USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 373 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 MET CE :methyl 165:sc= -0.0029 (180deg=-0.321) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.36 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.779 K(o=-0.78,f=-4.3!) USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00414 USER MOD Single : A 36 GLN : amide:sc= -0.655 X(o=-0.65,f=-0.2) USER MOD Single : A 40 THR OG1 : rot 50:sc= -1.04 USER MOD Single : A 41 THR OG1 : rot 128:sc= 0.608 USER MOD Single : A 46 GLN : amide:sc= -0.646 K(o=-0.65,f=-5.2!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 1.85 K(o=1.8,f=-7.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc=0.000989 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc=-0.00258 X(o=-0.0026,f=0) USER MOD Single : A 64 ASN : amide:sc= -1.96! C(o=-2!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 19 2.479 1.822 -2.017 1.00 60.22 N ATOM 2 CA MET A 19 2.799 1.056 -3.217 1.00 14.14 C ATOM 3 C MET A 19 1.833 -0.112 -3.389 1.00 54.35 C ATOM 4 O MET A 19 1.094 -0.460 -2.470 1.00 13.14 O ATOM 5 CB MET A 19 4.237 0.538 -3.149 1.00 35.03 C ATOM 6 CG MET A 19 5.265 1.528 -3.671 1.00 54.30 C ATOM 7 SD MET A 19 6.913 1.237 -3.001 1.00 31.13 S ATOM 8 CE MET A 19 7.122 -0.505 -3.361 1.00 72.12 C ATOM 0 HA MET A 19 2.699 1.717 -4.078 1.00 14.14 H new ATOM 0 HB2 MET A 19 4.476 0.290 -2.115 1.00 35.03 H new ATOM 0 HB3 MET A 19 4.309 -0.385 -3.724 1.00 35.03 H new ATOM 0 HG2 MET A 19 5.303 1.466 -4.759 1.00 54.30 H new ATOM 0 HG3 MET A 19 4.949 2.540 -3.420 1.00 54.30 H new ATOM 0 HE1 MET A 19 8.173 -0.775 -3.256 1.00 72.12 H new ATOM 0 HE2 MET A 19 6.525 -1.094 -2.665 1.00 72.12 H new ATOM 0 HE3 MET A 19 6.796 -0.707 -4.381 1.00 72.12 H new ATOM 18 N GLY A 20 1.844 -0.713 -4.575 1.00 51.04 N ATOM 19 CA GLY A 20 0.964 -1.835 -4.847 1.00 1.32 C ATOM 20 C GLY A 20 -0.399 -1.396 -5.345 1.00 5.42 C ATOM 21 O GLY A 20 -0.791 -0.242 -5.167 1.00 21.14 O ATOM 0 H GLY A 20 2.447 -0.443 -5.352 1.00 51.04 H new ATOM 0 HA2 GLY A 20 1.427 -2.484 -5.590 1.00 1.32 H new ATOM 0 HA3 GLY A 20 0.843 -2.426 -3.939 1.00 1.32 H new ATOM 25 N CYS A 21 -1.122 -2.316 -5.973 1.00 33.44 N ATOM 26 CA CYS A 21 -2.448 -2.019 -6.500 1.00 52.44 C ATOM 27 C CYS A 21 -3.499 -2.934 -5.879 1.00 13.21 C ATOM 28 O CYS A 21 -3.174 -3.977 -5.311 1.00 63.25 O ATOM 29 CB CYS A 21 -2.460 -2.171 -8.023 1.00 1.52 C ATOM 30 SG CYS A 21 -1.715 -0.768 -8.916 1.00 23.33 S ATOM 0 H CYS A 21 -0.812 -3.275 -6.130 1.00 33.44 H new ATOM 0 HA CYS A 21 -2.691 -0.988 -6.242 1.00 52.44 H new ATOM 0 HB2 CYS A 21 -1.926 -3.083 -8.291 1.00 1.52 H new ATOM 0 HB3 CYS A 21 -3.490 -2.295 -8.357 1.00 1.52 H new ATOM 35 N THR A 22 -4.763 -2.536 -5.990 1.00 41.30 N ATOM 36 CA THR A 22 -5.862 -3.318 -5.439 1.00 60.20 C ATOM 37 C THR A 22 -6.838 -3.740 -6.531 1.00 72.12 C ATOM 38 O THR A 22 -7.070 -3.002 -7.489 1.00 32.01 O ATOM 39 CB THR A 22 -6.627 -2.530 -4.359 1.00 41.32 C ATOM 40 OG1 THR A 22 -7.151 -1.319 -4.916 1.00 33.12 O ATOM 41 CG2 THR A 22 -5.719 -2.202 -3.184 1.00 1.34 C ATOM 0 H THR A 22 -5.050 -1.676 -6.457 1.00 41.30 H new ATOM 0 HA THR A 22 -5.421 -4.206 -4.986 1.00 60.20 H new ATOM 0 HB THR A 22 -7.449 -3.150 -4.001 1.00 41.32 H new ATOM 0 HG1 THR A 22 -7.637 -0.824 -4.224 1.00 33.12 H new ATOM 0 HG21 THR A 22 -6.281 -1.645 -2.434 1.00 1.34 H new ATOM 0 HG22 THR A 22 -5.344 -3.126 -2.745 1.00 1.34 H new ATOM 0 HG23 THR A 22 -4.880 -1.599 -3.530 1.00 1.34 H new ATOM 49 N TYR A 23 -7.408 -4.931 -6.381 1.00 41.40 N ATOM 50 CA TYR A 23 -8.358 -5.451 -7.356 1.00 75.52 C ATOM 51 C TYR A 23 -9.728 -5.670 -6.719 1.00 64.15 C ATOM 52 O TYR A 23 -9.831 -6.136 -5.584 1.00 72.44 O ATOM 53 CB TYR A 23 -7.844 -6.764 -7.950 1.00 74.00 C ATOM 54 CG TYR A 23 -8.854 -7.468 -8.828 1.00 34.24 C ATOM 55 CD1 TYR A 23 -9.759 -8.375 -8.289 1.00 14.21 C ATOM 56 CD2 TYR A 23 -8.903 -7.228 -10.195 1.00 73.11 C ATOM 57 CE1 TYR A 23 -10.684 -9.021 -9.087 1.00 24.22 C ATOM 58 CE2 TYR A 23 -9.825 -7.869 -11.000 1.00 40.24 C ATOM 59 CZ TYR A 23 -10.713 -8.764 -10.442 1.00 23.43 C ATOM 60 OH TYR A 23 -11.631 -9.406 -11.241 1.00 14.33 O ATOM 0 H TYR A 23 -7.228 -5.554 -5.593 1.00 41.40 H new ATOM 0 HA TYR A 23 -8.461 -4.715 -8.153 1.00 75.52 H new ATOM 0 HB2 TYR A 23 -6.946 -6.562 -8.534 1.00 74.00 H new ATOM 0 HB3 TYR A 23 -7.553 -7.431 -7.138 1.00 74.00 H new ATOM 0 HD1 TYR A 23 -9.739 -8.578 -7.228 1.00 14.21 H new ATOM 0 HD2 TYR A 23 -8.209 -6.528 -10.636 1.00 73.11 H new ATOM 0 HE1 TYR A 23 -11.380 -9.723 -8.652 1.00 24.22 H new ATOM 0 HE2 TYR A 23 -9.850 -7.670 -12.061 1.00 40.24 H new ATOM 0 HH TYR A 23 -11.519 -9.112 -12.169 1.00 14.33 H new ATOM 70 N THR A 24 -10.778 -5.330 -7.460 1.00 33.04 N ATOM 71 CA THR A 24 -12.142 -5.488 -6.969 1.00 43.34 C ATOM 72 C THR A 24 -12.763 -6.783 -7.479 1.00 22.22 C ATOM 73 O THR A 24 -13.010 -6.935 -8.676 1.00 21.34 O ATOM 74 CB THR A 24 -13.031 -4.304 -7.393 1.00 15.20 C ATOM 75 OG1 THR A 24 -12.252 -3.105 -7.462 1.00 3.25 O ATOM 76 CG2 THR A 24 -14.180 -4.113 -6.414 1.00 1.41 C ATOM 0 H THR A 24 -10.710 -4.944 -8.402 1.00 33.04 H new ATOM 0 HA THR A 24 -12.085 -5.520 -5.881 1.00 43.34 H new ATOM 0 HB THR A 24 -13.445 -4.524 -8.377 1.00 15.20 H new ATOM 0 HG1 THR A 24 -12.825 -2.358 -7.734 1.00 3.25 H new ATOM 0 HG21 THR A 24 -14.794 -3.271 -6.734 1.00 1.41 H new ATOM 0 HG22 THR A 24 -14.789 -5.017 -6.387 1.00 1.41 H new ATOM 0 HG23 THR A 24 -13.781 -3.914 -5.419 