.948 2.401 4.226 1.00 50.05 H new ATOM 0 HG SER A 52 5.679 0.556 5.388 1.00 49.34 H new ATOM 784 N PHE A 53 2.009 0.034 3.389 1.00 49.53 N ATOM 785 CA PHE A 53 0.606 -0.118 3.758 1.00 50.07 C ATOM 786 C PHE A 53 0.339 -1.497 4.348 1.00 50.51 C ATOM 787 O PHE A 53 1.155 -2.408 4.216 1.00 49.49 O ATOM 788 CB PHE A 53 -0.293 0.119 2.544 1.00 49.82 C ATOM 789 CG PHE A 53 0.022 -0.768 1.372 1.00 50.00 C ATOM 790 CD1 PHE A 53 1.096 -0.488 0.541 1.00 49.88 C ATOM 791 CD2 PHE A 53 -0.756 -1.884 1.100 1.00 49.88 C ATOM 792 CE1 PHE A 53 1.387 -1.303 -0.536 1.00 49.88 C ATOM 793 CE2 PHE A 53 -0.466 -2.701 0.023 1.00 49.88 C ATOM 794 CZ PHE A 53 0.605 -2.409 -0.796 1.00 49.88 C ATOM 0 H PHE A 53 2.487 -0.843 3.182 1.00 49.53 H new ATOM 0 HA PHE A 53 0.377 0.628 4.519 1.00 50.07 H new ATOM 0 HB2 PHE A 53 -1.331 -0.037 2.837 1.00 49.82 H new ATOM 0 HB3 PHE A 53 -0.202 1.160 2.234 1.00 49.82 H new ATOM 0 HD1 PHE A 53 1.712 0.377 0.738 1.00 49.88 H new ATOM 0 HD2 PHE A 53 -1.597 -2.117 1.736 1.00 49.88 H new ATOM 0 HE1 PHE A 53 2.227 -1.074 -1.175 1.00 49.88 H new ATOM 0 HE2 PHE A 53 -1.078 -3.568 -0.177 1.00 49.88 H new ATOM 0 HZ PHE A 53 0.831 -3.045 -1.639 1.00 49.88 H new ATOM 804 N THR A 54 -0.811 -1.644 4.997 1.00 49.53 N ATOM 805 CA THR A 54 -1.217 -2.927 5.556 1.00 50.07 C ATOM 806 C THR A 54 -2.180 -3.653 4.627 1.00 50.51 C ATOM 807 O THR A 54 -3.224 -3.115 4.255 1.00 49.49 O ATOM 808 CB THR A 54 -1.881 -2.757 6.936 1.00 50.14 C ATOM 809 OG1 THR A 54 -0.953 -2.147 7.843 1.00 49.34 O ATOM 810 CG2 THR A 54 -2.312 -4.107 7.490 1.00 49.73 C ATOM 0 H THR A 54 -1.479 -0.888 5.149 1.00 49.53 H new ATOM 0 HA THR A 54 -0.310 -3.521 5.670 1.00 50.07 H new ATOM 0 HB THR A 54 -2.761 -2.124 6.824 1.00 50.14 H new ATOM 0 HG1 THR A 54 -1.377 -2.038 8.720 1.00 49.34 H new ATOM 0 HG21 THR A 54 -2.779 -3.968 8.465 1.00 49.73 H new ATOM 0 HG22 THR A 54 -3.026 -4.569 6.808 1.00 49.73 H new ATOM 0 HG23 THR A 54 -1.440 -4.753 7.594 1.00 49.73 H new ATOM 818 N ILE A 55 -1.825 -4.878 4.254 1.00 49.53 N ATOM 819 CA ILE A 55 -2.658 -5.682 3.368 1.00 50.07 C ATOM 820 C ILE A 55 -3.634 -6.543 4.160 1.00 50.51 C ATOM 821 O ILE A 55 -3.231 -7.306 5.039 1.00 49.49 O ATOM 822 CB ILE A 55 -1.808 -6.588 2.460 1.00 49.91 C ATOM 823 CG1 ILE A 55 -0.877 -5.744 1.585 1.00 49.82 C ATOM 824 CG2 ILE A 55 -2.701 -7.466 1.598 1.00 49.73 C ATOM 825 CD1 ILE A 55 0.169 -6.551 0.851 1.00 49.73 C ATOM 0 H ILE A 55 -0.964 -5.336 4.552 1.00 49.53 H new ATOM 0 HA ILE A 55 -3.218 -4.984 2.745 1.00 50.07 H new ATOM 0 HB ILE A 55 -1.197 -7.234 3.090 1.00 49.91 H new ATOM 0 HG12 ILE A 55 -1.476 -5.196 0.858 1.00 49.82 H new ATOM 0 HG13 ILE A 55 -0.378 -5.004 2.210 1.00 49.82 H new ATOM 0 HG21 ILE A 55 -2.083 -8.100 0.962 1.00 49.73 H new ATOM 0 HG22 ILE A 55 -3.324 -8.091 2.238 1.00 49.73 H new ATOM 0 HG23 ILE A 55 -3.337 -6.837 0.975 1.00 49.73 H new ATOM 0 HD11 ILE A 55 0.790 -5.884 0.253 1.00 49.73 H new ATOM 0 HD12 ILE A 55 0.794 -7.079 1.572 1.00 49.73 H new ATOM 0 HD13 ILE A 55 -0.321 -7.273 0.198 1.00 49.73 H new ATOM 837 N GLU A 56 -4.918 -6.418 3.844 1.00 49.53 N ATOM 838 CA GLU A 56 -5.944 -7.252 4.459 1.00 50.07 C ATOM 839 C GLU A 56 -6.894 -7.818 3.413 1.00 50.51 C ATOM 840 O GLU A 56 -7.705 -7.090 2.838 1.00 49.49 O ATOM 841 CB GLU A 56 -6.726 -6.455 5.505 1.00 49.82 C ATOM 842 CG GLU A 56 -7.800 -7.254 6.230 1.00 49.72 C ATOM 843 CD GLU A 56 -8.548 -6.397 7.213 1.00 50.62 C ATOM 844 OE1 GLU A 56 -8.255 -5.228 7.297 1.00 49.24 O ATOM 845 OE2 GLU A 56 -9.486 -6.882 7.800 1.00 49.24 O ATOM 0 H GLU A 56 -5.274 -5.746 3.164 1.00 49.53 H new ATOM 0 HA GLU A 56 -5.444 -8.086 4.951 1.00 50.07 H new ATOM 0 HB2 GLU A 56 -6.026 -6.059 6.241 1.00 49.82 H new ATOM 0 HB3 GLU A 56 -7.194 -5.600 5.017 1.00 49.82 H new ATOM 0 HG2 GLU A 56 -8.498 -7.672 5.504 1.00 49.72 H new ATOM 0 HG3 GLU A 56 -7.341 -8.094 6.752 1.00 49.72 H new ATOM 852 N SER A 57 -6.791 -9.119 3.169 1.00 49.53 N ATOM 853 CA SER A 57 -7.628 -9.781 2.175 1.00 50.07 C ATOM 854 C SER A 57 -9.094 -9.762 2.588 1.00 50.51 C ATOM 855 O SER A 57 -9.447 -10.207 3.681 1.00 49.49 O ATOM 856 CB SER A 57 -7.157 -11.207 1.963 1.00 50.05 C ATOM 857 OG SER A 57 -7.968 -11.899 1.052 1.00 49.34 O ATOM 0 H SER A 57 -6.135 -9.737 3.646 1.00 49.53 H new ATOM 0 HA SER A 57 -7.538 -9.234 1.236 1.00 50.07 H new ATOM 0 HB2 SER A 57 -6.129 -11.199 1.600 1.00 50.05 H new ATOM 0 HB3 SER A 57 -7.154 -11.733 2.918 1.00 50.05 H new ATOM 0 HG SER A 57 -7.630 -12.812 0.942 1.00 49.34 H new