1.00 1.41 H new ATOM 84 N ILE A 25 -13.013 -7.714 -6.564 1.00 13.41 N ATOM 85 CA ILE A 25 -13.608 -8.996 -6.922 1.00 4.44 C ATOM 86 C ILE A 25 -15.117 -8.871 -7.100 1.00 61.12 C ATOM 87 O ILE A 25 -15.867 -8.854 -6.125 1.00 12.30 O ATOM 88 CB ILE A 25 -13.315 -10.069 -5.856 1.00 42.43 C ATOM 89 CG1 ILE A 25 -11.825 -10.080 -5.508 1.00 41.32 C ATOM 90 CG2 ILE A 25 -13.760 -11.438 -6.348 1.00 2.04 C ATOM 91 CD1 ILE A 25 -11.461 -11.089 -4.442 1.00 60.32 C ATOM 0 H ILE A 25 -12.813 -7.605 -5.570 1.00 13.41 H new ATOM 0 HA ILE A 25 -13.157 -9.301 -7.867 1.00 4.44 H new ATOM 0 HB ILE A 25 -13.877 -9.828 -4.954 1.00 42.43 H new ATOM 0 HG12 ILE A 25 -11.251 -10.293 -6.410 1.00 41.32 H new ATOM 0 HG13 ILE A 25 -11.532 -9.086 -5.171 1.00 41.32 H new ATOM 0 HG21 ILE A 25 -13.547 -12.186 -5.584 1.00 2.04 H new ATOM 0 HG22 ILE A 25 -14.831 -11.421 -6.551 1.00 2.04 H new ATOM 0 HG23 ILE A 25 -13.222 -11.689 -7.262 1.00 2.04 H new ATOM 0 HD11 ILE A 25 -10.390 -11.041 -4.246 1.00 60.32 H new ATOM 0 HD12 ILE A 25 -12.008 -10.864 -3.526 1.00 60.32 H new ATOM 0 HD13 ILE A 25 -11.723 -12.090 -4.784 1.00 60.32 H new ATOM 103 N GLN A 26 -15.554 -8.787 -8.353 1.00 10.45 N ATOM 104 CA GLN A 26 -16.974 -8.665 -8.659 1.00 35.13 C ATOM 105 C GLN A 26 -17.572 -10.021 -9.020 1.00 25.23 C ATOM 106 O GLN A 26 -16.861 -10.974 -9.341 1.00 21.02 O ATOM 107 CB GLN A 26 -17.187 -7.679 -9.808 1.00 54.42 C ATOM 108 CG GLN A 26 -17.156 -6.222 -9.374 1.00 22.13 C ATOM 109 CD GLN A 26 -18.533 -5.682 -9.043 1.00 51.22 C ATOM 110 OE1 GLN A 26 -19.227 -6.209 -8.173 1.00 51.23 O ATOM 111 NE2 GLN A 26 -18.937 -4.624 -9.738 1.00 23.25 N ATOM 0 H GLN A 26 -14.945 -8.801 -9.171 1.00 10.45 H new ATOM 0 HA GLN A 26 -17.480 -8.290 -7.769 1.00 35.13 H new ATOM 0 HB2 GLN A 26 -16.417 -7.841 -10.562 1.00 54.42 H new ATOM 0 HB3 GLN A 26 -18.146 -7.888 -10.282 1.00 54.42 H new ATOM 0 HG2 GLN A 26 -16.511 -6.121 -8.501 1.00 22.13 H new ATOM 0 HG3 GLN A 26 -16.715 -5.620 -10.168 1.00 22.13 H new ATOM 0 HE21 GLN A 26 -18.329 -4.219 -10.450 1.00 23.25 H new ATOM 0 HE22 GLN A 26 -19.855 -4.217 -9.559 1.00 23.25 H new ATOM 120 N PRO A 27 -18.909 -10.113 -8.966 1.00 44.21 N ATOM 121 CA PRO A 27 -19.631 -11.348 -9.284 1.00 62.23 C ATOM 122 C PRO A 27 -19.256 -11.902 -10.655 1.00 14.12 C ATOM 123 O PRO A 27 -19.770 -11.452 -11.678 1.00 63.03 O ATOM 124 CB PRO A 27 -21.099 -10.916 -9.265 1.00 50.42 C ATOM 125 CG PRO A 27 -21.128 -9.713 -8.387 1.00 12.31 C ATOM 126 CD PRO A 27 -19.818 -9.017 -8.591 1.00 74.33 C ATOM 0 HA PRO A 27 -19.399 -12.148 -8.581 1.00 62.23 H new ATOM 0 HB2 PRO A 27 -21.456 -10.683 -10.268 1.00 50.42 H new ATOM 0 HB3 PRO A 27 -21.739 -11.707 -8.874 1.00 50.42 H new ATOM 0 HG2 PRO A 27 -21.961 -9.060 -8.648 1.00 12.31 H new ATOM 0 HG3 PRO A 27 -21.260 -9.996 -7.343 1.00 12.31 H new ATOM 0 HD2 PRO A 27 -19.881 -8.261 -9.374 1.00 74.33 H new ATOM 0 HD3 PRO A 27 -19.486 -8.511 -7.685 1.00 74.33 H new ATOM 134 N GLY A 28 -18.358 -12.882 -10.667 1.00 21.11 N ATOM 135 CA GLY A 28 -17.931 -13.481 -11.918 1.00 24.33 C ATOM 136 C GLY A 28 -16.443 -13.771 -11.943 1.00 41.45 C ATOM 137 O GLY A 28 -15.979 -14.606 -12.720 1.00 54.12 O ATOM 0 H GLY A 28 -17.919 -13.272 -9.833 1.00 21.11 H new ATOM 0 HA2 GLY A 28 -18.482 -14.408 -12.080 1.00 24.33 H new ATOM 0 HA3 GLY A 28 -18.182 -12.813 -12.742 1.00 24.33 H new ATOM 141 N ASP A 29 -15.692 -13.078 -11.094 1.00 34.01 N ATOM 142 CA ASP A 29 -14.248 -13.264 -11.023 1.00 22.34 C ATOM 143 C ASP A 29 -13.885 -14.299 -9.962 1.00 71.32 C ATOM 144 O ASP A 29 -14.535 -14.392 -8.920 1.00 53.53 O ATOM 145 CB ASP A 29 -13.555 -11.936 -10.714 1.00 54.13 C ATOM 146 CG ASP A 29 -14.214 -10.763 -11.414 1.00 34.50 C ATOM 147 OD1 ASP A 29 -14.488 -10.874 -12.628 1.00 11.13 O ATOM 148 OD2 ASP A 29 -14.457 -9.736 -10.748 1.00 13.22 O ATOM 0 H ASP A 29 -16.060 -12.382 -10.445 1.00 34.01 H new ATOM 0 HA ASP A 29 -13.906 -13.627 -11.992 1.00 22.34 H new ATOM 0 HB2 ASP A 29 -13.566 -11.766 -9.637 1.00 54.13 H new ATOM 0 HB3 ASP A 29 -12.510 -11.996 -11.017 1.00 54.13 H new ATOM 153 N THR A 30 -12.843 -15.078 -10.235 1.00 23.23 N ATOM 154 CA THR A 30 -12.395 -16.108 -9.306 1.00 23.11 C ATOM 155 C THR A 30 -10.928 -15.915 -8.936 1.00 74.15 C ATOM 156 O THR A 30 -10.199 -15.185 -9.608 1.00 54.03 O ATOM 157 CB THR A 30 -12.582 -17.518 -9.897 1.00 50.04 C ATOM 158 OG1 THR A 30 -12.171 -17.532 -11.269 1.00 61.40 O ATOM 159 CG2 THR A 30 -14.034 -17.960 -9.793 1.00 41.02 C ATOM 0 H THR A 30 -12.294 -15.015 -11.092 1.00 23.23 H new ATOM 0 HA THR A 30 -13.009 -16.013 -8.410 1.00 23.11 H new ATOM 0 HB THR A 30 -11.966 -18.212 -9.326 1.00 50.04 H new ATOM 0 HG1 THR A 30 -12.291 -18.432 -11.637 1.00 61.40 H new ATOM 0 HG21 THR A 30 -14.142 -18.958 -10.217 1.00 41.02 H new ATOM 0 HG22 THR A 30 -14.335 -17.976 -8.746 1.00 41.02 H new ATOM 0 HG23 THR A 30 -14.667 -17.263 -10.342 1.00 41.02 H new ATOM 167 N PHE A 31 -10.501 -16.575 -7.865 1.00 13.43 N ATOM 168 CA PHE A 31 -9.121 -16.475 -7.406 1.00 23.13 C ATOM 169 C PHE A 31 -8.148 -16.821 -8.529 1.00 42.43 C ATOM 170 O PHE A 31 -7.313 -16.002 -8.915 1.00 71.21 O ATOM 171 CB PHE A 31 -8.890 -17.404 -6.212 1.00 64.11 C ATOM 172 CG PHE A 31 -9.176 -16.759 -4.886 1.00 61.12 C ATOM 173 CD1 PHE A 31 -8.553 -15.575 -4.528 1.00 44.42 C ATOM 174 CD2 PHE A 31 -10.068 -17.338 -3.998 1.00 2.44 C ATOM 175 CE1 PHE A 31 -8.814 -14.978 -3.309 1.00 20.11 C ATOM 176 CE2 PHE A 31 -10.334 -16.746 -2.777 1.00 45.44 C ATOM 177 