ATOM 863 N GLY A 58 -9.944 -9.245 1.709 1.00 49.53 N ATOM 864 CA GLY A 58 -11.380 -9.215 1.959 1.00 49.98 C ATOM 865 C GLY A 58 -12.148 -9.935 0.857 1.00 50.51 C ATOM 866 O GLY A 58 -11.559 -10.641 0.038 1.00 49.49 O ATOM 0 H GLY A 58 -9.663 -8.840 0.816 1.00 49.53 H new ATOM 0 HA2 GLY A 58 -11.594 -9.683 2.920 1.00 49.98 H new ATOM 0 HA3 GLY A 58 -11.718 -8.181 2.025 1.00 49.98 H new ATOM 870 N ALA A 59 -13.464 -9.751 0.842 1.00 49.53 N ATOM 871 CA ALA A 59 -14.314 -10.395 -0.152 1.00 50.07 C ATOM 872 C ALA A 59 -14.001 -9.889 -1.556 1.00 50.51 C ATOM 873 O ALA A 59 -14.238 -10.584 -2.543 1.00 49.49 O ATOM 874 CB ALA A 59 -15.782 -10.167 0.180 1.00 49.73 C ATOM 0 H ALA A 59 -13.965 -9.161 1.507 1.00 49.53 H new ATOM 0 HA ALA A 59 -14.110 -11.465 -0.128 1.00 50.07 H new ATOM 0 HB1 ALA A 59 -16.405 -10.654 -0.571 1.00 49.73 H new ATOM 0 HB2 ALA A 59 -16.002 -10.587 1.162 1.00 49.73 H new ATOM 0 HB3 ALA A 59 -15.992 -9.097 0.187 1.00 49.73 H new ATOM 880 N LYS A 60 -13.465 -8.676 -1.636 1.00 49.53 N ATOM 881 CA LYS A 60 -13.145 -8.064 -2.921 1.00 50.07 C ATOM 882 C LYS A 60 -11.670 -8.238 -3.260 1.00 50.51 C ATOM 883 O LYS A 60 -11.188 -7.711 -4.263 1.00 49.49 O ATOM 884 CB LYS A 60 -13.510 -6.580 -2.912 1.00 49.82 C ATOM 885 CG LYS A 60 -14.999 -6.299 -2.741 1.00 49.82 C ATOM 886 CD LYS A 60 -15.289 -4.806 -2.789 1.00 49.82 C ATOM 887 CE LYS A 60 -16.768 -4.523 -2.575 1.00 50.21 C ATOM 888 NZ LYS A 60 -17.071 -3.066 -2.639 1.00 49.70 N ATOM 0 H LYS A 60 -13.243 -8.097 -0.826 1.00 49.53 H new ATOM 0 HA LYS A 60 -13.733 -8.569 -3.687 1.00 50.07 H new ATOM 0 HB2 LYS A 60 -12.965 -6.089 -2.106 1.00 49.82 H new ATOM 0 HB3 LYS A 60 -13.172 -6.130 -3.845 1.00 49.82 H new ATOM 0 HG2 LYS A 60 -15.559 -6.806 -3.527 1.00 49.82 H new ATOM 0 HG3 LYS A 60 -15.342 -6.708 -1.790 1.00 49.82 H new ATOM 0 HD2 LYS A 60 -14.704 -4.295 -2.024 1.00 49.82 H new ATOM 0 HD3 LYS A 60 -14.975 -4.403 -3.752 1.00 49.82 H new ATOM 0 HE2 LYS A 60 -17.351 -5.048 -3.331 1.00 50.21 H new ATOM 0 HE3 LYS A 60 -17.076 -4.915 -1.606 1.00 50.21 H new ATOM 0 HZ1 LYS A 60 -18.089 -2.916 -2.488 1.00 49.70 H new ATOM 0 HZ2 LYS A 60 -16.535 -2.567 -1.901 1.00 49.70 H new ATOM 0 HZ3 LYS A 60 -16.801 -2.696 -3.573 1.00 49.70 H new