CZ PHE A 31 -9.705 -15.565 -2.432 1.00 61.20 C ATOM 0 H PHE A 31 -11.091 -17.185 -7.299 1.00 13.43 H new ATOM 0 HA PHE A 31 -8.941 -15.445 -7.097 1.00 23.13 H new ATOM 0 HB2 PHE A 31 -9.521 -18.286 -6.321 1.00 64.11 H new ATOM 0 HB3 PHE A 31 -7.856 -17.748 -6.224 1.00 64.11 H new ATOM 0 HD1 PHE A 31 -7.855 -15.112 -5.210 1.00 44.42 H new ATOM 0 HD2 PHE A 31 -10.561 -18.262 -4.262 1.00 2.44 H new ATOM 0 HE1 PHE A 31 -8.322 -14.054 -3.043 1.00 20.11 H new ATOM 0 HE2 PHE A 31 -11.033 -17.206 -2.094 1.00 45.44 H new ATOM 0 HZ PHE A 31 -9.910 -15.102 -1.478 1.00 61.20 H new ATOM 187 N TRP A 32 -8.262 -18.037 -9.049 1.00 22.43 N ATOM 188 CA TRP A 32 -7.392 -18.492 -10.128 1.00 31.23 C ATOM 189 C TRP A 32 -7.391 -17.496 -11.282 1.00 62.42 C ATOM 190 O TRP A 32 -6.334 -17.114 -11.782 1.00 44.44 O ATOM 191 CB TRP A 32 -7.839 -19.868 -10.625 1.00 41.10 C ATOM 192 CG TRP A 32 -6.782 -20.590 -11.405 1.00 40.41 C ATOM 193 CD1 TRP A 32 -5.488 -20.806 -11.026 1.00 61.12 C ATOM 194 CD2 TRP A 32 -6.929 -21.187 -12.698 1.00 30.53 C ATOM 195 NE1 TRP A 32 -4.822 -21.503 -12.005 1.00 45.55 N ATOM 196 CE2 TRP A 32 -5.684 -21.749 -13.041 1.00 23.41 C ATOM 197 CE3 TRP A 32 -7.992 -21.305 -13.598 1.00 3.34 C ATOM 198 CZ2 TRP A 32 -5.475 -22.416 -14.245 1.00 42.03 C ATOM 199 CZ3 TRP A 32 -7.783 -21.966 -14.793 1.00 25.34 C ATOM 200 CH2 TRP A 32 -6.533 -22.516 -15.108 1.00 4.24 C ATOM 0 H TRP A 32 -8.948 -18.726 -8.741 1.00 22.43 H new ATOM 0 HA TRP A 32 -6.377 -18.567 -9.737 1.00 31.23 H new ATOM 0 HB2 TRP A 32 -8.130 -20.478 -9.770 1.00 41.10 H new ATOM 0 HB3 TRP A 32 -8.725 -19.751 -11.249 1.00 41.10 H new ATOM 0 HD1 TRP A 32 -5.052 -20.477 -10.094 1.00 61.12 H new ATOM 0 HE1 TRP A 32 -3.844 -21.791 -11.967 1.00 45.55 H new ATOM 0 HE3 TRP A 32 -8.960 -20.887 -13.363 1.00 3.34 H new ATOM 0 HZ2 TRP A 32 -4.512 -22.840 -14.490 1.00 42.03 H new ATOM 0 HZ3 TRP A 32 -8.597 -22.061 -15.497 1.00 25.34 H new ATOM 0 HH2 TRP A 32 -6.402 -23.029 -16.050 1.00 4.24 H new ATOM 211 N ALA A 33 -8.582 -17.080 -11.701 1.00 24.44 N ATOM 212 CA ALA A 33 -8.717 -16.127 -12.795 1.00 24.00 C ATOM 213 C ALA A 33 -7.854 -14.893 -12.557 1.00 44.42 C ATOM 214 O ALA A 33 -6.965 -14.582 -13.352 1.00 34.53 O ATOM 215 CB ALA A 33 -10.174 -15.728 -12.971 1.00 34.42 C ATOM 0 H ALA A 33 -9.467 -17.388 -11.299 1.00 24.44 H new ATOM 0 HA ALA A 33 -8.371 -16.610 -13.709 1.00 24.00 H new ATOM 0 HB1 ALA A 33 -10.260 -15.016 -13.792 1.00 34.42 H new ATOM 0 HB2 ALA A 33 -10.769 -16.613 -13.195 1.00 34.42 H new ATOM 0 HB3 ALA A 33 -10.539 -15.269 -12.052 1.00 34.42 H new ATOM 221 N ILE A 34 -8.121 -14.192 -11.460 1.00 42.14 N ATOM 222 CA ILE A 34 -7.368 -12.991 -11.119 1.00 22.50 C ATOM 223 C ILE A 34 -5.867 -13.264 -11.122 1.00 75.21 C ATOM 224 O ILE A 34 -5.082 -12.465 -11.631 1.00 31.11 O ATOM 225 CB ILE A 34 -7.776 -12.445 -9.738 1.00 41.42 C ATOM 226 CG1 ILE A 34 -9.273 -12.129 -9.713 1.00 2.04 C ATOM 227 CG2 ILE A 34 -6.962 -11.205 -9.398 1.00 22.33 C ATOM 228 CD1 ILE A 34 -9.841 -12.010 -8.316 1.00 34.41 C ATOM 0 H ILE A 34 -8.853 -14.435 -10.792 1.00 42.14 H new ATOM 0 HA ILE A 34 -7.601 -12.245 -11.879 1.00 22.50 H new ATOM 0 HB ILE A 34 -7.572 -13.208 -8.987 1.00 41.42 H new ATOM 0 HG12 ILE A 34 -9.448 -11.196 -10.249 1.00 2.04 H new ATOM 0 HG13 ILE A 34 -9.810 -12.911 -10.250 1.00 2.04 H new ATOM 0 HG21 ILE A 34 -7.261 -10.830 -8.419 1.00 22.33 H new ATOM 0 HG22 ILE A 34 -5.902 -11.459 -9.381 1.00 22.33 H new ATOM 0 HG23 ILE A 34 -7.139 -10.436 -10.150 1.00 22.33 H new ATOM 0 HD11 ILE A 34 -10.906 -11.785 -8.374 1.00 34.41 H new ATOM 0 HD12 ILE A 34 -9.697 -12.950 -7.783 1.00 34.41 H new ATOM 0 HD13 ILE A 34 -9.330 -11.209 -7.782 1.00 34.41 H new ATOM 240 N ALA A 35 -5.477 -14.399 -10.552 1.00 22.40 N ATOM 241 CA ALA A 35 -4.071 -14.780 -10.492 1.00 70.04 C ATOM 242 C ALA A 35 -3.441 -14.771 -11.881 1.00 24.51 C ATOM 243 O ALA A 35 -2.489 -14.034 -12.135 1.00 25.31 O ATOM 244 CB ALA A 35 -3.922 -16.152 -9.852 1.00 14.04 C ATOM 0 H ALA A 35 -6.115 -15.071 -10.125 1.00 22.40 H new ATOM 0 HA ALA A 35 -3.547 -14.047 -9.878 1.00 70.04 H new ATOM 0 HB1 ALA A 35 -2.867 -16.423 -9.814 1.00 14.04 H new ATOM 0 HB2 ALA A 35 -4.327 -16.127 -8.840 1.00 14.04 H new ATOM 0 HB3 ALA A 35 -4.465 -16.890 -10.442 1.00 14.04 H new ATOM 250 N GLN A 36 -3.978 -15.596 -12.775 1.00 4.34 N ATOM 251 CA GLN A 36 -3.465 -15.683 -14.137 1.00 75.10 C ATOM 252 C GLN A 36 -3.457 -14.312 -14.804 1.00 51.34 C ATOM 253 O GLN A 36 -2.663 -14.056 -15.710 1.00 33.30 O ATOM 254 CB GLN A 36 -4.309 -16.659 -14.960 1.00 2.32 C ATOM 255 CG GLN A 36 -4.429 -18.038 -14.332 1.00 13.11 C ATOM 256 CD GLN A 36 -5.368 -18.948 -15.099 1.00 33.13 C ATOM 257 OE1 GLN A 36 -4.935 -19.754 -15.923 1.00 20.25 O ATOM 258 NE2 GLN A 36 -6.663 -18.824 -14.831 1.00 70.31 N ATOM 0 H GLN A 36 -4.767 -16.213 -12.581 1.00 4.34 H new ATOM 0 HA GLN A 36 -2.440 -16.050 -14.090 1.00 75.10 H new ATOM 0 HB2 GLN A 36 -5.307 -16.241 -15.093 1.00 2.32 H new ATOM 0 HB3 GLN A 36 -3.870 -16.758 -15.953 1.00 2.32 H new ATOM 0 HG2 GLN A 36 -3.442 -18.498 -14.283 1.00 13.11 H new ATOM 0 HG3 GLN A 36 -4.784 -17.937 -13.307 1.00 13.11 H new ATOM 0 HE21 GLN A 36 -6.978 -18.143 -14.140 1.00 70.31 H new ATOM 0 HE22 GLN A 36 -7.343 -19.410 -15.316 1.00 70.31 H new ATOM 267 N ARG A 37 -4.345 -13.433 -14.351 1.00 75.23 N ATOM 268 CA ARG A 37 -4.441 -12.088 -14.906 1.00 33.31 C ATOM 269 C ARG A 37 -3.371 -11.178 -14.311 1.00 40.44 C ATOM 270 O ARG A 37 -2.923 -10.228 -14.954 1.00 12.20 O ATOM 271 CB ARG A 37 -5.829 -11.502 -14.641 1.00 73.22 C ATOM 272 CG ARG A 37 -6.244 -10.441 -15.647 1.00 0.53 C ATOM 273 CD ARG A 37 -6.582 -11.054 -16.997 1.00 12.44 C ATOM 274 NE ARG A 37 -6.418 -10.098 -18.088 1.00 53.45 N ATOM 275 CZ ARG A 37 -6.753 -10.356 -19.348 1.00 2.12 C ATOM 276 NH1 ARG A 37 -7.267 -11.534 -19.672 1.00 71.13 N ATOM 277 NH2 ARG A 37 -6.574 -9.434 -20.286 1.00 25.45 N ATOM 0 H ARG A 37 -5.008 -13.628 -13.601 1.00 75.23 H new ATOM 0 HA ARG A 37 -4.281 -12.153 -15.982 1.00 33.31 H new ATOM 0 HB2 ARG A 37 -6.563 -12.308 -14.652 1.00 73.22 H new ATOM 0 HB3 ARG A 37 -5.846 -11.069 -13.641 1.00 73.22 H new ATOM 0 HG2 ARG A 37 -7.108 -9.896 -15.267 1.00 0.53 H new ATOM 0 HG3 ARG A 37 -5.438 -9.717 -15.767 1.00 0.53 H new ATOM 0 HD2 ARG A 37 -5.942 -11.918 -17.173 1.00 12.44 H new ATOM 0 HD3 ARG A 37 -7.610 -11.416 -16.984 1.00 12.44 H new ATOM 0 HE ARG A 37 -6.025 -9.182 -17.871 1.00 53.45 H new ATOM 0 HH11 ARG A 37 -7.406 -12.245 -18.954 1.00 71.13 H new ATOM 0 HH12 ARG A 37 -7.523 -11.730 -20.640 1.00 71.13 H new ATOM 0 HH21 ARG A 37 -6.179 -8.526 -20.040 1.00 25.45 H new ATOM 0 HH22 ARG A 37 -6.831 -9.633 -21.253 1.00 25.45 H new ATOM 291 N ARG A 38 -2.966 -11.474 -13.081 1.00 31.03 N ATOM 292 CA ARG A 38 -1.950 -10.681 -12.399 1.00 30.30 C ATOM 293 C ARG A 38 -0.582 -11.349 -12.499 1.00 44.15 C ATOM 294 O ARG A 38 0.293 -11.124 -11.664 1.00 31.11 O ATOM 295 CB ARG A 38 -2.327 -10.485 -10.929 1.00 60.14 C ATOM 296 CG ARG A 38 -3.693 -9.848 -10.731 1.00 23.33 C ATOM 297 CD ARG A 38 -3.590 -8.336 -10.613 1.00 12.35 C ATOM 298 NE ARG A 38 -3.501 -7.689 -11.919 1.00 64.41 N ATOM 299 CZ ARG A 38 -4.530 -7.565 -12.750 1.00 1.14 C ATOM 300 NH1 ARG A 38 -5.721 -8.040 -12.411 1.00 5.33 N ATOM 301 NH2 ARG A 38 -4.369 -6.964 -13.922 1.00 13.04 N ATOM 0 H ARG A 38 -3.326 -12.257 -12.536 1.00 31.03 H new ATOM 0 HA ARG A 38 -1.897 -9.708 -12.886 1.00 30.30 H new ATOM 0 HB2 ARG A 38 -2.310 -11.452 -10.426 1.00 60.14 H new ATOM 0 HB3 ARG A 38 -1.572 -9.863 -10.449 1.00 60.14 H new ATOM 0 HG2 ARG A 38 -4.341 -10.105 -11.569 1.00 23.33 H new ATOM 0 HG3 ARG A 38 -4.158 -10.253 -9.832 1.00 23.33 H new ATOM 0 HD2 ARG A 38 -4.460 -7.954 -10.078 1.00 12.35 H new ATOM 0 HD3 ARG A 38 -2.712 -8.078 -10.020 1.00 12.35 H new ATOM 0 HE ARG A 38 -2.599 -7.311 -12.209 1.00 64.41 H new ATOM 0 HH11 ARG A 38 -5.848 -8.502 -11.510 1.00 5.33 H new ATOM 0 HH12 ARG A 38 -6.510 -7.944 -13.051 1.00 5.33 H new ATOM 0 HH21 ARG A 38 -3.455 -6.597 -14.185 1.00 13.04 H new ATOM 0 HH22 ARG A 38 -5.160 -6.869 -14.559 1.00 13.04 H new ATOM 315 N GLY A 39 -0.404 -12.172 -13.529 1.00 13.23 N ATOM 316 CA GLY A 39 0.859 -12.860 -13.719 1.00 42.12 C ATOM 317 C GLY A 39 1.308 -13.602 -12.476 1.00 44.11 C ATOM 318 O GLY A 39 2.505 -13.794 -12.256 1.00 72.42 O ATOM 0 H GLY A 39 -1.112 -12.374 -14.235 1.00 13.23 H new ATOM 0 HA2 GLY A 39 0.764 -13.565 -14.545 1.00 42.12 H new ATOM 0 HA3 GLY A 39 1.624 -12.137 -14.003 1.00 42.12 H new ATOM 322 N THR A 40 0.347 -14.019 -11.658 1.00 61.40 N ATOM 323 CA THR A 40 0.650 -14.742 -10.429 1.00 12.31 C ATOM 324 C THR A 40 -0.307 -15.912 -10.229 1.00 43.30 C ATOM 325 O THR A 40 -1.160 -16.182 -11.075 1.00 13.42 O ATOM 326 CB THR A 40 0.574 -13.816 -9.200 1.00 42.11 C ATOM 327 OG1 THR A 40 1.168 -14.458 -8.066 1.00 14.31 O ATOM 328 CG2 THR A 40 -0.869 -13.451 -8.885 1.00 63.14 C ATOM 0 H THR A 40 -0.648 -13.868 -11.824 1.00 61.40 H new ATOM 0 HA THR A 40 1.667 -15.121 -10.528 1.00 12.31 H new ATOM 0 HB THR A 40 1.121 -12.901 -9.427 1.00 42.11 H new ATOM 0 HG1 THR A 40 2.051 -14.804 -8.312 1.00 14.31 H new ATOM 0 HG21 THR A 40 -0.897 -12.797 -8.014 1.00 63.14 H new ATOM 0 HG22 THR A 40 -1.309 -12.936 -9.739 1.00 63.14 H new ATOM 0 HG23 THR A 40 -1.436 -14.358 -8.676 1.00 63.14 H new ATOM 336 N THR A 41 -0.160 -16.605 -9.104 1.00 1.20 N ATOM 337 CA THR A 41 -1.011 -17.747 -8.793 1.00 45.41 C ATOM 338 C THR A 41 -1.879 -17.469 -7.571 1.00 43.13 C ATOM 339 O THR A 41 -1.682 -16.476 -6.870 1.00 21.51 O ATOM 340 CB THR A 41 -0.176 -19.016 -8.538 1.00 40.10 C ATOM 341 OG1 THR A 41 0.701 -18.810 -7.425 1.00 43.02 O ATOM 342 CG2 THR A 41 0.637 -19.386 -9.770 1.00 11.45 C ATOM 0 H THR A 41 0.541 -16.395 -8.393 1.00 1.20 H new ATOM 0 HA THR A 41 -1.651 -17.910 -9.660 1.00 45.41 H new ATOM 0 HB THR A 41 -0.860 -19.835 -8.314 1.00 40.10 H new ATOM 0 HG1 THR A 41 0.592 -19.542 -6.783 1.00 43.02 H new ATOM 0 HG21 THR A 41 1.218 -20.285 -9.566 1.00 11.45 H new ATOM 0 HG22 THR A 41 -0.036 -19.571 -10.608 1.00 11.45 H new ATOM 0 HG23 THR A 41 1.311 -18.567 -10.020 1.00 11.45 H new ATOM 350 N VAL A 42 -2.840 -18.352 -7.321 1.00 71.21 N ATOM 351 CA VAL A 42 -3.738 -18.203 -6.182 1.00 1.10 C ATOM 352 C VAL A 42 -2.956 -18.061 -4.881 1.00 0.20 C ATOM 353 O VAL A 42 -3.372 -17.345 -3.970 1.00 4.41 O ATOM 354 CB VAL A 42 -4.698 -19.402 -6.063 1.00 2.50 C ATOM 355 CG1 VAL A 42 -3.918 -20.692 -5.861 1.00 13.00 C ATOM 356 CG2 VAL A 42 -5.685 -19.182 -4.927 1.00 13.01 C ATOM 0 H VAL A 42 -3.017 -19.178 -7.892 1.00 71.21 H new ATOM 0 HA VAL A 42 -4.320 -17.297 -6.354 1.00 1.10 H new ATOM 0 HB VAL A 42 -5.262 -19.489 -6.992 1.00 2.50 H new ATOM 0 HG11 VAL A 42 -4.613 -21.528 -5.779 1.00 13.00 H new ATOM 0 HG12 VAL A 42 -3.255 -20.853 -6.711 1.00 13.00 H new ATOM 0 HG13 VAL A 42 -3.327 -20.621 -4.948 1.00 13.00 H new ATOM 0 HG21 VAL A 42 -6.356 -20.038 -4.857 1.00 13.01 H new ATOM 0 HG22 VAL A 