ATOM 902 N GLY A 61 -10.958 -8.982 -2.420 1.00 49.53 N ATOM 903 CA GLY A 61 -9.527 -9.187 -2.605 1.00 49.98 C ATOM 904 C GLY A 61 -8.720 -8.375 -1.600 1.00 50.51 C ATOM 905 O GLY A 61 -9.281 -7.731 -0.713 1.00 49.49 O ATOM 0 H GLY A 61 -11.349 -9.453 -1.604 1.00 49.53 H new ATOM 0 HA2 GLY A 61 -9.291 -10.245 -2.494 1.00 49.98 H new ATOM 0 HA3 GLY A 61 -9.244 -8.902 -3.618 1.00 49.98 H new ATOM 909 N PRO A 62 -7.399 -8.406 -1.746 1.00 49.71 N ATOM 910 CA PRO A 62 -6.513 -7.665 -0.857 1.00 50.02 C ATOM 911 C PRO A 62 -6.884 -6.188 -0.814 1.00 50.51 C ATOM 912 O PRO A 62 -6.938 -5.523 -1.849 1.00 49.49 O ATOM 913 CB PRO A 62 -5.111 -7.894 -1.447 1.00 49.82 C ATOM 914 CG PRO A 62 -5.206 -9.209 -2.171 1.00 49.82 C ATOM 915 CD PRO A 62 -6.678 -9.002 -2.878 1.00 50.00 C ATOM 0 HA PRO A 62 -6.577 -8.000 0.178 1.00 50.02 H new ATOM 0 HB2 PRO A 62 -4.832 -7.088 -2.126 1.00 49.82 H new ATOM 0 HB3 PRO A 62 -4.354 -7.928 -0.664 1.00 49.82 H new ATOM 0 HG2 PRO A 62 -4.405 -9.350 -2.897 1.00 49.82 H new ATOM 0 HG3 PRO A 62 -5.179 -10.065 -1.497 1.00 49.82 H new ATOM 0 HD2 PRO A 62 -6.639 -8.343 -3.745 1.00 50.00 H new ATOM 0 HD3 PRO A 62 -7.120 -9.941 -3.211 1.00 50.00 H new ATOM 923 N ALA A 63 -7.138 -5.682 0.387 1.00 49.53 N ATOM 924 CA ALA A 63 -7.412 -4.262 0.578 1.00 50.07 C ATOM 925 C ALA A 63 -6.302 -3.589 1.374 1.00 50.51 C ATOM 926 O ALA A 63 -5.787 -4.154 2.340 1.00 49.49 O ATOM 927 CB ALA A 63 -8.755 -4.071 1.266 1.00 49.73 C ATOM 0 H ALA A 63 -7.160 -6.234 1.244 1.00 49.53 H new ATOM 0 HA ALA A 63 -7.451 -3.790 -0.404 1.00 50.07 H new ATOM 0 HB1 ALA A 63 -8.946 -3.007 1.402 1.00 49.73 H new ATOM 0 HB2 ALA A 63 -9.544 -4.506 0.652 1.00 49.73 H new ATOM 0 HB3 ALA A 63 -8.739 -4.564 2.238 1.00 49.73 H new ATOM 933 N ALA A 64 -5.937 -2.379 0.966 1.00 49.53 N ATOM 934 CA ALA A 64 -4.873 -1.635 1.628 1.00 50.07 C ATOM 935 C ALA A 64 -5.436 -0.674 2.668 1.00 50.51 C ATOM 936 O ALA A 64 -6.442 -0.006 2.428 1.00 49.49 O ATOM 937 CB ALA A 64 -4.036 -0.882 0.604 1.00 49.73 C ATOM 0 H ALA A 64 -6.364 -1.892 0.178 1.00 49.53 H new ATOM 0 HA ALA A 64 -4.234 -2.350 2.145 1.00 50.07 H new ATOM 0 HB1 ALA A 64 -3.246 -0.331 1.114 1.00 49.73 H new ATOM 0 HB2 ALA A 64 -3.592 -1.591 -0.095 1.00 49.73 H new