42 -5.141 -19.069 -3.989 1.00 13.01 H new ATOM 0 HG23 VAL A 42 -6.267 -18.280 -5.120 1.00 13.01 H new ATOM 366 N ASP A 43 -1.822 -18.747 -4.801 1.00 65.32 N ATOM 367 CA ASP A 43 -0.979 -18.697 -3.612 1.00 13.13 C ATOM 368 C ASP A 43 -0.684 -17.254 -3.216 1.00 12.53 C ATOM 369 O ASP A 43 -0.762 -16.893 -2.041 1.00 53.43 O ATOM 370 CB ASP A 43 0.330 -19.450 -3.855 1.00 54.22 C ATOM 371 CG ASP A 43 0.101 -20.857 -4.369 1.00 73.54 C ATOM 372 OD1 ASP A 43 0.205 -21.066 -5.597 1.00 1.44 O ATOM 373 OD2 ASP A 43 -0.182 -21.751 -3.545 1.00 21.24 O ATOM 0 H ASP A 43 -1.465 -19.345 -5.546 1.00 65.32 H new ATOM 0 HA ASP A 43 -1.518 -19.177 -2.795 1.00 13.13 H new ATOM 0 HB2 ASP A 43 0.935 -18.898 -4.574 1.00 54.22 H new ATOM 0 HB3 ASP A 43 0.899 -19.494 -2.926 1.00 54.22 H new ATOM 378 N VAL A 44 -0.344 -16.432 -4.204 1.00 3.14 N ATOM 379 CA VAL A 44 -0.037 -15.028 -3.959 1.00 4.23 C ATOM 380 C VAL A 44 -1.311 -14.201 -3.830 1.00 0.11 C ATOM 381 O VAL A 44 -1.425 -13.352 -2.945 1.00 52.24 O ATOM 382 CB VAL A 44 0.833 -14.439 -5.085 1.00 51.42 C ATOM 383 CG1 VAL A 44 1.314 -13.044 -4.715 1.00 10.12 C ATOM 384 CG2 VAL A 44 2.009 -15.355 -5.385 1.00 23.45 C ATOM 0 H VAL A 44 -0.274 -16.714 -5.182 1.00 3.14 H new ATOM 0 HA VAL A 44 0.517 -14.984 -3.021 1.00 4.23 H new ATOM 0 HB VAL A 44 0.225 -14.360 -5.986 1.00 51.42 H new ATOM 0 HG11 VAL A 44 1.927 -12.644 -5.523 1.00 10.12 H new ATOM 0 HG12 VAL A 44 0.454 -12.393 -4.556 1.00 10.12 H new ATOM 0 HG13 VAL A 44 1.906 -13.094 -3.801 1.00 10.12 H new ATOM 0 HG21 VAL A 44 2.613 -14.923 -6.183 1.00 23.45 H new ATOM 0 HG22 VAL A 44 2.620 -15.469 -4.489 1.00 23.45 H new ATOM 0 HG23 VAL A 44 1.639 -16.331 -5.698 1.00 23.45 H new ATOM 394 N ILE A 45 -2.267 -14.455 -4.717 1.00 63.13 N ATOM 395 CA ILE A 45 -3.534 -13.735 -4.702 1.00 30.24 C ATOM 396 C ILE A 45 -4.218 -13.856 -3.344 1.00 51.11 C ATOM 397 O ILE A 45 -4.994 -12.986 -2.951 1.00 15.15 O ATOM 398 CB ILE A 45 -4.489 -14.253 -5.793 1.00 72.11 C ATOM 399 CG1 ILE A 45 -3.865 -14.069 -7.178 1.00 4.54 C ATOM 400 CG2 ILE A 45 -5.828 -13.535 -5.710 1.00 2.21 C ATOM 401 CD1 ILE A 45 -3.655 -12.619 -7.558 1.00 31.43 C ATOM 0 H ILE A 45 -2.188 -15.154 -5.455 1.00 63.13 H new ATOM 0 HA ILE A 45 -3.305 -12.688 -4.899 1.00 30.24 H new ATOM 0 HB ILE A 45 -4.659 -15.317 -5.630 1.00 72.11 H new ATOM 0 HG12 ILE A 45 -2.906 -14.587 -7.207 1.00 4.54 H new ATOM 0 HG13 ILE A 45 -4.506 -14.542 -7.922 1.00 4.54 H new ATOM 0 HG21 ILE A 45 -6.492 -13.912 -6.488 1.00 2.21 H new ATOM 0 HG22 ILE A 45 -6.276 -13.713 -4.732 1.00 2.21 H new ATOM 0 HG23 ILE A 45 -5.676 -12.465 -5.850 1.00 2.21 H new ATOM 0 HD11 ILE A 45 -3.210 -12.564 -8.551 1.00 31.43 H new ATOM 0 HD12 ILE A 45 -4.614 -12.101 -7.561 1.00 31.43 H new ATOM 0 HD13 ILE A 45 -2.990 -12.146 -6.835 1.00 31.43 H new ATOM 413 N GLN A 46 -3.923 -14.939 -2.633 1.00 24.10 N ATOM 414 CA GLN A 46 -4.509 -15.173 -1.318 1.00 43.44 C ATOM 415 C GLN A 46 -3.547 -14.753 -0.211 1.00 71.34 C ATOM 416 O GLN A 46 -3.952 -14.142 0.777 1.00 0.04 O ATOM 417 CB GLN A 46 -4.879 -16.648 -1.157 1.00 13.24 C ATOM 418 CG GLN A 46 -6.224 -17.008 -1.768 1.00 64.01 C ATOM 419 CD GLN A 46 -6.956 -18.076 -0.980 1.00 63.42 C ATOM 420 OE1 GLN A 46 -8.155 -17.963 -0.724 1.00 61.34 O ATOM 421 NE2 GLN A 46 -6.236 -19.122 -0.591 1.00 33.35 N ATOM 0 H GLN A 46 -3.282 -15.668 -2.945 1.00 24.10 H new ATOM 0 HA GLN A 46 -5.412 -14.569 -1.237 1.00 43.44 H new ATOM 0 HB2 GLN A 46 -4.104 -17.261 -1.618 1.00 13.24 H new ATOM 0 HB3 GLN A 46 -4.893 -16.897 -0.096 1.00 13.24 H new ATOM 0 HG2 GLN A 46 -6.845 -16.114 -1.824 1.00 64.01 H new ATOM 0 HG3 GLN A 46 -6.073 -17.355 -2.790 1.00 64.01 H new ATOM 0 HE21 GLN A 46 -5.245 -19.174 -0.825 1.00 33.35 H new ATOM 0 HE22 GLN A 46 -6.674 -19.873 -0.058 1.00 33.35 H new ATOM 430 N SER A 47 -2.272 -15.086 -0.384 1.00 60.43 N ATOM 431 CA SER A 47 -1.253 -14.748 0.602 1.00 20.04 C ATOM 432 C SER A 47 -1.281 -13.257 0.922 1.00 4.53 C ATOM 433 O SER A 47 -1.186 -12.857 2.083 1.00 3.35 O ATOM 434 CB SER A 47 0.133 -15.146 0.092 1.00 23.11 C ATOM 435 OG SER A 47 1.151 -14.428 0.768 1.00 61.20 O ATOM 0 H SER A 47 -1.920 -15.590 -1.198 1.00 60.43 H new ATOM 0 HA SER A 47 -1.468 -15.302 1.515 1.00 20.04 H new ATOM 0 HB2 SER A 47 0.283 -16.216 0.234 1.00 23.11 H new ATOM 0 HB3 SER A 47 0.199 -14.955 -0.979 1.00 23.11 H new ATOM 0 HG SER A 47 2.027 -14.702 0.425 1.00 61.20 H new ATOM 441 N LEU A 48 -1.411 -12.438 -0.116 1.00 12.24 N ATOM 442 CA LEU A 48 -1.452 -10.989 0.053 1.00 64.32 C ATOM 443 C LEU A 48 -2.678 -10.569 0.857 1.00 43.43 C ATOM 444 O LEU A 48 -2.683 -9.517 1.495 1.00 44.11 O ATOM 445 CB LEU A 48 -1.460 -10.297 -1.311 1.00 71.55 C ATOM 446 CG LEU A 48 -0.100 -10.139 -1.992 1.00 72.43 C ATOM 447 CD1 LEU A 48 -0.270 -9.999 -3.497 1.00 43.31 C ATOM 448 CD2 LEU A 48 0.645 -8.941 -1.423 1.00 40.34 C ATOM 0 H LEU A 48 -1.490 -12.752 -1.083 1.00 12.24 H new ATOM 0 HA LEU A 48 -0.560 -10.686 0.602 1.00 64.32 H new ATOM 0 HB2 LEU A 48 -2.114 -10.859 -1.977 1.00 71.55 H new ATOM 0 HB3 LEU A 48 -1.901 -9.307 -1.191 1.00 71.55 H new ATOM 0 HG LEU A 48 0.490 -11.034 -1.796 1.00 72.43 H new ATOM 0 HD11 LEU A 48 0.708 -9.888 -3.965 1.00 43.31 H new ATOM 0 HD12 LEU A 48 -0.762 -10.888 -3.892 1.00 43.31 H new ATOM 0 HD13 LEU A 48 -0.878 -9.121 -3.714 1.00 43.31 H new ATOM 0 HD21 LEU A 48 1.611 -8.844 -1.919 1.00 40.34 H new ATOM 0 HD22 LEU A 48 0.060 -8.037 -1.588 1.00 40.34 H new ATOM 0 HD23 LEU A 48 0.799 -9.083 -0.353 1.00 40.34 H new ATOM 460 N ASN A 49 -3.715 -11.399 0.822 1.00 10.22 N ATOM 461 CA ASN A 49 -4.947 -11.114 1.549 1.00 2.41 C ATOM 462 C ASN A 49 -5.225 -12.191 2.592 1.00 23.54 C ATOM 463 O ASN A 49 -6.119 -13.024 2.438 1.00 3.14 O ATOM 464 CB ASN A 49 -6.125 -11.012 0.578 1.00 62.20 C ATOM 465 CG ASN A 49 -5.890 -9.983 -0.511 1.00 25.21 C ATOM 466 OD1 ASN A 49 -6.118 -8.790 -0.312 1.00 41.14 O ATOM 467 ND2 ASN A 49 -5.431 -10.442 -1.669 1.00 62.34 N ATOM 0 H ASN A 49 -3.727 -12.274 0.298 1.00 10.22 H new ATOM 0 HA ASN A 49 -4.824 -10.160 2.062 1.00 2.41 H new ATOM 0 HB2 ASN A 49 -6.301 -11.986 0.122 1.00 62.20 H new ATOM 0 HB3 ASN A 49 -7.027 -10.751 1.132 1.00 62.20 H new ATOM 0 HD21 ASN A 49 -5.253 -9.797 -2.439 1.00 62.34 H new ATOM 0 HD22 ASN A 49 -5.256 -11.440 -1.789 1.00 62.34 H new ATOM 474 N PRO A 50 -4.441 -12.177 3.681 1.00 34.11 N ATOM 475 CA PRO A 50 -4.584 -13.146 4.772 1.00 14.42 C ATOM 476 C PRO A 50 -5.866 -12.934 5.571 1.00 2.21 C ATOM 477 O PRO A 50 -6.334 -13.837 6.263 1.00 3.34 O ATOM 478 CB PRO A 50 -3.358 -12.877 5.648 1.00 62.43 C ATOM 479 CG PRO A 50 -2.998 -11.459 5.371 1.00 42.41 C ATOM 480 CD PRO A 50 -3.356 -11.214 3.931 1.00 10.21 C ATOM 0 HA PRO A 50 -4.645 -14.170 4.403 1.00 14.42 H new ATOM 0 HB2 PRO A 50 -3.585 -13.029 6.703 1.00 62.43 H new ATOM 0 HB3 PRO A 50 -2.538 -13.550 5.398 1.00 62.43 H new ATOM 0 HG2 PRO A 50 -3.543 -10.782 6.029 1.00 42.41 H new ATOM 0 HG3 PRO A 50 -1.936 -11.285 5.544 1.00 42.41 H new ATOM 0 HD2 PRO A 50 -3.684 -10.188 3.768 1.00 10.21 H new ATOM 0 HD3 PRO A 50 -2.506 -11.386 3.271 1.00 10.21 H new ATOM 488 N GLY A 51 -6.430 -11.734 5.470 1.00 43.22 N ATOM 489 CA GLY A 51 -7.652 -11.426 6.188 1.00 13.42 C ATOM 490 C GLY A 51 -8.834 -12.237 5.696 1.00 53.22 C ATOM 491 O GLY A 51 -9.761 -12.521 6.455 1.00 52.34 O ATOM 0 H GLY A 51 -6.062 -10.970 4.903 1.00 43.22 H new ATOM 0 HA2 GLY A 51 -7.503 -11.615 7.251 1.00 13.42 H new ATOM 0 HA3 GLY A 51 -7.874 -10.364 6.082 1.00 13.42 H new ATOM 495 N VAL A 52 -8.804 -12.610 4.420 1.00 22.13 N ATOM 496 CA VAL A 52 -9.881 -13.393 3.827 1.00 51.02 C ATOM 497 C VAL A 52 -9.457 -14.843 3.620 1.00 53.32 C ATOM 498 O VAL A 52 -8.277 -15.176 3.721 1.00 65.25 O ATOM 499 CB VAL A 52 -10.326 -12.802 2.476 1.00 51.20 C ATOM 500 CG1 VAL A 52 -11.086 -11.501 2.687 1.00 44.15 C ATOM 501 CG2 VAL A 52 -9.125 -12.587 1.568 1.00 51.45 C ATOM 0 H VAL A 52 -8.045 -12.382 3.778 1.00 22.13 H new ATOM 0 HA VAL A 52 -10.718 -13.358 4.524 1.00 51.02 H new ATOM 0 HB VAL A 52 -10.996 -13.512 1.991 1.00 51.20 H new ATOM 0 HG11 VAL A 52 -11.392 -11.098 1.722 1.00 44.15 H new ATOM 0 HG12 VAL A 52 -11.969 -11.690 3.298 1.00 44.15 H new ATOM 0 HG13 VAL A 52 -10.442 -10.781 3.193 1.00 44.15 H new ATOM 0 HG21 VAL A 52 -9.457 -12.169 0.618 1.00 51.45 H new ATOM 0 HG22 VAL A 52 -8.428 -11.897 2.044 1.00 51.45 H new ATOM 0 HG23 VAL A 52 -8.628 -13.541 1.391 1.00 51.45 H new ATOM 511 N VAL A 53 -10.429 -15.702 3.329 1.00 11.11 N ATOM 512 CA VAL A 53 -10.157 -17.117 3.106 1.00 51.21 C ATOM 513 C VAL A 53 -10.990 -17.661 1.951 1.00 41.14 C ATOM 514 O VAL A 53 -12.046 -17.128 1.609 1.00 20.21 O ATOM 515 CB VAL A 53 -10.445 -17.950 4.369 1.00 52.10 C ATOM 516 CG1 VAL A 53 -9.316 -17.799 5.377 1.00 34.13 C ATOM 517 CG2 VAL A 53 -11.777 -17.544 4.982 1.00 2.32 C ATOM 0 H VAL A 53 -11.412 -15.443 3.242 1.00 11.11 H new ATOM 0 HA VAL A 53 -9.099 -17.201 2.858 1.00 51.21 H new ATOM 0 HB VAL A 53 -10.507 -19.000 4.085 1.00 52.10 H new ATOM 0 HG11 VAL A 53 -9.537 -18.395 6.263 1.00 34.13 H new ATOM 0 HG12 VAL A 53 -8.382 -18.143 4.932 1.00 34.13 H new ATOM 0 HG13 VAL A 53 -9.218 -16.751 5.660 1.00 34.13 H new ATOM 0 HG21 VAL A 53 -11.965 -18.142 5.873 1.00 2.32 H new ATOM 0 HG22 VAL A 53 -11.746 -16.489 5.253 1.00 2.32 H new ATOM 0 HG23 VAL A 53 -12.576 -17.709 4.259 1.00 2.32 H new ATOM 527 N PRO A 54 -10.506 -18.749 1.333 1.00 4.40 N ATOM 528 CA PRO A 54 -11.190 -19.390 0.207 1.00 72.13 C ATOM 529 C PRO A 54 -12.479 -20.085 0.632 1.00 53.04 C ATOM 530 O PRO A 54 -13.331 -20.401 -0.200 1.00 44.25 O ATOM 531 CB PRO A 54 -10.169 -20.416 -0.292 1.00 10.34 C ATOM 532 CG PRO A 54 -9.321 -20.713 0.896 1.00 23.53 C ATOM 533 CD PRO A 54 -9.253 -19.436 1.687 1.00 25.31 C ATOM 0 HA PRO A 54 -11.493 -18.667 -0.550 1.00 72.13 H new ATOM 0 HB2 PRO A 54 -10.660 -21.316 -0.663 1.00 10.34 H new ATOM 0 HB3 PRO A 54 -9.574 -20.016 -1.113 1.00 10.34 H new ATOM 0 HG2 PRO A 54 -9.752 -21.518 1.491 1.00 23.53 H new ATOM 0 HG3 PRO A 54 -8.326 -21.038 0.593 1.00 23.53 H new ATOM 0 HD2 PRO A 54 -9.189 -19.629 2.758 1.00 25.31 H new ATOM 0 HD3 PRO A 54 -8.379 -18.842 1.418 1.00 25.31 H new ATOM 541 N THR A 55 -12.618 -20.321 1.933 1.00 52.34 N ATOM 542 CA THR A 55 -13.803 -20.979 2.468 1.00 53.21 C ATOM 543 C THR A 55 -14.953 -19.992 2.632 1.00 14.21 C ATOM 544 O THR A 55 -16.122 -20.379 2.620 1.00 11.42 O ATOM 545 CB THR A 55 -13.512 -21.641 3.828 1.00 71.23 C ATOM 546 OG1 THR A 55 -12.140 -22.046 3.892 1.00 50.14 O ATOM 547 CG2 THR A 55 -14.413 -22.848 4.046 1.00 43.32 C ATOM 0 H THR A 55 -11.924 -20.066 2.636 1.00 52.34 H new ATOM 0 HA THR A 55 -14.088 -21.749 1.751 1.00 53.21 H new ATOM 0 HB THR A 55 -13.712 -20.911 4.613 1.00 71.23 H new ATOM 0 HG1 THR A 55 -11.963 -22.464 4.760 1.00 50.14 H new ATOM 0 HG21 THR A 55 -14.189 -23.299 5.013 1.00 43.32 H new ATOM 0 HG22 THR A 55 -15.456 -22.532 4.026 1.00 43.32 H new ATOM 0 HG23 THR A 55 -14.240 -23.579 3.256 1.00 43.32 H new ATOM 555 N ARG A 56 -14.615 -18.716 2.785 1.00 43.23 N ATOM 556 CA ARG A 56 -15.620 -17.673 2.952 1.00 70.32 C ATOM 557 C ARG A 56 -15.526 -16.642 1.831 1.00 64.21 C ATOM 558 O ARG A 56 -15.142 -15.494 2.060 1.00 70.25 O ATOM 559 CB ARG A 56 -15.452 -16.985 4.308 1.00 65.23 C ATOM 560 CG ARG A 56 -15.269 -17.955 5.464 1.00 3.40 C ATOM 561 CD ARG A 56 -15.684 -17.329 6.786 1.00 34.23 C ATOM 562 NE ARG A 56 -14.645 -16.460 7.331 1.00 21.25 N ATOM 563 CZ ARG A 56 -13.549 -16.912 7.931 1.00 32.04 C ATOM 564 NH1 ARG A 56 -13.351 -18.216 8.062 1.00 20.41 N ATOM 565 NH2 ARG A 56 -12.649 -16.058 8.402 1.00 62.33 N ATOM 0 H ARG A 56 -13.652 -18.379 2.797 1.00 43.23 H new ATOM 0 HA ARG A 56 -16.603 -18.141 2.909 1.00 70.32 H new ATOM 0 HB2 ARG A 56 -14.590 -16.319 4.264 1.00 65.23 H new ATOM 0 HB3 ARG A 56 -16.326 -16.363 4.501 1.00 65.23 H new ATOM 0 HG2 ARG A 56 -15.860 -18.853 5.284 1.00 3.40 H new ATOM 0 HG3 ARG A 56 -14.226 -18.265 5.519 1.00 3.40 H new ATOM 0 HD2 ARG A 56 -16.599 -16.754 6.643 1.00 34.23 H new ATOM 0 HD3 ARG A 56 -15.911 -18.117 7.504 1.00 34.23 H new ATOM 0 HE ARG A 56 -14.767 -15.451 7.247 1.00 21.25 H new ATOM 0 HH11 ARG A 56 -14.041 -18.875 7.702 1.00 20.41 H new ATOM 0 HH12 ARG A 56 -12.509 -18.560 8.523 1.00 20.41 H new ATOM 0 HH21 ARG A 56 -12.798 -15.054 8.304 1.00 62.33 H new ATOM 0 HH22 ARG A 56 -11.808 -16.406 8.862 1.00 62.33 H new ATOM 579 N LEU A 57 -15.877 -17.059 0.620 1.00 60.14 N ATOM 580 CA LEU A 57 -15.832 -16.172 -0.538 1.00 24.32 C ATOM 581 C LEU A 57 -17.172 -15.474 -0.742 1.00 33.03 C ATOM 582 O LEU A 57 -18.228 -16.052 -0.487 1.00 34.13 O ATOM 583 CB LEU A 57 -15.458 -16.960 -1.794 1.00 62.35 C ATOM 584 CG LEU A 57 -14.731 -16.176 -2.887 1.00 52.44 C ATOM 585 CD1 LEU A 57 -13.896 -17.109 -3.749 1.00 64.41 C ATOM 586 CD2 LEU A 57 -15.727 -15.406 -3.743 1.00 2.43 C ATOM 0 H LEU A 57 -16.196 -18.006 0.414 1.00 60.14 H new ATOM 0 HA LEU A 57 -15.072 -15.412 -0.353 1.00 24.32 H new ATOM 0 HB2 LEU A 57 -14.829 -17.800 -1.498 1.00 62.35 H new ATOM 0 HB3 LEU A 57 -16.369 -17.379 -2.220 1.00 62.35 H new ATOM 0 HG LEU A 57 -14.062 -15.460 -2.409 1.00 52.44 H new ATOM 0 HD11 LEU A 57 -13.386 -16.532 -4.521 1.00 64.41 H new ATOM 0 HD12 LEU A 57 -13.158 -17.615 -3.127 1.00 64.41 H new ATOM 0 HD13 LEU A 57 -14.545 -17.849 -4.218 1.00 64.41 H new ATOM 0 HD21 LEU A 57 -15.192 -14.854 -4.516 1.00 2.43 H new ATOM 0 HD22 LEU A 57 -16.421 -16.104 -4.211 1.00 2.43 H new ATOM 0 HD23 LEU A 57 -16.282 -14.708 -3.116 1.00 2.43 H new ATOM 598 N GLN A 58 -17.121 -14.229 -1.205 1.00 30.24 N ATOM 599 CA GLN A 58 -18.332 -13.453 -1.444 1.00 71.31 C ATOM 600 C GLN A 58 -18.120 -12.448 -2.571 1.00 54.13 C ATOM 601 O GLN A 58 -17.174 -11.661 -2.546 1.00 20.13 O ATOM 602 CB GLN A 58 -18.757 -12.725 -0.168 1.00 50.30 C ATOM 603 CG GLN A 58 -19.034 -13.656 1.001 1.00 71.31 C ATOM 604 CD GLN A 58 -19.428 -12.911 2.261 1.00 45.32 C ATOM 605 OE1 GLN A 58 -20.602 -12.614 2.479 1.00 35.03 O ATOM 606 NE2 GLN A 58 -18.444 -12.603 3.099 1.00 71.44 N ATOM 0 H GLN A 58 -16.255 -13.736 -1.422 1.00 30.24 H new ATOM 0 HA GLN A 58 -19.123 -14.142 -1.740 1.00 71.31 H new ATOM 0 HB2 GLN A 58 -17.975 -12.021 0.116 1.00 50.30 H new ATOM 0 HB3 GLN A 58 -19.653 -12.139 -0.375 1.00 50.30 H new ATOM 0 HG2 GLN A 58 -19.831 -14.348 0.728 1.00 71.31 H new ATOM 0 HG3 GLN A 58 -18.146 -14.256 1.201 1.00 71.31 H new ATOM 0 HE21 GLN A 58 -17.484 -12.869 2.878 1.00 71.44 H new ATOM 0 HE22 GLN A 58 -18.648 -12.101 3.963 1.00 71.44 H new ATOM 615 N VAL A 59 -19.008 -12.480 -3.560 1.00 41.34 N ATOM 616 CA VAL A 59 -18.919 -11.571 -4.697 1.00 2.21 C ATOM 617 C VAL A 59 -19.067 -10.120 -4.253 1.00 53.22 C ATOM 618 O VAL A 59 -19.877 -9.806 -3.382 1.00 11.20 O ATOM 619 CB VAL A 59 -19.995 -11.886 -5.753 1.00 43.32 C ATOM 620 CG1 VAL A 59 -19.877 -13.328 -6.222 1.00 34.15 C ATOM 621 CG2 VAL A 59 -21.383 -11.608 -5.198 1.00 34.24 C ATOM 0 H VAL A 59 -19.797 -13.125 -3.597 1.00 41.34 H new ATOM 0 HA VAL A 59 -17.933 -11.714 -5.140 1.00 2.21 H new ATOM 0 HB VAL A 59 -19.837 -11.236 -6.613 1.00 43.32 H new ATOM 0 HG11 VAL A 59 -20.645 -13.532 -6.968 1.00 34.15 H new ATOM 0 HG12 VAL A 59 -18.893 -13.488 -6.662 1.00 34.15 H new ATOM 0 HG13 VAL A 59 -20.008 -13.999 -5.373 1.00 34.15 H new ATOM 0 HG21 VAL A 59 -22.131 -11.836 -5.957 1.00 34.24 H new ATOM 0 HG22 VAL A 59 -21.555 -12.231 -4.320 1.00 34.24 H new ATOM 0 HG23 VAL A 59 -21.459 -10.557 -4.918 1.00 34.24 H new ATOM 631 N GLY A 60 -18.279 -9.237 -4.860 1.00 21.43 N ATOM 632 CA GLY A 60 -18.338 -7.829 -4.514 1.00 72.22 C ATOM 633 C GLY A 60 -17.432 -7.479 -3.351 1.00 31.14 C ATOM 634 O GLY A 60 -17.840 -6.773 -2.429 1.00 53.44 O ATOM 0 H GLY A 60 -17.601 -9.472 -5.585 1.00 21.43 H new ATOM 0 HA2 GLY A 60 -18.056 -7.233 -5.382 1.00 72.22 H new ATOM 0 HA3 GLY A 60 -19.365 -7.562 -4.264 1.00 72.22 H new ATOM 638 N GLN A 61 -16.200 -7.976 -3.392 1.00 1.23 N ATOM 639 CA GLN A 61 -15.235 -7.713 -2.331 1.00 0.23 C ATOM 640 C GLN A 61 -13.896 -7.270 -2.910 1.00 42.44 C ATOM 641 O GLN A 61 -13.377 -7.884 -3.842 1.00 60.44 O ATOM 642 CB GLN A 61 -15.042 -8.960 -1.467 1.00 34.32 C ATOM 643 CG GLN A 61 -14.173 -8.724 -0.242 1.00 61.34 C ATOM 644 CD GLN A 61 -14.335 -9.807 0.806 1.00 31.11 C ATOM 645 OE1 GLN A 61 -14.922 -9.580 1.864 1.00 14.22 O ATOM 646 NE2 GLN A 61 -13.814 -10.994 0.517 1.00 11.13 N ATOM 0 H GLN A 61 -15.847 -8.563 -4.148 1.00 1.23 H new ATOM 0 HA GLN A 61 -15.627 -6.907 -1.711 1.00 0.23 H new ATOM 0 HB2 GLN A 61 -16.018 -9.323 -1.145 1.00 34.32 H new ATOM 0 HB3 GLN A 61 -14.594 -9.746 -2.074 1.00 34.32 H new ATOM 0 HG2 GLN A 61 -13.128 -8.673 -0.547 1.00 61.34 H new ATOM 0 HG3 GLN A 61 -14.425 -7.759 0.197 1.00 61.34 H new ATOM 0 HE21 GLN A 61 -13.336 -11.138 -0.372 1.00 11.13 H new ATOM 0 HE22 GLN A 61 -13.892 -11.761 1.184 1.00 11.13 H new ATOM 655 N VAL A 62 -13.341 -6.198 -2.353 1.00 25.21 N ATOM 656 CA VAL A 62 -12.061 -5.673 -2.814 1.00 10.20 C ATOM 657 C VAL A 62 -10.897 -6.393 -2.143 1.00 31.22 C ATOM 658 O VAL A 62 -11.007 -6.841 -1.001 1.00 23.10 O ATOM 659 CB VAL A 62 -11.943 -4.162 -2.539 1.00 3.02 C ATOM 660 CG1 VAL A 62 -11.929 -3.891 -1.042 1.00 64.21 C ATOM 661 CG2 VAL A 62 -10.697 -3.596 -3.203 1.00 42.21 C ATOM 0 H VAL A 62 -13.758 -5.676 -1.582 1.00 25.21 H new ATOM 0 HA VAL A 62 -12.018 -5.844 -3.890 1.00 10.20 H new ATOM 0 HB VAL A 62 -12.813 -3.663 -2.966 1.00 3.02 H new ATOM 0 HG11 VAL A 62 -11.845 -2.818 -0.867 1.00 64.21 H new ATOM 0 HG12 VAL A 62 -12.853 -4.260 -0.597 1.00 64.21 H new ATOM 0 HG13 VAL A 62 -11.079 -4.400 -0.588 1.00 64.21 H new ATOM 0 HG21 VAL A 62 -10.629 -2.527 -2.999 1.00 42.21 H new ATOM 0 HG22 VAL A 62 -9.814 -4.098 -2.807 1.00 42.21 H new ATOM 0 HG23 VAL A 62 -10.754 -3.756 -4.280 1.00 42.21 H new ATOM 671 N ILE A 63 -9.783 -6.501 -2.859 1.00 11.21 N ATOM 672 CA ILE A 63 -8.598 -7.166 -2.332 1.00 1.44 C ATOM 673 C ILE A 63 -7.323 -6.510 -2.852 1.00 21.51 C ATOM 674 O ILE A 63 -7.375 -5.548 -3.616 1.00 11.54 O ATOM 675 CB ILE A 63 -8.580 -8.661 -2.700 1.00 14.11 C ATOM 676 CG1 ILE A 63 -8.632 -8.835 -4.219 1.00 72.01 C ATOM 677 CG2 ILE A 63 -9.745 -9.383 -2.039 1.00 2.15 C ATOM 678 CD1 ILE A 63 -8.057 -10.150 -4.697 1.00 4.14 C ATOM 0 H ILE A 63 -9.676 -6.136 -3.806 1.00 11.21 H new ATOM 0 HA ILE A 63 -8.638 -7.069 -1.247 1.00 1.44 H new ATOM 0 HB ILE A 63 -7.651 -9.099 -2.334 1.00 14.11 H new ATOM 0 HG12 ILE A 63 -9.668 -8.759 -4.550 1.00 72.01 H new ATOM 0 HG13 ILE A 63 -8.086 -8.017 -4.689 1.00 72.01 H new ATOM 0 HG21 ILE A 63 -9.719 -10.439 -2.309 1.00 2.15 H new ATOM 0 HG22 ILE A 63 -9.668 -9.283 -0.956 1.00 2.15 H new ATOM 0 HG23 ILE A 63 -10.684 -8.945 -2.378 1.00 2.15 H new ATOM 0 HD11 ILE A 63 -8.127 -10.204 -5.783 1.00 4.14 H new ATOM 0 HD12 ILE A 63 -7.012 -10.220 -4.397 1.00 4.14 H new ATOM 0 HD13 ILE A 63 -8.618 -10.974 -4.256 1.00 4.14 H new ATOM 690 N ASN A 64 -6.178 -7.041 -2.434 1.00 34.23 N ATOM 691 CA ASN A 64 -4.889 -6.509 -2.859 1.00 2.25 C ATOM 692 C ASN A 64 -4.212 -7.450 -3.850 1.00 63.02 C ATOM 693 O ASN A 64 -4.256 -8.670 -3.694 1.00 72.41 O ATOM 694 CB ASN A 64 -3.981 -6.287 -1.647 1.00 61.31 C ATOM 695 CG ASN A 64 -4.117 -4.891 -1.070 1.00 63.43 C ATOM 696 OD1 ASN A 64 -3.712 -3.909 -1.692 1.00 52.20 O ATOM 697 ND2 ASN A 64 -4.688 -4.798 0.125 1.00 72.23 N ATOM 0 H ASN A 64 -6.117 -7.839 -1.802 1.00 34.23 H new ATOM 0 HA ASN A 64 -5.064 -5.554 -3.354 1.00 2.25 H new ATOM 0 HB2 ASN A 64 -4.222 -7.020 -0.877 1.00 61.31 H new ATOM 0 HB3 ASN A 64 -2.944 -6.458 -1.937 1.00 61.31 H new ATOM 0 HD21 ASN A 64 -4.806 -3.885 0.564 1.00 72.23 H new ATOM 0 HD22 ASN A 64 -5.009 -5.640 0.604 1.00 72.23 H new ATOM 704 N VAL A 65 -3.584 -6.874 -4.871 1.00 13.03 N ATOM 705 CA VAL A 65 -2.896 -7.661 -5.887 1.00 51.54 C ATOM 706 C VAL A 65 -1.591 -6.994 -6.308 1.00 12.20 C ATOM 707 O VAL A 65 -1.413 -5.783 -6.175 1.00 41.22 O ATOM 708 CB VAL A 65 -3.780 -7.865 -7.132 1.00 63.22 C ATOM 709 CG1 VAL A 65 -4.823 -8.942 -6.875 1.00 50.15 C ATOM 710 CG2 VAL A 65 -4.441 -6.556 -7.537 1.00 21.22 C ATOM 0 H VAL A 65 -3.538 -5.865 -5.016 1.00 13.03 H new ATOM 0 HA VAL A 65 -2.678 -8.632 -5.442 1.00 51.54 H new ATOM 0 HB VAL A 65 -3.147 -8.195 -7.956 1.00 63.22 H new ATOM 0 HG11 VAL A 65 -5.438 -9.072 -7.765 1.00 50.15 H new ATOM 0 HG12 VAL A 65 -4.325 -9.882 -6.637 1.00 50.15 H new ATOM 0 HG13 VAL A 65 -5.455 -8.645 -6.038 1.00 50.15 H new ATOM 0 HG21 VAL A 65 -5.062 -6.719 -8.418 1.00 21.22 H new ATOM 0 HG22 VAL A 65 -5.062 -6.193 -6.718 1.00 21.22 H new ATOM 0 HG23 VAL A 65 -3.674 -5.816 -7.766 1.00 21.22 H new ATOM 720 N PRO A 66 -0.655 -7.801 -6.829 1.00 32.24 N ATOM 721 CA PRO A 66 0.650 -7.311 -7.281 1.00 23.22 C ATOM 722 C PRO A 66 0.545 -6.459 -8.541 1.00 11.23 C ATOM 723 O PRO A 66 0.451 -6.983 -9.651 1.00 53.31 O ATOM 724 CB PRO A 66 1.431 -8.596 -7.568 1.00 62.02 C ATOM 725 CG PRO A 66 0.387 -9.615 -7.867 1.00 73.33 C ATOM 726 CD PRO A 66 -0.800 -9.255 -7.017 1.00 4.54 C ATOM 0 HA PRO A 66 1.122 -6.665 -6.540 1.00 23.22 H new ATOM 0 HB2 PRO A 66 2.110 -8.466 -8.410 1.00 62.02 H new ATOM 0 HB3 PRO A 66 2.038 -8.890 -6.712 1.00 62.02 H new ATOM 0 HG2 PRO A 66 0.126 -9.607 -8.925 1.00 73.33 H new ATOM 0 HG3 PRO A 66 0.743 -10.618 -7.634 1.00 73.33 H new ATOM 0 HD2 PRO A 66 -1.739 -9.505 -7.511 1.00 4.54 H new ATOM 0 HD3 PRO A 66 -0.789 -9.787 -6.065 1.00 4.54 H new ATOM 734 N CYS A 67 0.562 -5.142 -8.362 1.00 31.21 N ATOM 735 CA CYS A 67 0.468 -4.216 -9.484 1.00 63.20 C ATOM 736 C CYS A 67 1.525 -4.531 -10.539 1.00 21.32 C ATOM 737 O CYS A 67 2.640 -4.012 -10.488 1.00 63.21 O ATOM 738 CB CYS A 67 0.631 -2.775 -8.998 1.00 0.22 C ATOM 739 SG CYS A 67 -0.211 -1.539 -10.038 1.00 75.54 S ATOM 0 H CYS A 67 0.640 -4.692 -7.450 1.00 31.21 H new ATOM 0 HA CYS A 67 -0.517 -4.331 -9.936 1.00 63.20 H new ATOM 0 HB2 CYS A 67 0.247 -2.700 -7.981 1.00 0.22 H new ATOM 0 HB3 CYS A 67 1.693 -2.535 -8.956 1.00 0.22 H new TER 744 CYS A 67