ATOM 0 HB3 ALA A 64 -4.670 -0.184 0.058 1.00 49.73 H new ATOM 943 N GLY A 65 -4.783 -0.610 3.822 1.00 49.53 N ATOM 944 CA GLY A 65 -5.105 0.393 4.830 1.00 49.98 C ATOM 945 C GLY A 65 -3.844 1.041 5.386 1.00 50.51 C ATOM 946 O GLY A 65 -2.731 0.595 5.108 1.00 49.49 O ATOM 0 H GLY A 65 -4.026 -1.242 4.083 1.00 49.53 H new ATOM 0 HA2 GLY A 65 -5.748 1.158 4.393 1.00 49.98 H new ATOM 0 HA3 GLY A 65 -5.667 -0.070 5.641 1.00 49.98 H new ATOM 950 N ASN A 66 -4.025 2.096 6.173 1.00 49.53 N ATOM 951 CA ASN A 66 -2.899 2.838 6.730 1.00 50.07 C ATOM 952 C ASN A 66 -1.821 3.072 5.681 1.00 50.51 C ATOM 953 O ASN A 66 -0.662 2.703 5.875 1.00 49.49 O ATOM 954 CB ASN A 66 -2.312 2.132 7.939 1.00 49.82 C ATOM 955 CG ASN A 66 -3.250 2.057 9.111 1.00 50.55 C ATOM 956 OD1 ASN A 66 -4.131 2.908 9.283 1.00 49.45 O ATOM 957 ND2 ASN A 66 -3.015 1.091 9.962 1.00 49.38 N ATOM 0 H ASN A 66 -4.941 2.457 6.440 1.00 49.53 H new ATOM 0 HA ASN A 66 -3.281 3.806 7.054 1.00 50.07 H new ATOM 0 HB2 ASN A 66 -2.022 1.121 7.653 1.00 49.82 H new ATOM 0 HB3 ASN A 66 -1.403 2.650 8.245 1.00 49.82 H new ATOM 0 HD21 ASN A 66 -3.571 1.015 10.814 1.00 49.38 H new ATOM 0 HD22 ASN A 66 -2.276 0.414 9.773 1.00 49.38 H new ATOM 964 N VAL A 67 -2.207 3.685 4.567 1.00 49.53 N ATOM 965 CA VAL A 67 -1.307 3.855 3.433 1.00 50.07 C ATOM 966 C VAL A 67 -0.487 5.133 3.567 1.00 50.51 C ATOM 967 O VAL A 67 -1.033 6.236 3.544 1.00 49.49 O ATOM 968 CB VAL A 67 -2.078 3.887 2.101 1.00 49.91 C ATOM 969 CG1 VAL A 67 -1.118 4.071 0.934 1.00 49.73 C ATOM 970 CG2 VAL A 67 -2.891 2.615 1.924 1.00 49.73 C ATOM 0 H VAL A 67 -3.140 4.073 4.426 1.00 49.53 H new ATOM 0 HA VAL A 67 -0.636 2.996 3.432 1.00 50.07 H new ATOM 0 HB VAL A 67 -2.764 4.734 2.121 1.00 49.91 H new ATOM 0 HG11 VAL A 67 -1.680 4.091 0.000 1.00 49.73 H new ATOM 0 HG12 VAL A 67 -0.577 5.010 1.052 1.00 49.73 H new ATOM 0 HG13 VAL A 67 -0.409 3.244 0.913 1.00 49.73 H new ATOM 0 HG21 VAL A 67 -3.429 2.656 0.977 1.00 49.73 H new ATOM 0 HG22 VAL A 67 -2.223 1.753 1.925 1.00 49.73 H new ATOM 0 HG23 VAL A 67 -3.604 2.522 2.743 1.00 49.73 H new ATOM 980 N THR A 68 0.824 4.976 3.705 1.00 49.53 N ATOM 981 CA THR A 68 1.729 6.116 3.770 1.00 50.07 C ATOM 982 C THR A 68 2.820 6.016 2.712 1.00 50.51 C ATOM 983 O THR A 68 3.040 4.952 2.133 1.00 49.49 O ATOM 984 CB THR A 68 2.385 6.240 5.158 1.00 50.14 C ATOM 985 OG1 THR A 68 3.172 5.071 5.422 1.00 49.34 O ATOM 986 CG2 THR A 68 1.325 6.386 6.238 1.00 49.73 C ATOM 0 H THR A 68 1.284 4.068 3.774 1.00 49.53 H new ATOM 0 HA THR A 68 1.126 7.004 3.583 1.00 50.07 H new ATOM 0 HB THR A 68 3.021 7.125 5.165 1.00 50.14 H new ATOM 0 HG1 THR A 68 3.591 5.151 6.304 1.00 49.34 H new ATOM 0 HG21 THR A 68 1.807 6.472 7.212 1.00 49.73 H new ATOM 0 HG22 THR A 68 0.731 7.280 6.047 1.00 49.73 H new ATOM 0 HG23 THR A 68 0.676 5.511 6.231 1.00 49.73 H new ATOM 994 N SER A 69 3.499 7.130 2.462 1.00 49.53 N ATOM 995 CA SER A 69 4.602 7.158 1.508 1.00 50.07 C ATOM 996 C SER A 69 5.824 6.429 2.057 1.00 50.51 C ATOM 997 O SER A 69 6.096 6.470 3.257 1.00 49.49 O ATOM 998 CB SER A 69 4.955 8.590 1.158 1.00 50.05 C ATOM 999 OG SER A 69 3.914 9.236 0.478 1.00 49.34 O ATOM 0 H SER A 69 3.305 8.027 2.907 1.00 49.53 H new ATOM 0 HA SER A 69 4.281 6.641 0.604 1.00 50.07 H new ATOM 0 HB2 SER A 69 5.188 9.139 2.070 1.00 50.05 H new ATOM 0 HB3 SER A 69 5.853 8.601 0.541 1.00 50.05 H new ATOM 0 HG SER A 69 4.180 10.156 0.272 1.00 49.34 H new ATOM 1005 N LEU A 70 6.556 5.764 1.170 1.00 49.53 N ATOM 1006 CA LEU A 70 7.745 5.018 1.565 1.00 50.07 C ATOM 1007 C LEU A 70 9.011 5.824 1.312 1.00 50.51 C ATOM 1008 O LEU A 70 10.119 5.361 1.582 1.00 49.49 O ATOM 1009 CB LEU A 70 7.804 3.680 0.815 1.00 49.82 C ATOM 1010 CG LEU A 70 9.033 2.814 1.121 1.00 49.91 C ATOM 1011 CD1 LEU A 70 8.988 2.336 2.566 1.00 49.73 C ATOM 1012 CD2 LEU A 70 9.074 1.633 0.164 1.00 49.73 C ATOM 0 H LEU A 70 6.347 5.726 0.172 1.00 49.53 H new ATOM 0 HA LEU A 70 7.682 4.822 2.635 1.00 50.07 H new ATOM 0 HB2 LEU A 70 6.908 3.108 1.054 1.00 49.82 H new ATOM 0 HB3 LEU A 70 7.778 3.881 -0.256 1.00 49.82 H new ATOM 0 HG LEU A 70 9.938 3.406 0.986 1.00 49.91 H new ATOM 0 HD11 LEU A 70 9.864 1.722 2.774 1.00 49.73 H new ATOM 0 HD12 LEU A 70 8.982 3.197 3.234 1.00 49.73 H new ATOM 0 HD13 LEU A 70 8.086 1.746 2.726 1.00 49.73 H new ATOM 0 HD21 LEU A 70 9.947 1.018 0.382 1.00 49.73 H new ATOM 0 HD22 LEU A 70 8.170 1.035 0.285 1.00 49.73 H new ATOM 0 HD23 LEU A 70 9.134 1.998 -0.861 1.00 49.73 H new TER 1024 LEU A 70